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Sample records for conformable flexible large-area

  1. Conformable, flexible, large-area networks of pressure and thermal sensors with organic transistor active matrixes

    NASA Astrophysics Data System (ADS)

    Someya, Takao; Kato, Yusaku; Sekitani, Tsuyoshi; Iba, Shingo; Noguchi, Yoshiaki; Murase, Yousuke; Kawaguchi, Hiroshi; Sakurai, Takayasu

    2005-08-01

    Skin-like sensitivity, or the capability to recognize tactile information, will be an essential feature of future generations of robots, enabling them to operate in unstructured environments. Recently developed large-area pressure sensors made with organic transistors have been proposed for electronic artificial skin (E-skin) applications. These sensors are bendable down to a 2-mm radius, a size that is sufficiently small for the fabrication of human-sized robot fingers. Natural human skin, however, is far more complex than the transistor-based imitations demonstrated so far. It performs other functions, including thermal sensing. Furthermore, without conformability, the application of E-skin on three-dimensional surfaces is impossible. In this work, we have successfully developed conformable, flexible, large-area networks of thermal and pressure sensors based on an organic semiconductor. A plastic film with organic transistor-based electronic circuits is processed to form a net-shaped structure, which allows the E-skin films to be extended by 25%. The net-shaped pressure sensor matrix was attached to the surface of an egg, and pressure images were successfully obtained in this configuration. Then, a similar network of thermal sensors was developed with organic semiconductors. Next, the possible implementation of both pressure and thermal sensors on the surfaces is presented, and, by means of laminated sensor networks, the distributions of pressure and temperature are simultaneously obtained. Author contributions: T. Someya designed research; T. Someya, Y.K., T. Sekitani, S.I., Y.N., Y.M., H.K., and T. Sakurai performed research; and T. Someya wrote the paper.This paper was submitted directly (Track II) to the PNAS office.Freely available online through the PNAS open access option.Abbreviations: E-skin, electronic artificial skin; IDS, source-drain current; PTCDI, 3,4,9,10-perylene-tetracarboxylic-diimide; parylene, polychloro-para-xylylene; CuPc, copper

  2. Large area nanoimprint by substrate conformal imprint lithography (SCIL)

    NASA Astrophysics Data System (ADS)

    Verschuuren, Marc A.; Megens, Mischa; Ni, Yongfeng; van Sprang, Hans; Polman, Albert

    2017-06-01

    Releasing the potential of advanced material properties by controlled structuring materials on sub-100-nm length scales for applications such as integrated circuits, nano-photonics, (bio-)sensors, lasers, optical security, etc. requires new technology to fabricate nano-patterns on large areas (from cm2 to 200 mm up to display sizes) in a cost-effective manner. Conventional high-end optical lithography such as stepper/scanners is highly capital intensive and not flexible towards substrate types. Nanoimprint has had the potential for over 20 years to bring a cost-effective, flexible method for large area nano-patterning. Over the last 3-4 years, nanoimprint has made great progress towards volume production. The main accelerator has been the switch from rigid- to wafer-scale soft stamps and tool improvements for step and repeat patterning. In this paper, we discuss substrate conformal imprint lithography (SCIL), which combines nanometer resolution, low patterns distortion, and overlay alignment, traditionally reserved for rigid stamps, with the flexibility and robustness of soft stamps. This was made possible by a combination of a new soft stamp material, an inorganic resist, combined with an innovative imprint method. Finally, a volume production solution will be presented, which can pattern up to 60 wafers per hour.

  3. Highly conformal SiO2/Al2O3 nanolaminate gas-diffusion barriers for large-area flexible electronics applications.

    PubMed

    Choi, Jin-Hwan; Kim, Young-Min; Park, Young-Wook; Park, Tae-Hyun; Jeong, Jin-Wook; Choi, Hyun-Ju; Song, Eun-Ho; Lee, Jin-Woo; Kim, Cheol-Ho; Ju, Byeong-Kwon

    2010-11-26

    The present study demonstrates a flexible gas-diffusion barrier film, containing an SiO(2)/Al(2)O(3) nanolaminate on a plastic substrate. Highly uniform and conformal coatings can be made by alternating the exposure of a flexible polyethersulfone surface to vapors of SiO(2) and Al(2)O(3), at nanoscale thickness cycles via RF-magnetron sputtering deposition. The calcium degradation test indicates that 24 cycles of a 10/10 nm inorganic bilayer, top-coated by UV-cured resin, greatly enhance the barrier performance, with a permeation rate of 3.79 × 10(-5) g m(-2) day(-1) based on the change in the ohmic behavior of the calcium sensor at 20 °C and 50% relative humidity. Also, the permeation rate for 30 cycles of an 8/8 nm inorganic bilayer coated with UV resin was beyond the limited measurable range of the Ca test at 60 °C and 95% relative humidity. It has been found that such laminate films can effectively suppress the void defects of a single inorganic layer, and are significantly less sensitive against moisture permeation. This nanostructure, fabricated by an RF-sputtering process at room temperature, is verified as being useful for highly water-sensitive organic electronics fabricated on plastic substrates.

  4. Highly conformal SiO2/Al2O3 nanolaminate gas-diffusion barriers for large-area flexible electronics applications

    NASA Astrophysics Data System (ADS)

    Choi, Jin-Hwan; Kim, Young-Min; Park, Young-Wook; Park, Tae-Hyun; Jeong, Jin-Wook; Choi, Hyun-Ju; Song, Eun-Ho; Lee, Jin-Woo; Kim, Cheol-Ho; Ju, Byeong-Kwon

    2010-11-01

    The present study demonstrates a flexible gas-diffusion barrier film, containing an SiO2/Al2O3 nanolaminate on a plastic substrate. Highly uniform and conformal coatings can be made by alternating the exposure of a flexible polyethersulfone surface to vapors of SiO2 and Al2O3, at nanoscale thickness cycles via RF-magnetron sputtering deposition. The calcium degradation test indicates that 24 cycles of a 10/10 nm inorganic bilayer, top-coated by UV-cured resin, greatly enhance the barrier performance, with a permeation rate of 3.79 × 10 - 5 g m - 2 day - 1 based on the change in the ohmic behavior of the calcium sensor at 20 °C and 50% relative humidity. Also, the permeation rate for 30 cycles of an 8/8 nm inorganic bilayer coated with UV resin was beyond the limited measurable range of the Ca test at 60 °C and 95% relative humidity. It has been found that such laminate films can effectively suppress the void defects of a single inorganic layer, and are significantly less sensitive against moisture permeation. This nanostructure, fabricated by an RF-sputtering process at room temperature, is verified as being useful for highly water-sensitive organic electronics fabricated on plastic substrates.

  5. Large area flexible solar array design for Space Shuttle application

    NASA Technical Reports Server (NTRS)

    Souza, C. J.

    1980-01-01

    A large area flexible solar array has been designed for Shuttle power augmentation. The solar array utilizes large area, low cost, weldable solar cells. The paper addresses how the unique requirements of this system are implemented into the design. Economic and reliability issues relating to the optimization of a large area, foldable solar array concomitant to the Shuttle/Orbiter system are reviewed.

  6. Gravure printing of graphene for large-area flexible electronics.

    PubMed

    Secor, Ethan B; Lim, Sooman; Zhang, Heng; Frisbie, C Daniel; Francis, Lorraine F; Hersam, Mark C

    2014-07-09

    Gravure printing of graphene is demonstrated for the rapid production of conductive patterns on flexible substrates. Development of suitable inks and printing parameters enables the fabrication of patterns with a resolution down to 30 μm. A mild annealing step yields conductive lines with high reliability and uniformity, providing an efficient method for the integration of graphene into large-area printed and flexible electronics.

  7. Semiconductor-based, large-area, flexible, electronic devices

    DOEpatents

    Goyal, Amit

    2011-03-15

    Novel articles and methods to fabricate the same resulting in flexible, large-area, triaxially textured, single-crystal or single-crystal-like, semiconductor-based, electronic devices are disclosed. Potential applications of resulting articles are in areas of photovoltaic devices, flat-panel displays, thermophotovoltaic devices, ferroelectric devices, light emitting diode devices, computer hard disc drive devices, magnetoresistance based devices, photoluminescence based devices, non-volatile memory devices, dielectric devices, thermoelectric devices and quantum dot laser devices.

  8. Large area flexible SERS active substrates using engineered nanostructures

    NASA Astrophysics Data System (ADS)

    Chung, Aram J.; Huh, Yun Suk; Erickson, David

    2011-07-01

    Surface enhanced Raman scattering (SERS) is an analytical sensing method that provides label-free detection, molecularly specific information, and extremely high sensitivity. The Raman enhancement that makes this method attractive is mainly attributed to the local amplification of the incident electromagnetic field that occurs when a surface plasmon mode is excited at a metallic nanostructure. Here, we present a simple, cost effective method for creating flexible, large area SERS-active substrates using a new technique we call shadow mask assisted evaporation (SMAE). The advantage of large, flexible SERS substrates such as these is they have more area for multiplexing and can be incorporated into irregular surfaces such as clothing. We demonstrate the formation of four different types of nanostructure arrays (pillar, nib, ellipsoidal cylinder, and triangular tip) by controlling the evaporation angle, substrate rotation, and deposition rate of metals onto anodized alumina nanoporous membranes as large as 27 mm. In addition, we present experimental results showing how a hybrid structure comprising of gold nanospheres embedded in a silver nano-pillar structure can be used to obtain a 50× SERS enhancement over the raw nanoparticles themselves.Surface enhanced Raman scattering (SERS) is an analytical sensing method that provides label-free detection, molecularly specific information, and extremely high sensitivity. The Raman enhancement that makes this method attractive is mainly attributed to the local amplification of the incident electromagnetic field that occurs when a surface plasmon mode is excited at a metallic nanostructure. Here, we present a simple, cost effective method for creating flexible, large area SERS-active substrates using a new technique we call shadow mask assisted evaporation (SMAE). The advantage of large, flexible SERS substrates such as these is they have more area for multiplexing and can be incorporated into irregular surfaces such as

  9. Large area flexible plasma-sphere displays for military applications

    NASA Astrophysics Data System (ADS)

    Wedding, C.

    2005-05-01

    Imaging Systems Technology (IST) is engaged in the research and development of large flexible displays using Plasmaspheres as the pixel element. Plasma-spheres are hollow spheres formed of glass containing an ionizable gas. Plasmaspheres are ultra rugged and lightweight. Thus displays made with Plasma-spheres may be made ultra rugged and lightweight. Plasma-sphere displays can be economically mass-produced with low cost roll-to-roll process. They can also be economically produced in low quantities using batch process. Because these displays are lightweight, rugged, and low cost they will find application in rugged military and industrial environments. Additionally, because they can be very large and flexible, they will find future applications in emergent technologies such as large conformable displays for simulators, large command and control centers, or field deployable systems. Currently, IST has successfully demonstrated small flexible monochrome and color Plasmas-sphere displays. In this paper, IST will report on current research progress including the development of a 20" flexible prototype.

  10. Large area flexible SERS active substrates using engineered nanostructures.

    PubMed

    Chung, Aram J; Huh, Yun Suk; Erickson, David

    2011-07-01

    Surface enhanced Raman scattering (SERS) is an analytical sensing method that provides label-free detection, molecularly specific information, and extremely high sensitivity. The Raman enhancement that makes this method attractive is mainly attributed to the local amplification of the incident electromagnetic field that occurs when a surface plasmon mode is excited at a metallic nanostructure. Here, we present a simple, cost effective method for creating flexible, large area SERS-active substrates using a new technique we call shadow mask assisted evaporation (SMAE). The advantage of large, flexible SERS substrates such as these is they have more area for multiplexing and can be incorporated into irregular surfaces such as clothing. We demonstrate the formation of four different types of nanostructure arrays (pillar, nib, ellipsoidal cylinder, and triangular tip) by controlling the evaporation angle, substrate rotation, and deposition rate of metals onto anodized alumina nanoporous membranes as large as 27 mm. In addition, we present experimental results showing how a hybrid structure comprising of gold nanospheres embedded in a silver nano-pillar structure can be used to obtain a 50× SERS enhancement over the raw nanoparticles themselves.

  11. Fabrication of large area flexible nanoplasmonic templates with flow coating

    NASA Astrophysics Data System (ADS)

    Huang, Qian; Devetter, Brent M.; Roosendaal, Timothy; LaBerge, Max; Bernacki, Bruce E.; Alvine, Kyle J.

    2017-07-01

    We describe the development of a custom-built two-axis flow coater for the deposition of polymeric nanosphere monolayers that could be used in the fabrication of large area nanoplasmonic films. The technique described here has the capability of depositing large areas (up to 7 in. × 10 in.) of self-assembled monolayers of polymeric nanospheres onto polyethylene terephthalate (PET) films. Here, three sets of films consisting of different diameters (ranging from 100 to 300 nm) of polymeric nanospheres were used to demonstrate the capabilities of this instrument. To improve the surface wettability of the PET substrates during wet-deposition, we enhanced the wettability by using a forced air blown-arc plasma treatment system. Both the local microstructure, as confirmed by scanning electron microscopy, describing monolayer and multilayer coverage, and the overall macroscopic uniformity of the resultant nanostructured film were optimized by controlling the relative stage to blade speed and nanosphere concentration. We also show using a smaller nanoparticle template that such monolayers can be used to form nanoplasmonic films. As this flow-coating approach is a scalable technique, large area films such as the ones described here have a variety of crucial emerging applications in areas such as energy, catalysis, and chemical sensing.

  12. High-efficiency large area flexible organic solar cells

    NASA Astrophysics Data System (ADS)

    Lemaitre, Noëlla; de Bettignies, Rémi; Bailly, Séverine; Maisse, Pascal; Cros, Stéphane; Guillerez, Stéphane

    2008-08-01

    We report on the realization of high-efficiency bulk heterojunction PV devices based on P3HT/PCBM on transparent plastic substrates, from one elementary cell to large area modules, and we compare with results obtained on glass. The first target consists in the optimisation of the processing parameters in order to obtain the highest possible Power Conversion Efficiency (PCE) values for individual cells. We have reached PCE close to 4% with small dispersion on plastic substrates for cells of 0.28 cm2 active area, compared to 5% on glass. Modules of multiple cells are then elaborated on 5x5 cm substrates with a design aimed to minimize ohmic losses, and interconnection resistances. For glass module, with 12 individual cells on a 5x5 cm2 substrate we obtain PCE of 3.26 % (12.4 cm2 active surface). Larger modules with active area up to 35 cm2 exhibiting PCE of 2.8 % and open circuit voltage higher than 6V are also demonstrated for glass, approaching the requirements for commercial electronic applications. On PET, record efficiency of 2.85 % is obtained for a 8.8 cm2 module and PCE of 2.52 % is demonstrated for a large area module with 53 cm2 active surface. The influence of the geometric parameters of the individual cells and their type of connection (parallel or series) on the module characteristics is also discussed.

  13. Conformational flexibility of aspartame.

    PubMed

    Toniolo, Claudio; Temussi, Pierandrea

    2016-05-01

    L-Aspartyl-L-phenylalanine methyl ester, better known as aspartame, is not only one of the most used artificial sweeteners, but also a very interesting molecule with respect to the correlation between molecular structure and taste. The extreme conformational flexibility of this dipeptide posed a huge difficulty when researchers tried to use it as a lead compound to design new sweeteners. In particular, it was difficult to take advantage of its molecular model as a mold to infer the shape of the, then unknown, active site of the sweet taste receptor. Here, we follow the story of the 3D structural aspects of aspartame from early conformational studies to recent docking into homology models of the receptor. © 2016 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 376-384, 2016. © 2016 Wiley Periodicals, Inc.

  14. Large-Area Polyimide/SWCNT Nanocable Cathode for Flexible Lithium-Ion Batteries.

    PubMed

    Wu, Haiping; Meng, Qinghai; Yang, Qian; Zhang, Miao; Lu, Kun; Wei, Zhixiang

    2015-11-04

    A large-area flexible polymer electrode is fabricated using a new type of polyimide/single-walled carbon nanotube (SWCNT) nanocable composite. SWCNTs serve as the current collector and conductive network, and polyimide nanoparticles anchored on carbon nanotubes act as active materials. The electrode shows superior rate performance, good cycling stability, and high flexibility. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Synthesis of Large Area Graphene for High Performance in Flexible Optoelectronic Devices

    PubMed Central

    Polat, Emre O.; Balci, Osman; Kakenov, Nurbek; Uzlu, Hasan Burkay; Kocabas, Coskun; Dahiya, Ravinder

    2015-01-01

    This work demonstrates an attractive low-cost route to obtain large area and high-quality graphene films by using the ultra-smooth copper foils which are typically used as the negative electrodes in lithium-ion batteries. We first compared the electronic transport properties of our new graphene film with the one synthesized by using commonly used standard copper foils in chemical vapor deposition (CVD). We observed a stark improvement in the electrical performance of the transistors realized on our graphene films. To study the optical properties on large area, we transferred CVD based graphene to transparent flexible substrates using hot lamination method and performed large area optical scanning. We demonstrate the promise of our high quality graphene films for large areas with ~400 cm2 flexible optical modulators. We obtained a profound light modulation over a broad spectrum by using the fabricated large area transparent graphene supercapacitors and we compared the performance of our devices with the one based on graphene from standard copper. We propose that the copper foils used in the lithium-ion batteries could be used to obtain high-quality graphene at much lower-cost, with the improved performance of electrical transport and optical properties in the devices made from them. PMID:26578425

  16. [100] or [110] aligned, semiconductor-based, large-area, flexible, electronic devices

    SciTech Connect

    Goyal, Amit

    2015-03-24

    Novel articles and methods to fabricate the same resulting in flexible, large-area, [100] or [110] textured, semiconductor-based, electronic devices are disclosed. Potential applications of resulting articles are in areas of photovoltaic devices, flat-panel displays, thermophotovoltaic devices, ferroelectric devices, light emitting diode devices, computer hard disc drive devices, magnetoresistance based devices, photoluminescence based devices, non-volatile memory devices, dielectric devices, thermoelectric devices and quantum dot laser devices.

  17. Large-Area Accurate Position Registry of Microparticles on Flexible, Stretchable Substrates Using Elastomer Templates.

    PubMed

    Koh, Kunsuk; Hwang, Hyejin; Park, Choojin; Lee, Jae Yong; Jeon, Tae Yoon; Kim, Shin-Hyun; Kim, Jin Kon; Jeong, Unyong

    2016-10-04

    This work introduces a robust means for excellent position registry of microparticles via a forced assembly technique on flexible or stretchable substrates. It is based on the dry powder rubbing process which allows assembly of a microparticle monolayer in a short time without requiring any solvent or thermal treatment. Elastic physical templates are used as substrates for the forced assembly in this study. Since the elastic templates can reduce the stress accumulation between the closely packed particles, they can minimize the defect formation in the particle assembly in large areas. The method can be used with powders comprising irregularly shaped particles with a relatively large size distribution that cannot be periodically ordered by conventional self-assembly. Furthermore, a non-closely packed particle array can be fabricated readily in large area, which is highly desirable for practical uses of the particle monolayers. The particle monolayers formed on the elastomer templates can be transferred to surfaces coated with thermoplastic block copolymers. Once transferred, the particle monolayers are flexible and stretchable over their entire surface. This work uses the particle monolayers on a large-area flexible substrate as photomasks to produce various photoresist patterns.

  18. Large-area, uniform white light LED source on a flexible substrate.

    PubMed

    Sher, Chin-Wei; Chen, Kuo-Ju; Lin, Chien-Chung; Han, Hau-Vei; Lin, Huang-Yu; Tu, Zong-Yi; Tu, Hsien-Hao; Honjo, Keiji; Jiang, Hsin-Yi; Ou, Sin-Liang; Horng, Ray-Hua; Li, Xiuling; Fu, Chien-Chung; Kuo, Hao-Chung

    2015-09-21

    This study demonstrates the flexible white LED structure with high lumen efficiency and uniform optical performance for neutral white and warm white CCT. Flip-chip LEDs were attached on a polyimide substrate with copper strips as electrical and thermal conduction paths. Yellow phosphors are mixed with polydimenthysiloxane (PDMS) to provide mechanical support and flexibility. The light efficiency of this device can reach 120 lm/W and 85% of light output uniformity of the emission area can be achieved. Moreover, the optical simulation is employed to evaluate various designs of this flexible film in order to obtain uniform output. Both the pitch between the individual devices and the thickness of the phosphor film are calculated for optimization purpose. This flexible white LED with high lumen efficiency and good reliability is suitable for the large area fixture in the general lighting applications.

  19. Ultrahigh Performance C60 Nanorod Large Area Flexible Photoconductor Devices via Ultralow Organic and Inorganic Photodoping

    PubMed Central

    Saran, Rinku; Stolojan, Vlad; Curry, Richard J.

    2014-01-01

    One dimensional single-crystal nanorods of C60 possess unique optoelectronic properties including high electron mobility, high photosensitivity and an excellent electron accepting nature. In addition, their rapid large scale synthesis at room temperature makes these organic semiconducting nanorods highly attractive for advanced optoelectronic device applications. Here, we report low-cost large-area flexible photoconductor devices fabricated using C60 nanorods. We demonstrate that the photosensitivity of the C60 nanorods can be enhanced ~400-fold via an ultralow photodoping mechanism. The photodoped devices offer broadband UV-vis-NIR spectral tuneability, exhibit a detectivitiy >109 Jones, an external quantum efficiency of ~100%, a linear dynamic range of 80 dB, a rise time 60 µs and the ability to measure ac signals up to ~250 kHz. These figures of merit combined are among the highest reported for one dimensional organic and inorganic large-area planar photoconductors and are competitive with commercially available inorganic photoconductors and photoconductive cells. With the additional processing benefits providing compatibility with large-area flexible platforms, these devices represent significant advances and make C60 nanorods a promising candidate for advanced photodetector technologies. PMID:24853479

  20. Large area manufacturing of plasmonic colour filters using substrate conformal imprint lithography

    NASA Astrophysics Data System (ADS)

    Rumler, M.; Foerthner, M.; Baier, L.; Evanschitzky, P.; Becker, M.; Rommel, M.; Frey, L.

    2017-06-01

    This work presents the large area fabrication of plasmonic colour filters consisting of subwavelength apertures in aluminium films of different thicknesses. Wafer-scale pattern transfer was realized by a soft lithography technique (substrate conformal imprint lithography). The fabricated colour filters have an active area of up to 145 cm2 which presents a considerable increase compared to previously published results. In addition to experimental investigations, simulations of the transmission behaviour were performed using a rigorous electromagnetic field solver based on an extended RCWA approach. Furthermore, the use of a spin-coated cover layer consisting of the UV-curable hybrid polymer OrmoComp® instead of often applied PECVD-SiO2 was investigated.

  1. Conformable large-area position-sensitive photodetectors based on luminescence-collecting silicone waveguides

    NASA Astrophysics Data System (ADS)

    Bartu, Petr; Koeppe, Robert; Arnold, Nikita; Neulinger, Anton; Fallon, Lisa; Bauer, Siegfried

    2010-06-01

    Position sensitive detection schemes based on the lateral photoeffect rely on inorganic semiconductors. Such position sensitive devices (PSDs) are reliable and robust, but preparation with large active areas is expensive and use on curved substrates is impossible. Here we present a novel route for the fabrication of conformable PSDs which allows easy preparation on large areas, and use on curved surfaces. Our device is based on stretchable silicone waveguides with embedded fluorescent dyes, used in conjunction with small silicon photodiodes. Impinging laser light (e.g., from a laser pointer) is absorbed by the dye in the PSD and re-emitted as fluorescence light at a larger wavelength. Due to the isotropic emission from the fluorescent dye molecules, most of the re-emitted light is coupled into the planar silicone waveguide and directed to the edges of the device. Here the light signals are detected via embedded small silicon photodiodes arranged in a regular pattern. Using a mathematical algorithm derived by extensive using of models from global positioning system (GPS) systems and human activity monitoring, the position of light spots is easily calculated. Additionally, the device shows high durability against mechanical stress, when clamped in an uniaxial stretcher and mechanically loaded up to 15% strain. The ease of fabrication, conformability, and durability of the device suggests its use as interface devices and as sensor skin for future robots.

  2. Method of making large area conformable shape structures for detector/sensor applications using glass drawing technique and postprocessing

    DOEpatents

    Ivanov, Ilia N [Knoxville, TN; Simpson, John T [Clinton, IN

    2012-01-24

    A method of making a large area conformable shape structure comprises drawing a plurality of tubes to form a plurality of drawn tubes, and cutting the plurality of drawn tubes into cut drawn tubes of a predetermined shape. The cut drawn tubes have a first end and a second end along the longitudinal direction of the cut drawn tubes. The method further comprises conforming the first end of the cut drawn tubes into a predetermined curve to form the large area conformable shape structure, wherein the cut drawn tubes contain a material.

  3. Large area Germanium Tin nanometer optical film coatings on highly flexible aluminum substrates

    PubMed Central

    Jin, Lichuan; Zhang, Dainan; Zhang, Huaiwu; Fang, Jue; Liao, Yulong; Zhou, Tingchuan; Liu, Cheng; Zhong, Zhiyong; Harris, Vincent G.

    2016-01-01

    Germanium Tin (GeSn) films have drawn great interest for their visible and near-infrared optoelectronics properties. Here, we demonstrate large area Germanium Tin nanometer thin films grown on highly flexible aluminum foil substrates using low-temperature molecular beam epitaxy (MBE). Ultra-thin (10–180 nm) GeSn film-coated aluminum foils display a wide color spectra with an absorption wavelength ranging from 400–1800 nm due to its strong optical interference effect. The light absorption ratio for nanometer GeSn/Al foil heterostructures can be enhanced up to 85%. Moreover, the structure exhibits excellent mechanical flexibility and can be cut or bent into many shapes, which facilitates a wide range of flexible photonics. Micro-Raman studies reveal a large tensile strain change with GeSn thickness, which arises from lattice deformations. In particular, nano-sized Sn-enriched GeSn dots appeared in the GeSn coatings that had a thickness greater than 50 nm, which induced an additional light absorption depression around 13.89 μm wavelength. These findings are promising for practical flexible photovoltaic and photodetector applications ranging from the visible to near-infrared wavelengths. PMID:27667259

  4. Large area Germanium Tin nanometer optical film coatings on highly flexible aluminum substrates

    NASA Astrophysics Data System (ADS)

    Jin, Lichuan; Zhang, Dainan; Zhang, Huaiwu; Fang, Jue; Liao, Yulong; Zhou, Tingchuan; Liu, Cheng; Zhong, Zhiyong; Harris, Vincent G.

    2016-09-01

    Germanium Tin (GeSn) films have drawn great interest for their visible and near-infrared optoelectronics properties. Here, we demonstrate large area Germanium Tin nanometer thin films grown on highly flexible aluminum foil substrates using low-temperature molecular beam epitaxy (MBE). Ultra-thin (10–180 nm) GeSn film-coated aluminum foils display a wide color spectra with an absorption wavelength ranging from 400–1800 nm due to its strong optical interference effect. The light absorption ratio for nanometer GeSn/Al foil heterostructures can be enhanced up to 85%. Moreover, the structure exhibits excellent mechanical flexibility and can be cut or bent into many shapes, which facilitates a wide range of flexible photonics. Micro-Raman studies reveal a large tensile strain change with GeSn thickness, which arises from lattice deformations. In particular, nano-sized Sn-enriched GeSn dots appeared in the GeSn coatings that had a thickness greater than 50 nm, which induced an additional light absorption depression around 13.89 μm wavelength. These findings are promising for practical flexible photovoltaic and photodetector applications ranging from the visible to near-infrared wavelengths.

  5. Large area Germanium Tin nanometer optical film coatings on highly flexible aluminum substrates.

    PubMed

    Jin, Lichuan; Zhang, Dainan; Zhang, Huaiwu; Fang, Jue; Liao, Yulong; Zhou, Tingchuan; Liu, Cheng; Zhong, Zhiyong; Harris, Vincent G

    2016-09-26

    Germanium Tin (GeSn) films have drawn great interest for their visible and near-infrared optoelectronics properties. Here, we demonstrate large area Germanium Tin nanometer thin films grown on highly flexible aluminum foil substrates using low-temperature molecular beam epitaxy (MBE). Ultra-thin (10-180 nm) GeSn film-coated aluminum foils display a wide color spectra with an absorption wavelength ranging from 400-1800 nm due to its strong optical interference effect. The light absorption ratio for nanometer GeSn/Al foil heterostructures can be enhanced up to 85%. Moreover, the structure exhibits excellent mechanical flexibility and can be cut or bent into many shapes, which facilitates a wide range of flexible photonics. Micro-Raman studies reveal a large tensile strain change with GeSn thickness, which arises from lattice deformations. In particular, nano-sized Sn-enriched GeSn dots appeared in the GeSn coatings that had a thickness greater than 50 nm, which induced an additional light absorption depression around 13.89 μm wavelength. These findings are promising for practical flexible photovoltaic and photodetector applications ranging from the visible to near-infrared wavelengths.

  6. Multi-layered fabrication of large area PDMS flexible optical light guide sheets

    NASA Astrophysics Data System (ADS)

    Green, Robert; Knopf, George K.; Bordatchev, Evgueni V.

    2017-02-01

    Large area polydimethylsiloxane (PDMS) flexible optical light guide sheets can be used to create a variety of passive light harvesting and illumination systems for wearable technology, advanced indoor lighting, non-planar solar light collectors, customized signature lighting, and enhanced safety illumination for motorized vehicles. These thin optically transparent micro-patterned polymer sheets can be draped over a flat or arbitrarily curved surface. The light guiding behavior of the optical light guides depends on the geometry and spatial distribution of micro-optical structures, thickness and shape of the flexible sheet, refractive indices of the constituent layers, and the wavelength of the incident light. A scalable fabrication method that combines soft-lithography, closed thin cavity molding, partial curing, and centrifugal casting is described in this paper for building thin large area multi-layered PDMS optical light guide sheets. The proposed fabrication methodology enables the of internal micro-optical structures (MOSs) in the monolithic PDMS light guide by building the optical system layer-by-layer. Each PDMS layer in the optical light guide can have the similar, or a slightly different, indices of refraction that permit total internal reflection within the optical sheet. The individual molded layers may also be defect free or micro-patterned with microlens or reflecting micro-features. In addition, the bond between adjacent layers is ensured because each layer is only partially cured before the next functional layer is added. To illustrate the scalable build-by-layers fabrication method a three-layer mechanically flexible illuminator with an embedded LED strip is constructed and demonstrated.

  7. Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large-Area and Fiber Geometries.

    PubMed

    Zhitomirsky, David; Grossman, Jeffrey C

    2016-10-05

    There is tremendous growth in fields where small functional molecules and colloidal nanomaterials are integrated into thin films for solid-state device applications. Many of these materials are synthesized in solution and there often exists a significant barrier to transition them into the solid state in an efficient manner. Here, we develop a methodology employing an electrodepositable copolymer consisting of small functional molecules for applications in solar energy harvesting and storage. We employ azobenzene solar thermal fuel polymers and functionalize them to enable deposition from low concentration solutions in methanol, resulting in uniform and large-area thin films. This approach enables conformal deposition on a variety of conducting substrates that can be either flat or structured depending on the application. Our approach further enables control over film growth via electrodepsition conditions and results in highly uniform films of hundreds of nanometers to microns in thickness. We demonstrate that this method enables superior retention of solar thermal fuel properties, with energy densities of ∼90 J/g, chargeability in the solid state, and exceptional materials utilization compared to other solid-state processing approaches. This novel approach is applicable to systems such as photon upconversion, photovoltaics, photosensing, light emission, and beyond, where small functional molecules enable solid-state applications.

  8. Realization of large area flexible fullerene-conjugated polymer photocells: A route to plastic solar cells

    NASA Astrophysics Data System (ADS)

    Brabec, C. J.; Padinger, F.; Dyakonov, V.; Hummelen, J. C.; Janssen, R. A. J.; Sariciftci, N. S.

    1998-08-01

    Various interesting photophysical phenomena in composites of fullerenes and non degenerate ground state conjugated polymers with highly extended π-electrons in their main chain can be explained by the ultrafast electron transfer from the conjugated polymer (donor) to the fullerene (acceptor) upon illumination. This photoeffect was utilized for the production of small area (mm2) photovoltaic devices which show energy conversion efficiencies ηe>1% and carrier collection efficiencies ηc>20%. In this work we present efficiency and stability studies on large area (6 cm by 6 cm) flexible solar cells based on a soluble alkoxy PPV (3,7-dimethyloctyloxy methyloxy poly(phenylenevinylene)) and a highly soluble fullerene derivative, 1-(3-methoxycarbonyl)propyl-1 phenyl [5,6]C61 (PCBM). The enhanced solubility of PCBM compared to C60 allows a high fullerene-conjugated polymer ratio and strongly supports the formation of donor-acceptor bulk heterojunctions.

  9. Large-area, flexible imaging arrays constructed by light-charge organic memories

    PubMed Central

    Zhang, Lei; Wu, Ti; Guo, Yunlong; Zhao, Yan; Sun, Xiangnan; Wen, Yugeng; Yu, Gui; Liu, Yunqi

    2013-01-01

    Existing organic imaging circuits, which offer attractive benefits of light weight, low cost and flexibility, are exclusively based on phototransistor or photodiode arrays. One shortcoming of these photo-sensors is that the light signal should keep invariant throughout the whole pixel-addressing and reading process. As a feasible solution, we synthesized a new charge storage molecule and embedded it into a device, which we call light-charge organic memory (LCOM). In LCOM, the functionalities of photo-sensor and non-volatile memory are integrated. Thanks to the deliberate engineering of electronic structure and self-organization process at the interface, 92% of the stored charges, which are linearly controlled by the quantity of light, retain after 20000 s. The stored charges can also be non-destructively read and erased by a simple voltage program. These results pave the way to large-area, flexible imaging circuits and demonstrate a bright future of small molecular materials in non-volatile memory. PMID:23326636

  10. Large-area, flexible imaging arrays constructed by light-charge organic memories.

    PubMed

    Zhang, Lei; Wu, Ti; Guo, Yunlong; Zhao, Yan; Sun, Xiangnan; Wen, Yugeng; Yu, Gui; Liu, Yunqi

    2013-01-01

    Existing organic imaging circuits, which offer attractive benefits of light weight, low cost and flexibility, are exclusively based on phototransistor or photodiode arrays. One shortcoming of these photo-sensors is that the light signal should keep invariant throughout the whole pixel-addressing and reading process. As a feasible solution, we synthesized a new charge storage molecule and embedded it into a device, which we call light-charge organic memory (LCOM). In LCOM, the functionalities of photo-sensor and non-volatile memory are integrated. Thanks to the deliberate engineering of electronic structure and self-organization process at the interface, 92% of the stored charges, which are linearly controlled by the quantity of light, retain after 20000 s. The stored charges can also be non-destructively read and erased by a simple voltage program. These results pave the way to large-area, flexible imaging circuits and demonstrate a bright future of small molecular materials in non-volatile memory.

  11. Conformational flexibility in biochemical regulation

    SciTech Connect

    Trewhella, J.

    1993-09-01

    Small-angle X-ray and neutron scattering have proven extremely useful for studying the evolutionarily related dumbbell-shaped Ca {sup 2+} -binding proteins calmodulin and troponin C and their interactions with the target proteins whose activity they regulate. Calmodulin contracts about target enzyme binding domains with the common characteristic of having a high propensity for forming a basic, amphipathic a-helix. The contraction is achieved via flexibility in the interconnecting helix region of the molecule that links its two globular domains. This flexibility allows calmodulin to optimize its binding to different arrangements of hydrophobic and charged residues important in forming these complexes. In contrast calmodulin remains extended in its interaction with the catalytic subunit of phosphorylase kinase. There are structural and functional similarities between this interaction and that of troponin C and troponin I. Our most recent neutron scattering experiments confirm our prediction that troponin C also remains extended in this complex. The ability of the dumbbell-shaped Ca {sup 2+} -binding proteins to modulate their conformations via flexibility in the interconnecting helix region in order to accommodate different target binding domains is a remarkable example nature building functional diversity as well as specificity into a compact and unusual shape.

  12. Design and fabrication of a flexible large area fabric transducer for bone healing application

    NASA Astrophysics Data System (ADS)

    Jadidian, Bahram

    The electromechanical transducers have found applications in their either passive or active modes. These applications include hydrophone, medical imaging, nondestructive evaluation, motors, sensors, actuators, civil and aerospace engineering. Other medical applications for ultrasonic transducers include therapeutics, osteosynthesis, lithotripsy, thrombolysis, and transdermal drug administration. During the past few decades, lead zirconate titanate (PZT), has been utilized in transducer applications in the form of a bulk piezoelectric ceramic and/or ceramic-polymer composites because of its high piezoelectric charge coefficient d33. The usage of piezoelectric ceramic/polymer composites allows designers to overcome some of the problems dealing with either monolithic piezoceramics or piezopolymers in transducer applications. In this work, a variety of composites with different connectivity patterns were formed. Composites with 1-3 connectivity were fabricated using bundling and collimating methods. Sized and unsized fibers were woven to form fabric. The fabric was used to form 3-3 composites and spiral structures. Square sheets of the fabric were laminated on top of each other, heat treated, and embedded in different types of polymer. The effect of applied pressure on the stack during heat treatment was studied. Plane fabric was formed in the spiral manner and used to construct piezocomposites. A piezoelectric transducer with high thickness coupling coefficient and its matching layer were exploited for bone healing application. One of the structures with the highest electromechanical properties, developed in this work, was chosen for the array fabrication. The spiral composite elements, with the best properties, were arranged in a 3 x 4 format embedded in a flexible polymer. The mechanical endurance of the elements and the array was studied. A large area flexible matching layer with low attenuation was developed. An extensive study was performed to determine the

  13. Laser Direct Write micro-fabrication of large area electronics on flexible substrates

    NASA Astrophysics Data System (ADS)

    Zacharatos, F.; Makrygianni, M.; Geremia, R.; Biver, E.; Karnakis, D.; Leyder, S.; Puerto, D.; Delaporte, P.; Zergioti, I.

    2016-06-01

    To date, Laser Direct Write (LDW) techniques, such as Laser Induced Forward Transfer (LIFT), selective laser ablation and selective laser sintering of metal nanoparticle (NP) ink layers are receiving growing attention for the printing of uniform and well-defined conductive patterns with resolution down to 10 μm. For flexible substrates in particular, selective laser sintering of such NP patterns has been widely applied, as a low temperature and high resolution process compatible with large area electronics. In this work, LDW of silver NP inks has been carried out on polyethylene-terephthalate (PET), polyethylene-naphthalate (PEN) and polyimide (PI) substrates to achieve low electrical resistivity electrodes. In more detail, high speed short pulsed (picosecond and nanosecond) lasers with repetition rates up to 1 MHz were used to print (LIFT) metal NP inks. We thus achieved uniform and continuous patterns with a minimum feature size of 1 μm and a total footprint larger than 1 cm2. Next, the printed patterns were laser sintered with ns pulses at 532 nm over a wide laser fluence window, resulting in an electrical resistivity of 10 μΩ cm. We carried out spatial beam shaping experiments to achieve a top-hat laser intensity profile and employed selective laser ablation of thin films (thickness on the order of 100 nm) to produce silver micro-electrodes with a resolution on the order of 10 μm and a low line edge roughness. Laser sintering was combined with laser ablation to constitute a fully autonomous micro-patterning technique of metallic micro-features, with a 10 μm resolution and geometrical characteristics tuned for interdigitated electrodes for sensor applications.

  14. A large-area, flexible pressure sensor matrix with organic field-effect transistors for artificial skin applications

    NASA Astrophysics Data System (ADS)

    Someya, Takao; Sekitani, Tsuyoshi; Iba, Shingo; Kato, Yusaku; Kawaguchi, Hiroshi; Sakurai, Takayasu

    2004-07-01

    It is now widely accepted that skin sensitivity will be very important for future robots used by humans in daily life for housekeeping and entertainment purposes. Despite this fact, relatively little progress has been made in the field of pressure recognition compared to the areas of sight and voice recognition, mainly because good artificial "electronic skin" with a large area and mechanical flexibility is not yet available. The fabrication of a sensitive skin consisting of thousands of pressure sensors would require a flexible switching matrix that cannot be realized with present silicon-based electronics. Organic field-effect transistors can substitute for such conventional electronics because organic circuits are inherently flexible and potentially ultralow in cost even for a large area. Thus, integration of organic transistors and rubber pressure sensors, both of which can be produced by low-cost processing technology such as large-area printing technology, will provide an ideal solution to realize a practical artificial skin, whose feasibility has been demonstrated in this paper. Pressure images have been taken by flexible active matrix drivers with organic transistors whose mobility reaches as high as 1.4 cm2/V·s. The device is electrically functional even when it is wrapped around a cylindrical bar with a 2-mm radius.

  15. Flexible, transparent and ultra-broadband photodetector based on large-area WSe2 film for wearable devices.

    PubMed

    Zheng, Zhaoqiang; Zhang, Tanmei; Yao, Jiandomg; Zhang, Yi; Xu, Jiarui; Yang, Guowei

    2016-06-03

    Although two-dimensional (2D) materials have attracted considerable research interest for use in the development of innovative wearable optoelectronic systems, the integrated optoelectronic performance of 2D materials photodetectors, including flexibility, transparency, broadband response and stability in air, remains quite low to date. Here, we demonstrate a flexible, transparent, high-stability and ultra-broadband photodetector made using large-area and highly-crystalline WSe2 films that were prepared by pulsed-laser deposition (PLD). Benefiting from the 2D physics of WSe2 films, this device exhibits excellent average transparency of 72% in the visible range and superior photoresponse characteristics, including an ultra-broadband detection spectral range from 370 to 1064 nm, reversible photoresponsivity approaching 0.92 A W(-1), external quantum efficiency of up to 180% and a relatively fast response time of 0.9 s. The fabricated photodetector also demonstrates outstanding mechanical flexibility and durability in air. Also, because of the wide compatibility of the PLD-grown WSe2 film, we can fabricate various photodetectors on multiple flexible or rigid substrates, and all these devices will exhibit distinctive switching behavior and superior responsivity. These indicate a possible new strategy for the design and integration of flexible, transparent and broadband photodetectors based on large-area WSe2 films, with great potential for practical applications in the wearable optoelectronic devices.

  16. High Responsivity, Large-Area Graphene/MoS2 Flexible Photodetectors

    PubMed Central

    2016-01-01

    We present flexible photodetectors (PDs) for visible wavelengths fabricated by stacking centimeter-scale chemical vapor deposited (CVD) single layer graphene (SLG) and single layer CVD MoS2, both wet transferred onto a flexible polyethylene terephthalate substrate. The operation mechanism relies on injection of photoexcited electrons from MoS2 to the SLG channel. The external responsivity is 45.5A/W and the internal 570A/W at 642 nm. This is at least 2 orders of magnitude higher than bulk-semiconductor flexible membranes. The photoconductive gain is up to 4 × 105. The photocurrent is in the 0.1–100 μA range. The devices are semitransparent, with 8% absorptance at 642 nm, and are stable upon bending to a curvature of 1.4 cm. These capabilities and the low-voltage operation (<1 V) make them attractive for wearable applications. PMID:27537529

  17. High Responsivity, Large-Area Graphene/MoS2 Flexible Photodetectors.

    PubMed

    De Fazio, Domenico; Goykhman, Ilya; Yoon, Duhee; Bruna, Matteo; Eiden, Anna; Milana, Silvia; Sassi, Ugo; Barbone, Matteo; Dumcenco, Dumitru; Marinov, Kolyo; Kis, Andras; Ferrari, Andrea C

    2016-09-27

    We present flexible photodetectors (PDs) for visible wavelengths fabricated by stacking centimeter-scale chemical vapor deposited (CVD) single layer graphene (SLG) and single layer CVD MoS2, both wet transferred onto a flexible polyethylene terephthalate substrate. The operation mechanism relies on injection of photoexcited electrons from MoS2 to the SLG channel. The external responsivity is 45.5A/W and the internal 570A/W at 642 nm. This is at least 2 orders of magnitude higher than bulk-semiconductor flexible membranes. The photoconductive gain is up to 4 × 10(5). The photocurrent is in the 0.1-100 μA range. The devices are semitransparent, with 8% absorptance at 642 nm, and are stable upon bending to a curvature of 1.4 cm. These capabilities and the low-voltage operation (<1 V) make them attractive for wearable applications.

  18. Transparent Large-Area MoS2 Phototransistors with Inkjet-Printed Components on Flexible Platforms.

    PubMed

    Kim, Tae-Young; Ha, Jewook; Cho, Kyungjune; Pak, Jinsu; Seo, Jiseok; Park, Jongjang; Kim, Jae-Keun; Chung, Seungjun; Hong, Yongtaek; Lee, Takhee

    2017-08-28

    Two-dimensional (2D) transition-metal dichalcogenides (TMDCs) have gained considerable attention as an emerging semiconductor due to their promising atomically thin film characteristics with good field-effect mobility and a tunable band gap energy. However, their electronic applications have been generally realized with conventional inorganic electrodes and dielectrics implemented using conventional photolithography or transferring processes that are not compatible with large-area and flexible device applications. To facilitate the advantages of 2D TMDCs in practical applications, strategies for realizing flexible and transparent 2D electronics using low-temperature, large-area, and low-cost processes should be developed. Motivated by this challenge, we report fully printed transparent chemical vapor deposition (CVD)-synthesized monolayer molybdenum disulfide (MoS2) phototransistor arrays on flexible polymer substrates. All the electronic components, including dielectric and electrodes, were directly deposited with mechanically tolerable organic materials by inkjet-printing technology onto transferred monolayer MoS2, and their annealing temperature of <180 °C allows the direct fabrication on commercial flexible substrates without additional assisted-structures. By integrating the soft organic components with ultrathin MoS2, the fully printed MoS2 phototransistors exhibit excellent transparency and mechanically stable operation.

  19. Direct synthesis of large-area continuous ReS2 films on a flexible glass at low temperature

    NASA Astrophysics Data System (ADS)

    Kim, Youngchan; Kang, Byunggil; Choi, Yongsuk; Cho, Jeong Ho; Lee, Changgu

    2017-06-01

    Rhenium disulfide (ReS2) has been attracting attentions due to the direct bandgap regardless of the thickness and anisotropic electrical, mechanical and optical properties deriving from its unique crystal lattice structure. In order to utilize these properties, some synthesis methods of ReS2 have been studied for electronic applications. However, their results are not suitable for practical applications because of non-uniformity, discontinuity and difficulty of large-area continuous film growth. Here, we report the synthesis method of layer-controlled wafer-scale (7  ×  2 cm2) ReS2 films by chemical vapor deposition with high uniformity and continuity. Especially, we demonstrate successfully a direct synthesis of ReS2 on a transparent flexible glass substrate at low synthesis temperature (450 °C) without the aid of a catalyst or a plasma enhanced system. The field effect transistors with as-grown ReS2 films on the flexible glass exhibit typical n-type behavior with low threshold voltage of 0.75 V, high on-off ratio of ~105, low subthreshold swing of 260 mV/decade and mobility of 0.13 cm2 V-1 S-1. The direct synthesis of ReS2 films on flexible glass will provide the platform to realize large area transfer-free fabrication of high quality transparent flexible electronic devices.

  20. Flexible and printable paper-based strain sensors for wearable and large-area green electronics.

    PubMed

    Liao, Xinqin; Zhang, Zheng; Liao, Qingliang; Liang, Qijie; Ou, Yang; Xu, Minxuan; Li, Minghua; Zhang, Guangjie; Zhang, Yue

    2016-07-14

    Paper-based (PB) green electronics is an emerging and potentially game-changing technology due to ease of recycling/disposal, the economics of manufacture and the applicability to flexible electronics. Herein, new-type printable PB strain sensors (PPBSSs) from graphite glue (graphite powder and methylcellulose) have been fabricated. The graphite glue is exposed to thermal annealing to produce surface micro/nano cracks, which are very sensitive to compressive or tensile strain. The devices exhibit a gauge factor of 804.9, response time of 19.6 ms and strain resolution of 0.038%, all performance indicators attaining and even surpassing most of the recently reported strain sensors. Due to the distinctive sensing properties, flexibility and robustness, the PPBSSs are suitable for monitoring of diverse conditions such as structural strain, vibrational motion, human muscular movements and visual control.

  1. Semiconductor-based, large-area, flexible, electronic devices on {110}<100> oriented substrates

    SciTech Connect

    Goyal, Amit

    2014-08-05

    Novel articles and methods to fabricate the same resulting in flexible, oriented, semiconductor-based, electronic devices on {110}<100> textured substrates are disclosed. Potential applications of resulting articles are in areas of photovoltaic devices, flat-panel displays, thermophotovoltaic devices, ferroelectric devices, light emitting diode devices, computer hard disc drive devices, magnetoresistance based devices, photoluminescence based devices, non-volatile memory devices, dielectric devices, thermoelectric devices and quantum dot laser devices.

  2. Flexible and printable paper-based strain sensors for wearable and large-area green electronics

    NASA Astrophysics Data System (ADS)

    Liao, Xinqin; Zhang, Zheng; Liao, Qingliang; Liang, Qijie; Ou, Yang; Xu, Minxuan; Li, Minghua; Zhang, Guangjie; Zhang, Yue

    2016-06-01

    Paper-based (PB) green electronics is an emerging and potentially game-changing technology due to ease of recycling/disposal, the economics of manufacture and the applicability to flexible electronics. Herein, new-type printable PB strain sensors (PPBSSs) from graphite glue (graphite powder and methylcellulose) have been fabricated. The graphite glue is exposed to thermal annealing to produce surface micro/nano cracks, which are very sensitive to compressive or tensile strain. The devices exhibit a gauge factor of 804.9, response time of 19.6 ms and strain resolution of 0.038%, all performance indicators attaining and even surpassing most of the recently reported strain sensors. Due to the distinctive sensing properties, flexibility and robustness, the PPBSSs are suitable for monitoring of diverse conditions such as structural strain, vibrational motion, human muscular movements and visual control.Paper-based (PB) green electronics is an emerging and potentially game-changing technology due to ease of recycling/disposal, the economics of manufacture and the applicability to flexible electronics. Herein, new-type printable PB strain sensors (PPBSSs) from graphite glue (graphite powder and methylcellulose) have been fabricated. The graphite glue is exposed to thermal annealing to produce surface micro/nano cracks, which are very sensitive to compressive or tensile strain. The devices exhibit a gauge factor of 804.9, response time of 19.6 ms and strain resolution of 0.038%, all performance indicators attaining and even surpassing most of the recently reported strain sensors. Due to the distinctive sensing properties, flexibility and robustness, the PPBSSs are suitable for monitoring of diverse conditions such as structural strain, vibrational motion, human muscular movements and visual control. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02172g

  3. Research into the process, materials and tool interaction for large area flexible electronics with micron sized features

    NASA Astrophysics Data System (ADS)

    Zhang, Hao

    By taking the advantage of the flexible nature of flexible substrates, roll-to-roll (R2R) flexible electronics manufacturing will eventually lead to continuous production of high quality and flexible thin film devices with a significant cost reduction. In this work, research has been conducted into the interaction of tooling, material and process for large area flexible electronics with micron sized features. Part one presents the study of precision overlay alignment of micron sized features on unsupported and R2R processed plastic. Azores R2R photolithography tool with dependent materials and processes has been applied to establish the fabrication, registration and overlay on unsupported plastic in pieces and carried by a web. Enabling the use of unsupported plastic film is the first step in understanding the R2R process. Test verniers with up to 0.1 micron measurement precision were used to read the overlay offsets. Micro-sized features with one micron overlay accuracy have been achieved on photoresist coated unsupported 5 mil thick Dupont MelinexRTM ST507 polyethylene terephthalate (PET) substrate. Based on experimental results, a vector model is initially designed to investigate and map the substrate deformation and overlay alignment in R2R photolithography process. The vector model quantifies the significance of elastic deformation caused distortion offsets in the overlay process on R2R based substrates. Part two presents the fabrication and reliability study of flexible chemical sensors with nanoparticle-structured sensing materials. The substrates of flexible chemical sensor with micron-sized features are fabricated in this work. The mechanical reliability of the flexible chemical sensors is initially investigated to test the functionality of the sensors under different working environments. The Accelerate Thermal Cycling (ATC) test, the Deep Thermal Storage (DTS) test and the Immersion test are conducted on the flexible nanoparticle coated sensors.

  4. Large-area compatible fabrication and encapsulation of inkjet-printed humidity sensors on flexible foils with integrated thermal compensation

    NASA Astrophysics Data System (ADS)

    Molina-Lopez, F.; Vásquez Quintero, A.; Mattana, G.; Briand, D.; de Rooij, N. F.

    2013-02-01

    This work presents the simultaneous fabrication of ambient relative humidity (RH) and temperature sensors arrays, inkjet-printed on flexible substrates and subsequently encapsulated at foil level. These sensors are based on planar interdigitated capacitors with an inkjet-printed sensing layer and meander-shaped resistors. Their combination allows the compensation of the RH signals variations at different temperatures. The whole fabrication of the system is carried out at foil level and involves the utilization of additive methods such as inkjet-printing and electrodeposition. Electrodeposition of the printed lines resulted in an improvement of the thermoresistors. The sensors have been characterized and their performances analyzed. The encapsulation layer does not modify the performances of the sensors in terms of sensitivity or response time. This work demonstrates the potential of inkjet-printing in the large-area fabrication of light-weight and cost-efficient gas sensors on flexible substrates.

  5. Printable nanostructured silicon solar cells for high-performance, large-area flexible photovoltaics.

    PubMed

    Lee, Sung-Min; Biswas, Roshni; Li, Weigu; Kang, Dongseok; Chan, Lesley; Yoon, Jongseung

    2014-10-28

    Nanostructured forms of crystalline silicon represent an attractive materials building block for photovoltaics due to their potential benefits to significantly reduce the consumption of active materials, relax the requirement of materials purity for high performance, and hence achieve greatly improved levelized cost of energy. Despite successful demonstrations for their concepts over the past decade, however, the practical application of nanostructured silicon solar cells for large-scale implementation has been hampered by many existing challenges associated with the consumption of the entire wafer or expensive source materials, difficulties to precisely control materials properties and doping characteristics, or restrictions on substrate materials and scalability. Here we present a highly integrable materials platform of nanostructured silicon solar cells that can overcome these limitations. Ultrathin silicon solar microcells integrated with engineered photonic nanostructures are fabricated directly from wafer-based source materials in configurations that can lower the materials cost and can be compatible with deterministic assembly procedures to allow programmable, large-scale distribution, unlimited choices of module substrates, as well as lightweight, mechanically compliant constructions. Systematic studies on optical and electrical properties, photovoltaic performance in experiments, as well as numerical modeling elucidate important design rules for nanoscale photon management with ultrathin, nanostructured silicon solar cells and their interconnected, mechanically flexible modules, where we demonstrate 12.4% solar-to-electric energy conversion efficiency for printed ultrathin (∼ 8 μm) nanostructured silicon solar cells when configured with near-optimal designs of rear-surface nanoposts, antireflection coating, and back-surface reflector.

  6. Large-Area Cross-Aligned Silver Nanowire Electrodes for Flexible, Transparent, and Force-Sensitive Mechanochromic Touch Screens.

    PubMed

    Cho, Seungse; Kang, Saewon; Pandya, Ashish; Shanker, Ravi; Khan, Ziyauddin; Lee, Youngsu; Park, Jonghwa; Craig, Stephen L; Ko, Hyunhyub

    2017-04-12

    Silver nanowire (AgNW) networks are considered to be promising structures for use as flexible transparent electrodes for various optoelectronic devices. One important application of AgNW transparent electrodes is the flexible touch screens. However, the performances of flexible touch screens are still limited by the large surface roughness and low electrical to optical conductivity ratio of random network AgNW electrodes. In addition, although the perception of writing force on the touch screen enables a variety of different functions, the current technology still relies on the complicated capacitive force touch sensors. This paper demonstrates a simple and high-throughput bar-coating assembly technique for the fabrication of large-area (>20 × 20 cm(2)), highly cross-aligned AgNW networks for transparent electrodes with the sheet resistance of 21.0 Ω sq(-1) at 95.0% of optical transmittance, which compares favorably with that of random AgNW networks (sheet resistance of 21.0 Ω sq(-1) at 90.4% of optical transmittance). As a proof of concept demonstration, we fabricate flexible, transparent, and force-sensitive touch screens using cross-aligned AgNW electrodes integrated with mechanochromic spiropyran-polydimethylsiloxane composite film. Our force-sensitive touch screens enable the precise monitoring of dynamic writings, tracing and drawing of underneath pictures, and perception of handwriting patterns with locally different writing forces. The suggested technique provides a robust and powerful platform for the controllable assembly of nanowires beyond the scale of conventional fabrication techniques, which can find diverse applications in multifunctional flexible electronic and optoelectronic devices.

  7. Functionalization of nanomaterials by non-thermal large area atmospheric pressure plasmas: application to flexible dye-sensitized solar cells.

    PubMed

    Jung, Heesoo; Park, Jaeyoung; Yoo, Eun Sang; Han, Gill-Sang; Jung, Hyun Suk; Ko, Min Jae; Park, Sanghoo; Choe, Wonho

    2013-09-07

    A key challenge to the industrial application of nanotechnology is the development of fabrication processes for functional devices based on nanomaterials which can be scaled up for mass production. In this report, we disclose the results of non-thermal radio-frequency (rf) atmospheric pressure plasma (APP) based deposition of TiO2 nanoparticles on a flexible substrate for the fabrication of dye-sensitized solar cells (DSSCs). Operating at 190 °C without a vacuum enclosure, the APP method can avoid thermal damage and vacuum compatibility restrictions and utilize roll-to-roll processing over a large area. The various analyses of the TiO2 films demonstrate that superior film properties can be obtained by the non-thermal APP method when compared with the thermal sintering process operating at 450 °C. The crystallinity of the anatase TiO2 nanoparticles is significantly improved without thermal agglomeration, while the surface defects such as Ti(3+) ions are eliminated, thus providing efficient charge collecting properties for solar cells. Finally, we successfully fabricated a flexible DSSC with an energy conversion efficiency of 4.2% using a transparent plastic substrate. This work demonstrates the potential of non-thermal APP technology in the area of device-level, nano-enabled material manufacturing.

  8. Functionalization of nanomaterials by non-thermal large area atmospheric pressure plasmas: application to flexible dye-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Jung, Heesoo; Park, Jaeyoung; Yoo, Eun Sang; Han, Gill-Sang; Jung, Hyun Suk; Ko, Min Jae; Park, Sanghoo; Choe, Wonho

    2013-08-01

    A key challenge to the industrial application of nanotechnology is the development of fabrication processes for functional devices based on nanomaterials which can be scaled up for mass production. In this report, we disclose the results of non-thermal radio-frequency (rf) atmospheric pressure plasma (APP) based deposition of TiO2 nanoparticles on a flexible substrate for the fabrication of dye-sensitized solar cells (DSSCs). Operating at 190 °C without a vacuum enclosure, the APP method can avoid thermal damage and vacuum compatibility restrictions and utilize roll-to-roll processing over a large area. The various analyses of the TiO2 films demonstrate that superior film properties can be obtained by the non-thermal APP method when compared with the thermal sintering process operating at 450 °C. The crystallinity of the anatase TiO2 nanoparticles is significantly improved without thermal agglomeration, while the surface defects such as Ti3+ ions are eliminated, thus providing efficient charge collecting properties for solar cells. Finally, we successfully fabricated a flexible DSSC with an energy conversion efficiency of 4.2% using a transparent plastic substrate. This work demonstrates the potential of non-thermal APP technology in the area of device-level, nano-enabled material manufacturing.A key challenge to the industrial application of nanotechnology is the development of fabrication processes for functional devices based on nanomaterials which can be scaled up for mass production. In this report, we disclose the results of non-thermal radio-frequency (rf) atmospheric pressure plasma (APP) based deposition of TiO2 nanoparticles on a flexible substrate for the fabrication of dye-sensitized solar cells (DSSCs). Operating at 190 °C without a vacuum enclosure, the APP method can avoid thermal damage and vacuum compatibility restrictions and utilize roll-to-roll processing over a large area. The various analyses of the TiO2 films demonstrate that superior film

  9. Ambient fabrication of flexible and large-area organic light-emitting devices using slot-die coating.

    PubMed

    Sandström, Andreas; Dam, Henrik F; Krebs, Frederik C; Edman, Ludvig

    2012-01-01

    The grand vision of manufacturing large-area emissive devices with low-cost roll-to-roll coating methods, akin to how newspapers are produced, appeared with the emergence of the organic light-emitting diode about 20 years ago. Today, small organic light-emitting diode displays are commercially available in smartphones, but the promise of a continuous ambient fabrication has unfortunately not materialized yet, as organic light-emitting diodes invariably depend on the use of one or more time- and energy-consuming process steps under vacuum. Here we report an all-solution-based fabrication of an alternative emissive device, a light-emitting electrochemical cell, using a slot-die roll-coating apparatus. The fabricated flexible sheets exhibit bidirectional and uniform light emission, and feature a fault-tolerant >1-μm-thick active material that is doped in situ during operation. It is notable that the initial preparation of inks, the subsequent coating of the constituent layers and the final device operation all could be executed under ambient air.

  10. Large area ITO-free flexible white OLEDs with Orgacon PEDOT:PSS and printed metal shunting lines

    NASA Astrophysics Data System (ADS)

    Harkema, Stephan; Mennema, Sibe; Barink, Marco; Rooms, Harmen; Wilson, Joanne S.; van Mol, Ton; Bollen, Dirk

    2009-08-01

    We demonstrate the feasibility of white organic light-emitting diodes that exclude the transparent conductor indium-tinoxide. Instead, a highly conductive OrgaconTM PEDOT:PSS material in combination with a metal support structure is used as transparent anode and hole-injection layer. The PEDOT:PSS exhibits a conductivity of 460+/-20 S/cm and a work function of 5.35+/-0.05 eV. On ITO-free OLEDs on glass with an active area of ~6 cm2 the inclusion of 120 nm thick printed metal lines reduces the variation in brightness from 35% to 20%. The ITO-free concept based on PEDOT:PSS with printed metal structures is scaled up to large flexible OLEDs with a size of 150 cm2 on a heat-stabilized Teonex® Polyethylene Naphtalate foil. The voltage distribution across the various electrodes was verified by a finite element model, allowing a prediction of the OLED brightness and homogeneity over large areas.

  11. Conformational flexibility of bacterial RNA polymerase

    PubMed Central

    Darst, Seth A.; Opalka, Natacha; Chacon, Pablo; Polyakov, Andrey; Richter, Catherine; Zhang, Gongyi; Wriggers, Willy

    2002-01-01

    The structure of Escherichia coli core RNA polymerase (RNAP) was determined by cryo-electron microscopy and image processing of helical crystals to a nominal resolution of 15 Å. Because of the high sequence conservation between the core RNAP subunits, we were able to interpret the E. coli structure in relation to the high-resolution x-ray structure of Thermus aquaticus core RNAP. A very large conformational change of the T. aquaticus RNAP x-ray structure, corresponding to opening of the main DNA/RNA channel by nearly 25 Å, was required to fit the E. coli map. This finding reveals, at least partially, the range of conformational flexibility of the RNAP, which is likely to have functional implications for the initiation of transcription, where the DNA template must be loaded into the channel. PMID:11904365

  12. Rod-coating: towards large-area fabrication of uniform reduced graphene oxide films for flexible touch screens.

    PubMed

    Wang, Jie; Liang, Minghui; Fang, Yan; Qiu, Tengfei; Zhang, Jin; Zhi, Linjie

    2012-06-05

    A novel strategy is developed for the large-scale fabrication of reduced graphene oxide films directly on flexible substrates in a controlled manner by the combination of a rod-coating technique and room-temperature reduction of graphene oxide. The as-prepared films display excellent uniformity, good transparency and conductivity, and great flexibility in a touch screen.

  13. Femtosecond laser rapid fabrication of large-area rose-like micropatterns on freestanding flexible graphene films

    PubMed Central

    Shi, Xuesong; Li, Xin; Jiang, Lan; Qu, Liangti; Zhao, Yang; Ran, Peng; Wang, Qingsong; Cao, Qiang; Ma, Tianbao; Lu, Yongfeng

    2015-01-01

    We developed a simple, scalable and high-throughput method for fabrication of large-area three-dimensional rose-like microflowers with controlled size, shape and density on graphene films by femtosecond laser micromachining. The novel biomimetic microflower that composed of numerous turnup graphene nanoflakes can be fabricated by only a single femtosecond laser pulse, which is efficient enough for large-area patterning. The graphene films were composed of layer-by-layer graphene nanosheets separated by nanogaps (~10–50 nm), and graphene monolayers with an interlayer spacing of ~0.37 nm constituted each of the graphene nanosheets. This unique hierarchical layering structure of graphene films provides great possibilities for generation of tensile stress during femtosecond laser ablation to roll up the nanoflakes, which contributes to the formation of microflowers. By a simple scanning technique, patterned surfaces with controllable densities of flower patterns were obtained, which can exhibit adhesive superhydrophobicity. More importantly, this technique enables fabrication of the large-area patterned surfaces at centimeter scales in a simple and efficient way. This study not only presents new insights of ultrafast laser processing of novel graphene-based materials but also shows great promise of designing new materials combined with ultrafast laser surface patterning for future applications in functional coatings, sensors, actuators and microfluidics. PMID:26615800

  14. Femtosecond laser rapid fabrication of large-area rose-like micropatterns on freestanding flexible graphene films

    NASA Astrophysics Data System (ADS)

    Shi, Xuesong; Li, Xin; Jiang, Lan; Qu, Liangti; Zhao, Yang; Ran, Peng; Wang, Qingsong; Cao, Qiang; Ma, Tianbao; Lu, Yongfeng

    2015-11-01

    We developed a simple, scalable and high-throughput method for fabrication of large-area three-dimensional rose-like microflowers with controlled size, shape and density on graphene films by femtosecond laser micromachining. The novel biomimetic microflower that composed of numerous turnup graphene nanoflakes can be fabricated by only a single femtosecond laser pulse, which is efficient enough for large-area patterning. The graphene films were composed of layer-by-layer graphene nanosheets separated by nanogaps (~10-50 nm), and graphene monolayers with an interlayer spacing of ~0.37 nm constituted each of the graphene nanosheets. This unique hierarchical layering structure of graphene films provides great possibilities for generation of tensile stress during femtosecond laser ablation to roll up the nanoflakes, which contributes to the formation of microflowers. By a simple scanning technique, patterned surfaces with controllable densities of flower patterns were obtained, which can exhibit adhesive superhydrophobicity. More importantly, this technique enables fabrication of the large-area patterned surfaces at centimeter scales in a simple and efficient way. This study not only presents new insights of ultrafast laser processing of novel graphene-based materials but also shows great promise of designing new materials combined with ultrafast laser surface patterning for future applications in functional coatings, sensors, actuators and microfluidics.

  15. Next Generation Non-Vacuum, Maskless, Low Temperature Nanoparticle Ink Laser Digital Direct Metal Patterning for a Large Area Flexible Electronics

    PubMed Central

    Yeo, Junyeob; Hong, Sukjoon; Lee, Daehoo; Hotz, Nico; Lee, Ming-Tsang; Grigoropoulos, Costas P.; Ko, Seung Hwan

    2012-01-01

    Flexible electronics opened a new class of future electronics. The foldable, light and durable nature of flexible electronics allows vast flexibility in applications such as display, energy devices and mobile electronics. Even though conventional electronics fabrication methods are well developed for rigid substrates, direct application or slight modification of conventional processes for flexible electronics fabrication cannot work. The future flexible electronics fabrication requires totally new low-temperature process development optimized for flexible substrate and it should be based on new material too. Here we present a simple approach to developing a flexible electronics fabrication without using conventional vacuum deposition and photolithography. We found that direct metal patterning based on laser-induced local melting of metal nanoparticle ink is a promising low-temperature alternative to vacuum deposition– and photolithography-based conventional metal patterning processes. The “digital” nature of the proposed direct metal patterning process removes the need for expensive photomask and allows easy design modification and short turnaround time. This new process can be extremely useful for current small-volume, large-variety manufacturing paradigms. Besides, simple, scalable, fast and low-temperature processes can lead to cost-effective fabrication methods on a large-area polymer substrate. The developed process was successfully applied to demonstrate high-quality Ag patterning (2.1 µΩ·cm) and high-performance flexible organic field effect transistor arrays. PMID:22900011

  16. Next generation non-vacuum, maskless, low temperature nanoparticle ink laser digital direct metal patterning for a large area flexible electronics.

    PubMed

    Yeo, Junyeob; Hong, Sukjoon; Lee, Daehoo; Hotz, Nico; Lee, Ming-Tsang; Grigoropoulos, Costas P; Ko, Seung Hwan

    2012-01-01

    Flexible electronics opened a new class of future electronics. The foldable, light and durable nature of flexible electronics allows vast flexibility in applications such as display, energy devices and mobile electronics. Even though conventional electronics fabrication methods are well developed for rigid substrates, direct application or slight modification of conventional processes for flexible electronics fabrication cannot work. The future flexible electronics fabrication requires totally new low-temperature process development optimized for flexible substrate and it should be based on new material too. Here we present a simple approach to developing a flexible electronics fabrication without using conventional vacuum deposition and photolithography. We found that direct metal patterning based on laser-induced local melting of metal nanoparticle ink is a promising low-temperature alternative to vacuum deposition- and photolithography-based conventional metal patterning processes. The "digital" nature of the proposed direct metal patterning process removes the need for expensive photomask and allows easy design modification and short turnaround time. This new process can be extremely useful for current small-volume, large-variety manufacturing paradigms. Besides, simple, scalable, fast and low-temperature processes can lead to cost-effective fabrication methods on a large-area polymer substrate. The developed process was successfully applied to demonstrate high-quality Ag patterning (2.1 µΩ·cm) and high-performance flexible organic field effect transistor arrays.

  17. Large area in situ fabrication of poly(pyrrole)-nanowires on flexible thermoplastic films using nanocontact printing

    NASA Astrophysics Data System (ADS)

    Garcia-Cruz, Alvaro; Lee, Michael; Marote, Pedro; Zine, Nadia; Sigaud, Monique; Bonhomme, Anne; Pruna, Raquel; Lopez, Manuel; Bausells, Joan; Jaffrezic, Nicole; Errachid, Abdelhamid

    2016-08-01

    Highly efficient nano-engineering tools will certainly revolutionize the biomedical and sensing devices research and development in the years to come. Here, we present a novel high performance conducting poly(pyrrole) nanowires (PPy-NW) patterning technology on thermoplastic surfaces (poly(ethylene terephthalate (PETE), poly(ethylene 2,6-naphthalate (PEN), polyimide (PI), and cyclic olefin copolymer) using nanocontact printing and controlled chemical polymerization (nCP-CCP) technique. The technique uses a commercial compact disk as a template to produce nanopatterned polydimethylsiloxane (PDMS) stamps. The PDMS nanopatterned stamp was applied to print the PPy-NWs and the developed technology of nCP-CCP produced 3D conducting nanostructures. This new and very promising nanopatterning technology was achieved in a single step and with a low cost of fabrication over large areas.

  18. Integrating anti-reflection and superhydrophobicity of moth-eye-like surface morphology on a large-area flexible substrate

    NASA Astrophysics Data System (ADS)

    Liu, Chia-Hsing; Niu, Pei-Lun; Sung, Cheng-Kuo

    2014-01-01

    This paper proposes an ultraviolet nanoimprint lithography (UV-NIL) roll-to-roll (R2R) process with argon and oxygen (Ar-O2) plasma ashing and coating of a dilute perfluorodecyltrichlorosilane (FDTS) layer to fabricate the large-area moth-eye-like surface morphology on a polyethylene terephthalate substrate. By using Maxwell-Garnett's effective medium theory, the optimal dimensions of the moth-eye-like surface morphology was designed and fabricated with UV-NIL R2R process to obtain maximum transmittance ratio. In addition, the base angle (θ = 30.1°) of the moth-eye-like surface morphology was modified with Ar-O2 plasma ashing and coated with a dilute FDTS layer to possess both superhydrophobic and air-retention properties. This increases both the transmittance ratio of 4% and contact angle to 153°.

  19. Large-Area Monolayer MoS2 for Flexible Low-Power RF Nanoelectronics in the GHz Regime.

    PubMed

    Chang, Hsiao-Yu; Yogeesh, Maruthi Nagavalli; Ghosh, Rudresh; Rai, Amritesh; Sanne, Atresh; Yang, Shixuan; Lu, Nanshu; Banerjee, Sanjay Kumar; Akinwande, Deji

    2016-03-02

    Flexible synthesized MoS2 transistors are advanced to perform at GHz speeds. An intrinsic cutoff frequency of 5.6 GHz is achieved and analog circuits are realized. Devices are mechanically robust for 10,000 bending cycles. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. {100}<100> or 45.degree.-rotated {100}<100>, semiconductor-based, large-area, flexible, electronic devices

    DOEpatents

    Goyal, Amit [Knoxville, TN

    2012-05-15

    Novel articles and methods to fabricate the same resulting in flexible, {100}<100> or 45.degree.-rotated {100}<100> oriented, semiconductor-based, electronic devices are disclosed. Potential applications of resulting articles are in areas of photovoltaic devices, flat-panel displays, thermophotovoltaic devices, ferroelectric devices, light emitting diode devices, computer hard disc drive devices, magnetoresistance based devices, photoluminescence based devices, non-volatile memory devices, dielectric devices, thermoelectric devices and quantum dot laser devices.

  1. Large Area Nano-transfer Printing of Sub-50-nm Metal Nanostructures Using Low-cost Semi-flexible Hybrid Templates.

    PubMed

    Nagel, Robin D; Haeberle, Tobias; Schmidt, Morten; Lugli, Paolo; Scarpa, Giuseppe

    2016-12-01

    In this work, we present a method for printing metal micro- and nanopatterns down to sub-50-nm feature sizes using replicated, defect-tolerant stamps made out of OrmoStamp®; material. The relevant parameters for a successful transfer over large areas were investigated and yields above 99 % have been achieved. Comparing our results to conventional nano-transfer printing using PDMS stamps, we find that the more rigid hybrid polymer used here prevents unintended transfer from interspaces between structures of large distance due to roof collapse and deformation of nano-sized structures due to lateral collapse. Yet, our stamps are flexible enough to ensure intimate contact with the underlying substrate over large areas even in the presence of defect particles. Additionally, the presented patterning technique is resist-, solvent-, and chemical-free and is therefore ideally suited for applications in organic nanoelectronics where standard nanostructuring methods can harm or destroy the organic material.

  2. Controllable growth of dendritic ZnO nanowire arrays on a stainless steel mesh towards the fabrication of large area, flexible dye-sensitized solar cells.

    PubMed

    Dai, Hui; Zhou, Yong; Liu, Qi; Li, Zhengdao; Bao, Chunxiong; Yu, Tao; Zhou, Zhigang

    2012-09-07

    Well-defined ZnO nanowire (NW) arrays with controlled dendritic structures were successfully built on a stainless steel mesh and utilized as photoanodes for the fabrication of large-area, flexible dye-sensitized solar cells (DSSCs). The dendritic nanostructure proves favorable for the improvement of the overall light conversion efficiency of the DSSC. An optimized etching time for the affixion of ZnO seeds on the ZnO backbone of the dendritic "tree" and the controlled growth conditions of the branch NW are critical to achieve high conversion efficiency solar cells.

  3. Controllable growth of dendritic ZnO nanowire arrays on a stainless steel mesh towards the fabrication of large area, flexible dye-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Dai, Hui; Zhou, Yong; Liu, Qi; Li, Zhengdao; Bao, Chunxiong; Yu, Tao; Zhou, Zhigang

    2012-08-01

    Well-defined ZnO nanowire (NW) arrays with controlled dendritic structures were successfully built on a stainless steel mesh and utilized as photoanodes for the fabrication of large-area, flexible dye-sensitized solar cells (DSSCs). The dendritic nanostructure proves favorable for the improvement of the overall light conversion efficiency of the DSSC. An optimized etching time for the affixion of ZnO seeds on the ZnO backbone of the dendritic ``tree'' and the controlled growth conditions of the branch NW are critical to achieve high conversion efficiency solar cells.

  4. Vertically building Zn2SnO4 nanowire arrays on stainless steel mesh toward fabrication of large-area, flexible dye-sensitized solar cells.

    PubMed

    Li, Zhengdao; Zhou, Yong; Bao, Chunxiong; Xue, Guogang; Zhang, Jiyuan; Liu, Jianguo; Yu, Tao; Zou, Zhigang

    2012-06-07

    Zn(2)SnO(4) nanowire arrays were for the first time grown onto a stainless steel mesh (SSM) in a binary ethylenediamine (En)/water solvent system using a solvothermal route. The morphology evolution following this reaction was carefully followed to understand the formation mechanism. The SSM-supported Zn(2)SnO(4) nanowire was utilized as a photoanode for fabrication of large-area (10 cm × 5 cm size as a typical sample), flexible dye-sensitized solar cells (DSSCs). The synthesized Zn(2)SnO(4) nanowires exhibit great bendability and flexibility, proving potential advantage over other metal oxide nanowires such as TiO(2), ZnO, and SnO(2) for application in flexible solar cells. Relative to the analogous Zn(2)SnO(4) nanoparticle-based flexible DSSCs, the nanowire geometry proves to enhance solar energy conversion efficiency through enhancement of electron transport. The bendable nature of the DSSCs without obvious degradation of efficiency and facile scale up gives the as-made flexible solar cell device potential for practical application.

  5. Vertically building Zn2SnO4 nanowire arrays on stainless steel mesh toward fabrication of large-area, flexible dye-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Li, Zhengdao; Zhou, Yong; Bao, Chunxiong; Xue, Guogang; Zhang, Jiyuan; Liu, Jianguo; Yu, Tao; Zou, Zhigang

    2012-05-01

    Zn2SnO4 nanowire arrays were for the first time grown onto a stainless steel mesh (SSM) in a binary ethylenediamine (En)/water solvent system using a solvothermal route. The morphology evolution following this reaction was carefully followed to understand the formation mechanism. The SSM-supported Zn2SnO4 nanowire was utilized as a photoanode for fabrication of large-area (10 cm × 5 cm size as a typical sample), flexible dye-sensitized solar cells (DSSCs). The synthesized Zn2SnO4 nanowires exhibit great bendability and flexibility, proving potential advantage over other metal oxide nanowires such as TiO2, ZnO, and SnO2 for application in flexible solar cells. Relative to the analogous Zn2SnO4 nanoparticle-based flexible DSSCs, the nanowire geometry proves to enhance solar energy conversion efficiency through enhancement of electron transport. The bendable nature of the DSSCs without obvious degradation of efficiency and facile scale up gives the as-made flexible solar cell device potential for practical application.

  6. Torsional anharmonicity in the conformational thermodynamics of flexible molecules

    NASA Astrophysics Data System (ADS)

    Miller, Thomas F., III; Clary, David C.

    We present an algorithm for calculating the conformational thermodynamics of large, flexible molecules that combines ab initio electronic structure theory calculations with a torsional path integral Monte Carlo (TPIMC) simulation. The new algorithm overcomes the previous limitations of the TPIMC method by including the thermodynamic contributions of non-torsional vibrational modes and by affordably incorporating the ab initio calculation of conformer electronic energies, and it improves the conventional ab initio treatment of conformational thermodynamics by accounting for the anharmonicity of the torsional modes. Using previously published ab initio results and new TPIMC calculations, we apply the algorithm to the conformers of the adrenaline molecule.

  7. Fully Screen-Printed, Large-Area, and Flexible Active-Matrix Electrochromic Displays Using Carbon Nanotube Thin-Film Transistors.

    PubMed

    Cao, Xuan; Lau, Christian; Liu, Yihang; Wu, Fanqi; Gui, Hui; Liu, Qingzhou; Ma, Yuqiang; Wan, Haochuan; Amer, Moh R; Zhou, Chongwu

    2016-11-22

    Semiconducting single-wall carbon nanotubes are ideal semiconductors for printed electronics due to their advantageous electrical and mechanical properties, intrinsic printability in solution, and desirable stability in air. However, fully printed, large-area, high-performance, and flexible carbon nanotube active-matrix backplanes are still difficult to realize for future displays and sensing applications. Here, we report fully screen-printed active-matrix electrochromic displays employing carbon nanotube thin-film transistors. Our fully printed backplane shows high electrical performance with mobility of 3.92 ± 1.08 cm(2) V(-1) s(-1), on-off current ratio Ion/Ioff ∼ 10(4), and good uniformity. The printed backplane was then monolithically integrated with an array of printed electrochromic pixels, resulting in an entirely screen-printed active-matrix electrochromic display (AMECD) with good switching characteristics, facile manufacturing, and long-term stability. Overall, our fully screen-printed AMECD is promising for the mass production of large-area and low-cost flexible displays for applications such as disposable tags, medical electronics, and smart home appliances.

  8. Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops

    PubMed Central

    Yao, Peggy; Dhanik, Ankur; Marz, Nathan; Propper, Ryan; Kou, Charles; Liu, Guanfeng; van den Bedem, Henry; Latombe, Jean-Claude; Halperin-Landsberg, Inbal; Altman, Russ Biagio

    2009-01-01

    Several applications in biology—e.g., incorporation of protein flexibility in ligand docking algorithms, interpretation of fuzzy X-ray crystallographic data, and homology modeling—require computing the internal parameters of a flexible fragment (usually, a loop) of a protein in order to connect its termini to the rest of the protein without causing any steric clash inside the loop and with the rest of the protein. One must often sample many such conformations in order to explore and adequately represent the conformational range of the studied loop. While sampling must be fast, it is made difficult by the fact that two conflicting constraints—kinematic closure and clash avoidance—must be satisfied concurrently. This paper describes two efficient and complementary sampling algorithms to explore the space of closed clash-free conformations of a flexible protein loop. The “seed sampling” algorithm samples broadly from this space, while the “deformation sampling” algorithm uses seed conformations as starting points to explore the conformation space around them at a finer grain. Computational results are presented for various loops ranging from 5 to 25 residues. More specific results also show that the combination of the sampling algorithms with a functional site prediction software (FEATURE) makes it possible to compute and recognize calcium-binding loop conformations. The sampling algorithms are implemented in a toolkit, called LoopTK, which is available at https://simtk.org/home/looptk. PMID:18989041

  9. Efficient algorithms to explore conformation spaces of flexible protein loops.

    PubMed

    Yao, Peggy; Dhanik, Ankur; Marz, Nathan; Propper, Ryan; Kou, Charles; Liu, Guanfeng; van den Bedem, Henry; Latombe, Jean-Claude; Halperin-Landsberg, Inbal; Altman, Russ Biagio

    2008-01-01

    Several applications in biology - e.g., incorporation of protein flexibility in ligand docking algorithms, interpretation of fuzzy X-ray crystallographic data, and homology modeling - require computing the internal parameters of a flexible fragment (usually, a loop) of a protein in order to connect its termini to the rest of the protein without causing any steric clash. One must often sample many such conformations in order to explore and adequately represent the conformational range of the studied loop. While sampling must be fast, it is made difficult by the fact that two conflicting constraints - kinematic closure and clash avoidance - must be satisfied concurrently. This paper describes two efficient and complementary sampling algorithms to explore the space of closed clash-free conformations of a flexible protein loop. The "seed sampling" algorithm samples broadly from this space, while the "deformation sampling" algorithm uses seed conformations as starting points to explore the conformation space around them at a finer grain. Computational results are presented for various loops ranging from 5 to 25 residues. More specific results also show that the combination of the sampling algorithms with a functional site prediction software (FEATURE) makes it possible to compute and recognize calcium-binding loop conformations. The sampling algorithms are implemented in a toolkit (LoopTK), which is available at https://simtk.org/home/looptk.

  10. Rosin-enabled ultraclean and damage-free transfer of graphene for large-area flexible organic light-emitting diodes

    PubMed Central

    Zhang, Zhikun; Du, Jinhong; Zhang, Dingdong; Sun, Hengda; Yin, Lichang; Ma, Laipeng; Chen, Jiangshan; Ma, Dongge; Cheng, Hui-Ming; Ren, Wencai

    2017-01-01

    The large polymer particle residue generated during the transfer process of graphene grown by chemical vapour deposition is a critical issue that limits its use in large-area thin-film devices such as organic light-emitting diodes. The available lighting areas of the graphene-based organic light-emitting diodes reported so far are usually <1 cm2. Here we report a transfer method using rosin as a support layer, whose weak interaction with graphene, good solubility and sufficient strength enable ultraclean and damage-free transfer. The transferred graphene has a low surface roughness with an occasional maximum residue height of about 15 nm and a uniform sheet resistance of 560 Ω per square with about 1% deviation over a large area. Such clean, damage-free graphene has produced the four-inch monolithic flexible graphene-based organic light-emitting diode with a high brightness of about 10,000 cd m−2 that can already satisfy the requirements for lighting sources and displays. PMID:28233778

  11. Rosin-enabled ultraclean and damage-free transfer of graphene for large-area flexible organic light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Zhang, Zhikun; Du, Jinhong; Zhang, Dingdong; Sun, Hengda; Yin, Lichang; Ma, Laipeng; Chen, Jiangshan; Ma, Dongge; Cheng, Hui-Ming; Ren, Wencai

    2017-02-01

    The large polymer particle residue generated during the transfer process of graphene grown by chemical vapour deposition is a critical issue that limits its use in large-area thin-film devices such as organic light-emitting diodes. The available lighting areas of the graphene-based organic light-emitting diodes reported so far are usually <1 cm2. Here we report a transfer method using rosin as a support layer, whose weak interaction with graphene, good solubility and sufficient strength enable ultraclean and damage-free transfer. The transferred graphene has a low surface roughness with an occasional maximum residue height of about 15 nm and a uniform sheet resistance of 560 Ω per square with about 1% deviation over a large area. Such clean, damage-free graphene has produced the four-inch monolithic flexible graphene-based organic light-emitting diode with a high brightness of about 10,000 cd m-2 that can already satisfy the requirements for lighting sources and displays.

  12. Rosin-enabled ultraclean and damage-free transfer of graphene for large-area flexible organic light-emitting diodes.

    PubMed

    Zhang, Zhikun; Du, Jinhong; Zhang, Dingdong; Sun, Hengda; Yin, Lichang; Ma, Laipeng; Chen, Jiangshan; Ma, Dongge; Cheng, Hui-Ming; Ren, Wencai

    2017-02-24

    The large polymer particle residue generated during the transfer process of graphene grown by chemical vapour deposition is a critical issue that limits its use in large-area thin-film devices such as organic light-emitting diodes. The available lighting areas of the graphene-based organic light-emitting diodes reported so far are usually <1 cm(2). Here we report a transfer method using rosin as a support layer, whose weak interaction with graphene, good solubility and sufficient strength enable ultraclean and damage-free transfer. The transferred graphene has a low surface roughness with an occasional maximum residue height of about 15 nm and a uniform sheet resistance of 560 Ω per square with about 1% deviation over a large area. Such clean, damage-free graphene has produced the four-inch monolithic flexible graphene-based organic light-emitting diode with a high brightness of about 10,000 cd m(-2) that can already satisfy the requirements for lighting sources and displays.

  13. A KINETIC ANALYSIS OF THE CONFORMATIONAL FLEXIBILITY OF STEROID HORMONES

    EPA Science Inventory

    For a set of 10 androgen steroids and estradiol (E2), the kinetic feasibility of conformation flexibility of the cyclic moieties was studied under the constraint of maintaining the B/C trans and C/D trans ring fusion of the natural and biologically active enantiomer. To this end,...

  14. A KINETIC ANALYSIS OF THE CONFORMATIONAL FLEXIBILITY OF STEROID HORMONES

    EPA Science Inventory

    For a set of 10 androgen steroids and estradiol (E2), the kinetic feasibility of conformation flexibility of the cyclic moieties was studied under the constraint of maintaining the B/C trans and C/D trans ring fusion of the natural and biologically active enantiomer. To this end,...

  15. Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms.

    PubMed

    Grutsch, Sarina; Fuchs, Julian E; Ahammer, Linda; Kamenik, Anna S; Liedl, Klaus R; Tollinger, Martin

    2017-06-03

    The protein Bet v 1 represents the main cause for allergic reactions to birch pollen in Europe and North America. Structurally homologous isoforms of Bet v 1 can have different properties regarding allergic sensitization and Th2 polarization, most likely due to differential susceptibility to proteolytic cleavage. Using NMR relaxation experiments and molecular dynamics simulations, we demonstrate that the initial proteolytic cleavage sites in two naturally occurring Bet v 1 isoforms, Bet v 1.0101 (Bet v 1a) and Bet v 1.0102 (Bet v 1d), are conformationally flexible. Inaccessible cleavage sites in helices and strands are highly flexible on the microsecond-millisecond time scale, whereas those located in loops display faster nanosecond-microsecond flexibility. The data consistently show that Bet v 1.0102 is more flexible and conformationally heterogeneous than Bet v 1.0101. Moreover, NMR hydrogen-deuterium exchange measurements reveal that the backbone amides in Bet v 1.0102 are significantly more solvent exposed, in agreement with this isoform's higher susceptibility to proteolytic cleavage. The differential conformational flexibility of Bet v 1 isoforms, along with the transient exposure of inaccessible sites to the protein surface, may be linked to proteolytic susceptibility, representing a potential structure-based rationale for the observed differences in Th2 polarization and allergic sensitization.

  16. Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms

    PubMed Central

    Grutsch, Sarina; Fuchs, Julian E.; Ahammer, Linda; Kamenik, Anna S.; Liedl, Klaus R.; Tollinger, Martin

    2017-01-01

    The protein Bet v 1 represents the main cause for allergic reactions to birch pollen in Europe and North America. Structurally homologous isoforms of Bet v 1 can have different properties regarding allergic sensitization and Th2 polarization, most likely due to differential susceptibility to proteolytic cleavage. Using NMR relaxation experiments and molecular dynamics simulations, we demonstrate that the initial proteolytic cleavage sites in two naturally occurring Bet v 1 isoforms, Bet v 1.0101 (Bet v 1a) and Bet v 1.0102 (Bet v 1d), are conformationally flexible. Inaccessible cleavage sites in helices and strands are highly flexible on the microsecond-millisecond time scale, whereas those located in loops display faster nanosecond-microsecond flexibility. The data consistently show that Bet v 1.0102 is more flexible and conformationally heterogeneous than Bet v 1.0101. Moreover, NMR hydrogen-deuterium exchange measurements reveal that the backbone amides in Bet v 1.0102 are significantly more solvent exposed, in agreement with this isoform’s higher susceptibility to proteolytic cleavage. The differential conformational flexibility of Bet v 1 isoforms, along with the transient exposure of inaccessible sites to the protein surface, may be linked to proteolytic susceptibility, representing a potential structure-based rationale for the observed differences in Th2 polarization and allergic sensitization. PMID:28587205

  17. Conformal surface plasmons propagating on ultrathin and flexible films.

    PubMed

    Shen, Xiaopeng; Cui, Tie Jun; Martin-Cano, Diego; Garcia-Vidal, Francisco J

    2013-01-02

    Surface plasmon polaritons (SPPs) are localized surface electromagnetic waves that propagate along the interface between a metal and a dielectric. Owing to their inherent subwavelength confinement, SPPs have a strong potential to become building blocks of a type of photonic circuitry built up on 2D metal surfaces; however, SPPs are difficult to control on curved surfaces conformably and flexibly to produce advanced functional devices. Here we propose the concept of conformal surface plasmons (CSPs), surface plasmon waves that can propagate on ultrathin and flexible films to long distances in a wide broadband range from microwave to mid-infrared frequencies. We present the experimental realization of these CSPs in the microwave regime on paper-like dielectric films with a thickness 600-fold smaller than the operating wavelength. The flexible paper-like films can be bent, folded, and even twisted to mold the flow of CSPs.

  18. Deterministic growth of AgTCNQ and CuTCNQ nanowires on large-area reduced graphene oxide films for flexible optoelectronics

    NASA Astrophysics Data System (ADS)

    Zhang, Shuai; Lu, Zhufeng; Gu, Li; Cai, Liling; Cao, Xuebo

    2013-11-01

    We describe a synchronous reduction and assembly procedure to directly produce large-area reduced graphene oxide (rGO) films sandwiched by a high density of metal nanoparticles (silver and copper). Further, by using the sandwiched metal NPs as sources, networks consisting of AgTCNQ and CuTCNQ nanowires were deterministically grown from the rGO films, forming structurally and functionally integrated rGO/metal-TCNQ hybrid films with outstanding flexibility, bending endurance, and electrical stability. Interestingly, due to the p-type nature of the rGO film and the n-type nature of the metal-TCNQ NWs, the hybrid films are essentially thin-film p-n junctions which are useful in ubiquitous electronics and optoelectronics. Measurements of the optoelectronic properties demonstrate that the rGO/metal-TCNQ hybrid films exhibit substantial photoconductivity and highly reproducible photoswitching behaviours. The present approach may open the door to the versatile and deterministic integration of functional nanostructures into flexible conducting substrates and provide an important step towards producing low-cost and high-performance soft electronic and optoelectronic devices.

  19. Large-area, transparent, and flexible infrared photodetector fabricated using P-N junctions formed by N-doping chemical vapor deposition grown graphene.

    PubMed

    Liu, Nan; Tian, He; Schwartz, Gregor; Tok, Jeffrey B-H; Ren, Tian-Ling; Bao, Zhenan

    2014-07-09

    Graphene is a highly promising material for high speed, broadband, and multicolor photodetection. Because of its lack of bandgap, individually gated P- and N-regions are needed to fabricate photodetectors. Here we report a technique for making a large-area photodetector on the basis of controllable fabrication of graphene P-N junctions. Our selectively doped chemical vapor deposition (CVD) graphene photodetector showed a ∼5% modulation of conductance under global IR irradiation. By comparing devices of various geometries, we identify that both the homogeneous and the P-N junction regions contribute competitively to the photoresponse. Furthermore, we demonstrate that our two-terminal graphene photodetector can be fabricated on both transparent and flexible substrates without the need for complex fabrication processes used in electrically gated three-terminal devices. This represents the first demonstration of a fully transparent and flexible graphene-based IR photodetector that exhibits both good photoresponsivity and high bending capability. This simple approach should facilitate the development of next generation high-performance IR photodetectors.

  20. The design and realization of a large-area flexible nanofiber-based mat for pollutant degradation: an application in photocatalysis

    NASA Astrophysics Data System (ADS)

    Shang, Meng; Wang, Wenzhong; Sun, Songmei; Gao, Erping; Zhang, Zhijie; Zhang, Ling; O'Hayre, Ryan

    2013-05-01

    This work demonstrates a novel multifunctional nanofibrous mat for photocatalytic applications based on TiO2 nanocables functionalized by Ag nanoparticles and coated with a thin (~2 nm) graphitic shell. In this mat, which was realized by an electrospinning technique, each component serves a unique function: the carbon coating acts as both an adsorption material for capturing pollutants and as a charge-transfer material, the Ag nanoparticles act as a visible-light sensitizing agent and also as a charge-transfer material, finally the TiO2 nanocable mat acts as a UV sensitive photocatalytic matrix and as the flexible substrate for the other functional components. This multicomponent nanocable mat exhibits excellent photocatalytic activity under simulated solar irradiation for the degradation of model pollutants including RhB and phenol. The significant photocatalytic properties are attributed to the synergetic effect of the three functional components and the unique charge transport ``freeway'' property of the nanofibrous mat. In addition, the porous carbon coating infiltrated into the nanocable matrix endows the mat with excellent flexibility and enables robust, large-area (10 × 10 cm) fabrication, representing a significant advantage over previous brittle ceramic nanofibrous mat photocatalyst substrates. This study provides new insight into the design and preparation of an advanced, yet commercially practical and scaleable photocatalytic composite membrane material. The as-prepared photocatalytic mat might also be of interest in solar cell, catalysis, separation technology, biomedical engineering, and nanotechnology.

  1. Distal histidine conformational flexibility in dehaloperoxidase from Amphitrite ornata

    SciTech Connect

    Chen, Zuxu; de Serrano, Vesna; Betts, Laurie; Franzen, Stefan

    2009-01-28

    The enzyme dehaloperoxidase (DHP) from the terebellid polychaete Amphitrite ornata is a heme protein which has a globin fold but can function as both a hemoglobin and a peroxidase. As a peroxidase, DHP is capable of converting 2,4,6-trihalophenols to the corresponding 2,6-dihaloquinones in the presence of hydrogen peroxide. As a hemoglobin, DHP cycles between the oxy and deoxy states as it reversibly binds oxygen for storage. Here, it is reported that the distal histidine, His55, exhibits conformational flexibility in the deoxy form and is consequently observed in two solvent-exposed conformations more than 9.5 {angstrom} away from the heme. These conformations are analogous to the open conformation of sperm whale myoglobin. The heme iron in deoxy ferrous DHP is five-coordinate and has an out-of-plane displacement of 0.25 {angstrom} from the heme plane. The observation of five-coordinate heme iron with His55 in a remote solvent-exposed conformation is consistent with the hypothesis that His55 interacts with heme iron ligands through hydrogen bonding in the closed conformation. Since His55 is also displaced by the binding of 4-iodophenol in an internal pocket, these results provide new insight into the correlation between heme iron ligation, molecular binding in the distal pocket and the conformation of the distal histidine in DHP.

  2. Conformational flexibility facilitates self-assembly of complex DNA nanostructures.

    PubMed

    Zhang, Chuan; Su, Min; He, Yu; Zhao, Xin; Fang, Ping-an; Ribbe, Alexander E; Jiang, Wen; Mao, Chengde

    2008-08-05

    Molecular self-assembly is a promising approach to the preparation of nanostructures. DNA, in particular, shows great potential to be a superb molecular system. Synthetic DNA molecules have been programmed to assemble into a wide range of nanostructures. It is generally believed that rigidities of DNA nanomotifs (tiles) are essential for programmable self-assembly of well defined nanostructures. Recently, we have shown that adequate conformational flexibility could be exploited for assembling 3D objects, including tetrahedra, dodecahedra, and buckyballs, out of DNA three-point star motifs. In the current study, we have integrated tensegrity principle into this concept to assemble well defined, complex nanostructures in both 2D and 3D. A symmetric five-point-star motif (tile) has been designed to assemble into icosahedra or large nanocages depending on the concentration and flexibility of the DNA tiles. In both cases, the DNA tiles exhibit significant flexibilities and undergo substantial conformational changes, either symmetrically bending out of the plane or asymmetrically bending in the plane. In contrast to the complicated natures of the assembled structures, the approach presented here is simple and only requires three different component DNA strands. These results demonstrate that conformational flexibility could be explored to generate complex DNA nanostructures. The basic concept might be further extended to other biomacromolecular systems, such as RNA and proteins.

  3. Global mapping of DNA conformational flexibility on Saccharomyces cerevisiae.

    PubMed

    Menconi, Giulia; Bedini, Andrea; Barale, Roberto; Sbrana, Isabella

    2015-04-01

    In this study we provide the first comprehensive map of DNA conformational flexibility in Saccharomyces cerevisiae complete genome. Flexibility plays a key role in DNA supercoiling and DNA/protein binding, regulating DNA transcription, replication or repair. Specific interest in flexibility analysis concerns its relationship with human genome instability. Enrichment in flexible sequences has been detected in unstable regions of human genome defined fragile sites, where genes map and carry frequent deletions and rearrangements in cancer. Flexible sequences have been suggested to be the determinants of fragile gene proneness to breakage; however, their actual role and properties remain elusive. Our in silico analysis carried out genome-wide via the StabFlex algorithm, shows the conserved presence of highly flexible regions in budding yeast genome as well as in genomes of other Saccharomyces sensu stricto species. Flexibile peaks in S. cerevisiae identify 175 ORFs mapping on their 3'UTR, a region affecting mRNA translation, localization and stability. (TA)n repeats of different extension shape the central structure of peaks and co-localize with polyadenylation efficiency element (EE) signals. ORFs with flexible peaks share common features. Transcripts are characterized by decreased half-life: this is considered peculiar of genes involved in regulatory systems with high turnover; consistently, their function affects biological processes such as cell cycle regulation or stress response. Our findings support the functional importance of flexibility peaks, suggesting that the flexible sequence may be derived by an expansion of canonical TAYRTA polyadenylation efficiency element. The flexible (TA)n repeat amplification could be the outcome of an evolutionary neofunctionalization leading to a differential 3'-end processing and expression regulation in genes with peculiar function. Our study provides a new support to the functional role of flexibility in genomes and a

  4. Inherent conformational flexibility of F1-ATPase α-subunit.

    PubMed

    Hahn-Herrera, Otto; Salcedo, Guillermo; Barril, Xavier; García-Hernández, Enrique

    2016-09-01

    The core of F1-ATPase consists of three catalytic (β) and three noncatalytic (α) subunits, forming a hexameric ring in alternating positions. A wealth of experimental and theoretical data has provided a detailed picture of the complex role played by catalytic subunits. Although major conformational changes have only been seen in β-subunits, it is clear that α-subunits have to respond to these changes in order to be able to transmit information during the rotary mechanism. However, the conformational behavior of α-subunits has not been explored in detail. Here, we have combined unbiased molecular dynamics (MD) simulations and calorimetrically measured thermodynamic signatures to investigate the conformational flexibility of isolated α-subunits, as a step toward deepening our understanding of its function inside the α3β3 ring. The simulations indicate that the open-to-closed conformational transition of the α-subunit is essentially barrierless, which is ideal to accompany and transmit the movement of the catalytic subunits. Calorimetric measurements of the recombinant α-subunit from Geobacillus kaustophilus indicate that the isolated subunit undergoes no significant conformational changes upon nucleotide binding. Simulations confirm that the nucleotide-free and nucleotide-bound subunits show average conformations similar to that observed in the F1 crystal structure, but they reveal an increased conformational flexibility of the isolated α-subunit upon MgATP binding, which might explain the evolutionary conserved capacity of α-subunits to recognize nucleotides with considerable strength. Furthermore, we elucidate the different dependencies that α- and β-subunits show on Mg(II) for recognizing ATP.

  5. Eraser-based eco-friendly fabrication of a skin-like large-area matrix of flexible carbon nanotube strain and pressure sensors.

    PubMed

    Sahatiya, Parikshit; Badhulika, Sushmee

    2017-03-03

    This paper reports a new type of electronic, recoverable skin-like pressure and strain sensor, produced on a flexible, biodegradable pencil-eraser substrate and fabricated using a solvent-free, low-cost and energy efficient process. Multi-walled carbon nanotube (MWCNT) film, the strain sensing element, was patterned on pencil eraser with a rolling pin and a pre-compaction mechanical press. This induces high interfacial bonding between the MWCNTs and the eraser substrate, which enables the sensor to achieve recoverability under ambient conditions. The eraser serves as a substrate for strain sensing, as well as acting as a dielectric for capacitive pressure sensing, thereby eliminating the dielectric deposition step, which is crucial in capacitive-based pressure sensors. The strain sensing transduction mechanism is attributed to the tunneling effect, caused by the elastic behavior of the MWCNTs and the strong mechanical interlock between MWCNTs and the eraser substrate, which restricts slippage of MWCNTs on the eraser thereby minimizing hysteresis. The gauge factor of the strain sensor was calculated to be 2.4, which is comparable to and even better than most of the strain and pressure sensors fabricated with more complex designs and architectures. The sensitivity of the capacitive pressure sensor was found to be 0.135 MPa(-1).To demonstrate the applicability of the sensor as artificial electronic skin, the sensor was assembled on various parts of the human body and corresponding movements and touch sensation were monitored. The entire fabrication process is scalable and can be integrated into large areas to map spatial pressure distributions. This low-cost, easily scalable MWCNT pin-rolled eraser-based pressure and strain sensor has huge potential in applications such as artificial e-skin in flexible electronics and medical diagnostics, in particular in surgery as it provides high spatial resolution without a complex nanostructure architecture.

  6. Eraser-based eco-friendly fabrication of a skin-like large-area matrix of flexible carbon nanotube strain and pressure sensors

    NASA Astrophysics Data System (ADS)

    Sahatiya, Parikshit; Badhulika, Sushmee

    2017-03-01

    This paper reports a new type of electronic, recoverable skin-like pressure and strain sensor, produced on a flexible, biodegradable pencil-eraser substrate and fabricated using a solvent-free, low-cost and energy efficient process. Multi-walled carbon nanotube (MWCNT) film, the strain sensing element, was patterned on pencil eraser with a rolling pin and a pre-compaction mechanical press. This induces high interfacial bonding between the MWCNTs and the eraser substrate, which enables the sensor to achieve recoverability under ambient conditions. The eraser serves as a substrate for strain sensing, as well as acting as a dielectric for capacitive pressure sensing, thereby eliminating the dielectric deposition step, which is crucial in capacitive-based pressure sensors. The strain sensing transduction mechanism is attributed to the tunneling effect, caused by the elastic behavior of the MWCNTs and the strong mechanical interlock between MWCNTs and the eraser substrate, which restricts slippage of MWCNTs on the eraser thereby minimizing hysteresis. The gauge factor of the strain sensor was calculated to be 2.4, which is comparable to and even better than most of the strain and pressure sensors fabricated with more complex designs and architectures. The sensitivity of the capacitive pressure sensor was found to be 0.135 MPa-1.To demonstrate the applicability of the sensor as artificial electronic skin, the sensor was assembled on various parts of the human body and corresponding movements and touch sensation were monitored. The entire fabrication process is scalable and can be integrated into large areas to map spatial pressure distributions. This low-cost, easily scalable MWCNT pin-rolled eraser-based pressure and strain sensor has huge potential in applications such as artificial e-skin in flexible electronics and medical diagnostics, in particular in surgery as it provides high spatial resolution without a complex nanostructure architecture.

  7. Large-area flexible monolithic ITO/WO3/Nb2O5/NiVOχ/ITO electrochromic devices prepared by using magnetron sputter deposition

    NASA Astrophysics Data System (ADS)

    Tang, Chien-Jen; Ye, Jia-Ming; Yang, Yueh-Ting; He, Ju-Liang

    2016-05-01

    Electrochromic devices (ECDs) have been applied in smart windows to control the transmission of sunlight in green buildings, saving up to 40-50% electricity consumption and ultimately reducing carbon dioxide emissions. However, the high manufacturing costs and difficulty of transportation of conventional massive large area ECDs has limited widespread applications. A unique design replacing the glass substrate commonly used in the ECD windows with inexpensive, light-weight and flexible polymeric substrate materials would accelerate EC adoption allowing them to be supplemented for regular windows without altering window construction. In this study, an ITO/WO3/Nb2O5/NiVOχ/ITO all-solid-state monolithic ECD with an effective area of 24 cm × 18 cm is successfully integrated on a PET substrate by using magnetron sputter deposition. The electrochromic performance and bending durability of the resultant material are also investigated. The experimental results indicate that the ultimate response times for the prepared ECD is 6 s for coloring at an applied voltage of -3 V and 5 s for bleaching at an applied voltage of +3 V, respectively. The optical transmittances for the bleached and colored state at a wavelength of 633 nm are 53% and 11%, respectively. The prepared ECD can sustain over 8000 repeated coloring and bleaching cycles, as well as tolerate a bending radius of curvature of 7.5 cm.

  8. Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility.

    PubMed

    You, T J; Bashford, D

    1995-11-01

    A new method for including local conformational flexibility in calculations of the hydrogen ion titration of proteins using macroscopic electrostatic models is presented. Intrinsic pKa values and electrostatic interactions between titrating sites are calculated from an ensemble of conformers in which the positions of titrating side chains are systematically varied. The method is applied to the Asp, Glu, and Tyr residues of hen lysozyme. The effects of different minimization and/or sampling protocols for both single-conformer and multi-conformer calculations are studied. For single-conformer calculations it is found that the results are sensitive to the choice of all-hydrogen versus polar-hydrogen-only atomic models and to the minimization protocol chosen. The best overall agreement of single-conformer calculations with experiment is obtained with an all-hydrogen model and either a two-step minimization process or minimization using a high dielectric constant. Multi-conformational calculations give significantly improved agreement with experiment, slightly smaller shifts between model compound pKa values and calculated intrinsic pKa values, and reduced sensitivity of the intrinsic pKa calculations to the initial details of the structure compared to single-conformer calculations. The extent of these improvements depends on the type of minimization used during the generation of conformers, with more extensive minimization giving greater improvements. The ordering of the titrations of the active-site residues, Glu-35 and Asp-52, is particularly sensitive to the minimization and sampling protocols used. The balance of strong site-site interactions in the active site suggests a need for including site-site conformational correlations.

  9. Conformational flexibility in RNA: the role of dihydrouridine.

    PubMed Central

    Dalluge, J J; Hashizume, T; Sopchik, A E; McCloskey, J A; Davis, D R

    1996-01-01

    In order to further understand the structural role of the modified nucleoside dihydrouridine in RNA the solution conformations of Dp and ApDpA were analyzed by one- and two-dimensional proton NRM spectroscopy and compared with those of the related uridine-containing compounds. The analyses indicate that dihydrouridine significantly destabilizes the C3'-endo sugar conformation associated with base stacked, ordered, A-type helical RNA. Equilibrium constants (Keq = [C2'-endo]/[C3'-endo]) for C2'-endo-C3'-endo interconversion at 25 degrees C for Dp, the 5'-terminal A of ApDpA and D in ApDpA are 2.08, 1.35 and 10.8 respectively. Stabilization of the C2'-endo form was shown to be enhanced at low temperature, indicating that C2'-endo is the thermodynamically favored conformation for dihydrouridine. DeltaH values show that for Dp the C2'-endo sugar conformation is stabilized by 1.5 kcal/mol compared with Up. This effect is amplified for D in the oligonucleotide ApDpA and propagated to the 5'-neighboring A, with stabilization of the C2'-endo form by 5.3 kcal/mol for D and 3.6 kcal/mol for the 5'-terminal A. Post-transcriptional formation of dihydrouridine therefore represents a biological strategy opposite in effect to ribose methylation, 2-thiolation or pseudouridylation, all of which enhance regional stability through stabilization of the C3'-endo conformer. Dihydrouridine effectively promotes the C2'-endo sugar conformation, allowing for greater conformational flexibility and dynamic motion in regions of RNA where tertiary interactions and loop formation must be simultaneously accommodated. PMID:8604341

  10. The valence electronic structure and conformational flexibility of epichlorohydrin.

    PubMed

    Stranges, S; Alagia, M; Decleva, P; Stener, M; Fronzoni, G; Toffoli, D; Speranza, M; Catone, D; Turchini, S; Prosperi, T; Zema, N; Contini, G; Keheyan, Y

    2011-07-21

    The electronic structure of epichlorohydrin is investigated in the whole valence region by a combined experimental and theoretical study. The issue of controversial assignments of the molecular electronic structure is here addressed. Photoelectron spectra (PES) and Threshold Photoelectron spectra (TPES) of room temperature molecules in the gas phase are recorded. Geometries and energies of the stable conformers due to internal rotation of the C-C-C-Cl dihedral angle, gauche-II (g-II), gauche-I (g-I), and cis, are calculated, and the effect of the conformational flexibility on the photoionization energetics is studied by DFT and 2h-1p Configuration Interaction (CI) methods. Strong breakdown of the Koopmans Theorem (KT) is obtained for the four outermost ionizations, which are further investigated by higher level ab initio calculations. The full assignment of the spectrum is put on a firm basis by the combination of experimental and theoretical results. The orbital composition from correlated calculations is found closer to the DFT orbitals, which are then used to analyze the electronic structure of the molecule. The Highest Occupied Molecular Orbital (HOMO) and HOMO--2 are n(O)/n(Cl) mixed orbitals. The nature of each valence MO is generally preserved in all the conformers, although the magnitude of the n(O)/n(Cl) mixing in HOMO and HOMO--2 varies to some extent with the C-C-C-Cl dihedral angle. The low energy part of the HOMO PE band is predicted to be substantially affected by the conformational flexibility, as experimentally observed in the spectra. The rest of the spectrum is described in terms of the dominant conformer g-II, and a good agreement between experiment and theory is found. The inner-valence PE spectrum is characterized by satellite structures, due to electron correlation effects, which are interpreted by means of 2h-1p CI calculations.

  11. A chemical chaperone induces inhomogeneous conformational changes in flexible proteins.

    PubMed

    Hamdane, Djemel; Velours, Christophe; Cornu, David; Nicaise, Magali; Lombard, Murielle; Fontecave, Marc

    2016-07-27

    Organic osmolytes also known as chemical chaperones are major cellular compounds that favor, by an unclear mechanism, protein's compaction and stabilization of the native state. Here, we have examined the chaperone effect of the naturally occurring trimethylamine N-oxide (TMAO) osmolyte on a loosely packed protein (LPP), known to be a highly flexible form, using an apoprotein mutant of the flavin-dependent RNA methyltransferase as a model. Thermal and chemical denaturation experiments showed that TMAO stabilizes the structural integrity of the apoprotein dramatically. The denaturation reaction is irreversible indicating that the stability of the apoprotein is under kinetic control. This result implies that the stabilization is due to a TMAO-induced reconfiguration of the flexible LPP state, which leads to conformational limitations of the apoprotein likely driven by favorable entropic contribution. Evidence for the conformational perturbation of the apoprotein had been obtained through several biophysical approaches notably analytical ultracentrifugation, circular dichroism, fluorescence spectroscopy, labelling experiments and proteolysis coupled to mass spectrometry. Unexpectedly, TMAO promotes an overall elongation or asymmetrical changes of the hydrodynamic shape of the apoprotein without alteration of the secondary structure. The modulation of the hydrodynamic properties of the protein is associated with diverse inhomogenous conformational changes: loss of the solvent accessible cavities resulting in a dried protein matrix; some side-chain residues initially buried become solvent exposed while some others become hidden. Consequently, the TMAO-induced protein state exhibits impaired capability in the flavin binding process. Our study suggests that the nature of protein conformational changes induced by the chemical chaperones may be specific to protein packing and plasticity. This could be an efficient mechanism by which the cell controls and finely tunes the

  12. Flexibility and conformation of the cocaine aptamer studied by PELDOR.

    PubMed

    Grytz, C M; Marko, A; Cekan, P; Sigurdsson, S Th; Prisner, T F

    2016-01-28

    The cocaine aptamer is a DNA three-way junction that binds cocaine at its helical junction. We studied the global conformation and overall flexibility of the aptamer in the absence and presence of cocaine by pulsed electron-electron double resonance (PELDOR) spectroscopy, also called double electron-electron resonance (DEER). The rigid nitroxide spin label Ç was incorporated pairwise into two helices of the aptamer. Multi-frequency 2D PELDOR experiments allow the determination of the mutual orientation and the distances between two Çs. Since Ç is rigidly attached to double-stranded DNA, it directly reports on the aptamer dynamics. The cocaine-bound and the non-bound states could be differentiated by their conformational flexibility, which decreases upon binding to cocaine. We observed a small change in the width and mean value of the distance distribution between the two spin labels upon cocaine binding. Further structural insights were obtained by investigating the relative orientation between the two spin-labeled stems of the aptamer. We determined the bend angle between this two stems. By combining the orientation information with a priori knowledge about the secondary structure of the aptamer, we obtained a molecular model describing the global folding and flexibility of the cocaine aptamer.

  13. What causes hyperfluorescence: folding intermediates or conformationally flexible native states?

    PubMed Central

    Ervin, John; Larios, Edgar; Osváth, Szabolcs; Schulten, Klaus; Gruebele, Martin

    2002-01-01

    Hyperfluorescent intensity maxima during protein unfolding titrations are often taken as a sign for a thermodynamic folding intermediate. Here we explore another possibility: that hyperfluorescence could be the signature of a "pretransition" conformationally loosened native state. To model such native states, we study mutants of a fluorescent ubiquitin variant, placing cavities at various distances from the tryptophan fluorophore. We examine the correlation between protein flexibility and enhanced fluorescence intensity by using circular dichroism, fluorescence intensity unfolding titrations, fluorescence anisotropy measurements, and molecular dynamics. Based on experiment and simulation, we propose a simple model for hyperfluorescence in terms of static and dynamic conformational properties of the native state during unfolding. Apomyoglobin denaturant unfolding and phosphoglycerate kinase cold denaturation are discussed as examples. Our results do not preclude the existence of thermodynamic intermediates but do raise caution that by itself, hyperfluorescence during unfolding titrations is not conclusive proof of thermodynamic folding intermediates. PMID:12080134

  14. Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.

    PubMed

    Huang, Zunnan; Wong, Chung F

    2009-03-01

    Protein kinases have high structural plasticity: their structure can change significantly, depending on what ligands are bound to them. Rigid-protein docking methods are not capable of describing such effects. Here, we present a new flexible-ligand flexible-protein docking model in which the protein can adopt conformations between two extremes observed experimentally. The model utilized a molecular dynamics-based simulated annealing cycling protocol and a distance-dependent dielectric model to perform docking. By testing this model on docking four diverse ligands to protein kinase A, we found that the ligands were able to dock successfully to the protein with the proper conformations of the protein induced. By imposing relatively soft conformational restraints to the protein during docking, this model reduced computational costs yet permitted essential conformational changes that were essential for these inhibitors to dock properly to the protein. For example, without adequate movement of the glycine-rich loop, it was difficult for the ligands to move from the surface of the protein to the binding site. In addition, these simulations called for better ways to compare simulation results with experiment other than using the popular root-mean-square deviation between the structure of a ligand in a docking pose and that in experiment because the structure of the protein also changed. In this work, we also calculated the correlation coefficient between protein-ligand/protein-protein distances in the docking structure and those in the crystal structure to check how well a ligand docked into the binding site of the protein and whether the proper conformation of the protein was induced.

  15. Flexible conformable hydrophobized surfaces for turbulent flow drag reduction

    PubMed Central

    Brennan, Joseph C; Geraldi, Nicasio R; Morris, Robert H; Fairhurst, David J; McHale, Glen; Newton, Michael I

    2015-01-01

    In recent years extensive work has been focused onto using superhydrophobic surfaces for drag reduction applications. Superhydrophobic surfaces retain a gas layer, called a plastron, when submerged underwater in the Cassie-Baxter state with water in contact with the tops of surface roughness features. In this state the plastron allows slip to occur across the surface which results in a drag reduction. In this work we report flexible and relatively large area superhydrophobic surfaces produced using two different methods: Large roughness features were created by electrodeposition on copper meshes; Small roughness features were created by embedding carbon nanoparticles (soot) into Polydimethylsiloxane (PDMS). Both samples were made into cylinders with a diameter under 12 mm. To characterize the samples, scanning electron microscope (SEM) images and confocal microscope images were taken. The confocal microscope images were taken with each sample submerged in water to show the extent of the plastron. The hydrophobized electrodeposited copper mesh cylinders showed drag reductions of up to 32% when comparing the superhydrophobic state with a wetted out state. The soot covered cylinders achieved a 30% drag reduction when comparing the superhydrophobic state to a plain cylinder. These results were obtained for turbulent flows with Reynolds numbers 10,000 to 32,500. PMID:25975704

  16. Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis

    NASA Astrophysics Data System (ADS)

    Bodra, Nandita; Young, David; Astolfi Rosado, Leonardo; Pallo, Anna; Wahni, Khadija; de Proft, Frank; Huang, Jingjing; van Breusegem, Frank; Messens, Joris

    2017-02-01

    Dehydroascorbate reductase (DHAR) catalyzes the glutathione (GSH)-dependent reduction of dehydroascorbate and plays a direct role in regenerating ascorbic acid, an essential plant antioxidant vital for defense against oxidative stress. DHAR enzymes bear close structural homology to the glutathione transferase (GST) superfamily of enzymes and contain the same active site motif, but most GSTs do not exhibit DHAR activity. The presence of a cysteine at the active site is essential for the catalytic functioning of DHAR, as mutation of this cysteine abolishes the activity. Here we present the crystal structure of DHAR2 from Arabidopsis thaliana with GSH bound to the catalytic cysteine. This structure reveals localized conformational differences around the active site which distinguishes the GSH-bound DHAR2 structure from that of DHAR1. We also unraveled the enzymatic step in which DHAR releases oxidized glutathione (GSSG). To consolidate our structural and kinetic findings, we investigated potential conformational flexibility in DHAR2 by normal mode analysis and found that subdomain mobility could be linked to GSH binding or GSSG release.

  17. Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis

    PubMed Central

    Bodra, Nandita; Young, David; Astolfi Rosado, Leonardo; Pallo, Anna; Wahni, Khadija; De Proft, Frank; Huang, Jingjing; Van Breusegem, Frank; Messens, Joris

    2017-01-01

    Dehydroascorbate reductase (DHAR) catalyzes the glutathione (GSH)-dependent reduction of dehydroascorbate and plays a direct role in regenerating ascorbic acid, an essential plant antioxidant vital for defense against oxidative stress. DHAR enzymes bear close structural homology to the glutathione transferase (GST) superfamily of enzymes and contain the same active site motif, but most GSTs do not exhibit DHAR activity. The presence of a cysteine at the active site is essential for the catalytic functioning of DHAR, as mutation of this cysteine abolishes the activity. Here we present the crystal structure of DHAR2 from Arabidopsis thaliana with GSH bound to the catalytic cysteine. This structure reveals localized conformational differences around the active site which distinguishes the GSH-bound DHAR2 structure from that of DHAR1. We also unraveled the enzymatic step in which DHAR releases oxidized glutathione (GSSG). To consolidate our structural and kinetic findings, we investigated potential conformational flexibility in DHAR2 by normal mode analysis and found that subdomain mobility could be linked to GSH binding or GSSG release. PMID:28195196

  18. Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.

    PubMed

    Fischer, Marcus; Coleman, Ryan G; Fraser, James S; Shoichet, Brian K

    2014-07-01

    Proteins fluctuate between alternative conformations, which presents a challenge for ligand discovery because such flexibility is difficult to treat computationally owing to problems with conformational sampling and energy weighting. Here we describe a flexible docking method that samples and weights protein conformations using experimentally derived conformations as a guide. The crystallographically refined occupancies of these conformations, which are observable in an apo receptor structure, define energy penalties for docking. In a large prospective library screen, we identified new ligands that target specific receptor conformations of a cavity in cytochrome c peroxidase, and we confirm both ligand pose and associated receptor conformation predictions by crystallography. The inclusion of receptor flexibility led to ligands with new chemotypes and physical properties. By exploiting experimental measures of loop and side-chain flexibility, this method can be extended to the discovery of new ligands for hundreds of targets in the Protein Data Bank for which similar experimental information is available.

  19. Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery

    NASA Astrophysics Data System (ADS)

    Fischer, Marcus; Coleman, Ryan G.; Fraser, James S.; Shoichet, Brian K.

    2014-07-01

    Proteins fluctuate between alternative conformations, which presents a challenge for ligand discovery because such flexibility is difficult to treat computationally owing to problems with conformational sampling and energy weighting. Here we describe a flexible docking method that samples and weights protein conformations using experimentally derived conformations as a guide. The crystallographically refined occupancies of these conformations, which are observable in an apo receptor structure, define energy penalties for docking. In a large prospective library screen, we identified new ligands that target specific receptor conformations of a cavity in cytochrome c peroxidase, and we confirm both ligand pose and associated receptor conformation predictions by crystallography. The inclusion of receptor flexibility led to ligands with new chemotypes and physical properties. By exploiting experimental measures of loop and side-chain flexibility, this method can be extended to the discovery of new ligands for hundreds of targets in the Protein Data Bank for which similar experimental information is available.

  20. Unprecedented folding in linker based flexible tripodal molecule and their conformational analysis

    NASA Astrophysics Data System (ADS)

    Gaurav, Archana; Kumar, Ranjeet; Gupta, Hariom; Ravikumar, K.; Sridhar, B.; Tewari, Ashish Kumar

    2017-04-01

    Here, we first time report the flexible tripodal molecules, contained propylene as a linker, thiocyanuric acid as central core and, p-nitro phenol 1 and pyridazinone 2 as terminal for conformational studies. The conformational studies of these tripodal molecules have been carried by X-ray crystallography, 2D-NOESY spectra and computational studies. Both the molecules have shown folded conformations in solid and solution state however solid state conformation is not stable in gaseous state.

  1. Large area LED package

    NASA Astrophysics Data System (ADS)

    Goullon, L.; Jordan, R.; Braun, T.; Bauer, J.; Becker, F.; Hutter, M.; Schneider-Ramelow, M.; Lang, K.-D.

    2015-03-01

    Solid state lighting using LED-dies is a rapidly growing market. LED-dies with the needed increasing luminous flux per chip area produce a lot of heat. Therefore an appropriate thermal management is required for general lighting with LEDdies. One way to avoid overheating and shorter lifetime is the use of many small LED-dies on a large area heat sink (down to 70 μm edge length), so that heat can spread into a large area while at the same time light also appears on a larger area. The handling with such small LED-dies is very difficult because they are too small to be picked with common equipment. Therefore a new concept called collective transfer bonding using a temporary carrier chip was developed. A further benefit of this new technology is the high precision assembly as well as the plane parallel assembly of the LED-dies which is necessary for wire bonding. It has been shown that hundred functional LED-dies were transferred and soldered at the same time. After the assembly a cost effective established PCB-technology was applied to produce a large-area light source consisting of many small LED-dies and electrically connected on a PCB-substrate. The top contacts of the LED-dies were realized by laminating an adhesive copper sheet followed by LDI structuring as known from PCB-via-technology. This assembly can be completed by adding converting and light forming optical elements. In summary two technologies based on standard SMD and PCB technology have been developed for panel level LED packaging up to 610x 457 mm2 area size.

  2. A High-On/Off-Ratio Floating-Gate Memristor Array on a Flexible Substrate via CVD-Grown Large-Area 2D Layer Stacking.

    PubMed

    Vu, Quoc An; Kim, Hyun; Nguyen, Van Luan; Won, Ui Yeon; Adhikari, Subash; Kim, Kunnyun; Lee, Young Hee; Yu, Woo Jong

    2017-09-26

    Memristors such as phase-change memory and resistive memory have been proposed to emulate the synaptic activities in neuromorphic systems. However, the low reliability of these types of memories is their biggest challenge for commercialization. Here, a highly reliable memristor array using floating-gate memory operated by two terminals (source and drain) using van der Waals layered materials is demonstrated. Centimeter-scale samples (1.5 cm × 1.5 cm) of MoS2 as a channel and graphene as a trap layer grown by chemical vapor deposition (CVD) are used for array fabrication with Al2 O3 as the tunneling barrier. With regard to the memory characteristics, 93% of the devices exhibit an on/off ratio of over 10(3) with an average ratio of 10(4) . The high on/off ratio and reliable endurance in the devices allow stable 6-level memory applications. The devices also exhibit excellent memory durability over 8000 cycles with a negligible shift in the threshold voltage and on-current, which is a significant improvement over other types of memristors. In addition, the devices can be strained up to 1% by fabricating on a flexible substrate. This demonstration opens a practical route for next-generation electronics with CVD-grown van der Waals layered materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. A molecular dynamics description of the conformational flexibility of the L-iduronate ring in glycosaminoglycans.

    PubMed

    Angulo, Jesús; Nieto, Pedro M; Martín-Lomas, Manuel

    2003-07-07

    For a synthetic hexasaccharide model it is shown that the conformational flexibility of the L-iduronate ring in glycosaminoglycans can be adequately described by using the PME methodology together with simulation protocols suitable for highly charged systems.

  4. Large area mass analyzer

    NASA Astrophysics Data System (ADS)

    Rachev, Mikhail; Srama, Ralf; Srowig, Andre; Grün, Eberhard

    2004-12-01

    A new time-of-flight spectrometer for the chemical analysis of cosmic dust particles in space has been simulated by Simion 7.0. The instrument is based upon impact ionization. This method is a reliable method for in situ dust detection and is well established. Instruments using the impact ionization flew on board of Helios and Galileo and are still in operation on board of the Ulysses and Cassini-Huygens missions. The new instrument has a large sensitive area of 0.1 m2 in order to achieve a significant number of measurements. The mass resolution M/ΔM>100 and the mass range covers the most relevant elements expected in cosmic dust. The instrument has a reflectron configuration which increases the mass resolution. Most of the ions released during the impact are focused to the detector. The ion detector consists of a large area ion-to-electron converter, an electron reflectron and a microchannel plate detector.

  5. The Large Area Telescope

    SciTech Connect

    Michelson, Peter F.; /KIPAC, Menlo Park /Stanford U., HEPL

    2007-11-13

    The Large Area Telescope (LAT), one of two instruments on the Gamma-ray Large Area Space Telescope (GLAST) mission, is an imaging, wide field-of-view, high-energy pair-conversion telescope, covering the energy range from {approx}20 MeV to more than 300 GeV. The LAT is being built by an international collaboration with contributions from space agencies, high-energy particle physics institutes, and universities in France, Italy, Japan, Sweden, and the United States. The scientific objectives the LAT will address include resolving the high-energy gamma-ray sky and determining the nature of the unidentified gamma-ray sources and the origin of the apparently isotropic diffuse emission observed by EGRET; understanding the mechanisms of particle acceleration in celestial sources, including active galactic nuclei, pulsars, and supernovae remnants; studying the high-energy behavior of gamma-ray bursts and transients; using high-energy gamma-rays to probe the early universe to z {ge} 6; and probing the nature of dark matter. The components of the LAT include a precision silicon-strip detector tracker and a CsI(Tl) calorimeter, a segmented anticoincidence shield that covers the tracker array, and a programmable trigger and data acquisition system. The calorimeter's depth and segmentation enable the high-energy reach of the LAT and contribute significantly to background rejection. The aspect ratio of the tracker (height/width) is 0.4, allowing a large field-of-view and ensuring that nearly all pair-conversion showers initiated in the tracker will pass into the calorimeter for energy measurement. This paper includes a description of each of these LAT subsystems as well as a summary of the overall performance of the telescope.

  6. Large area Czochralski silicon

    NASA Technical Reports Server (NTRS)

    Rea, S. N.; Gleim, P. S.

    1977-01-01

    The overall cost effectiveness of the Czochralski process for producing large-area silicon was determined. The feasibility of growing several 12 cm diameter crystals sequentially at 12 cm/h during a furnace run and the subsequent slicing of the ingot using a multiblade slurry saw were investigated. The goal of the wafering process was a slice thickness of 0.25 mm with minimal kerf. A slice + kerf of 0.56 mm was achieved on 12 cm crystal using both 400 grit B4C and SiC abrasive slurries. Crystal growth experiments were performed at 12 cm diameter in a commercially available puller with both 10 and 12 kg melts. Several modifications to the puller hoz zone were required to achieve stable crystal growth over the entire crystal length and to prevent crystallinity loss a few centimeters down the crystal. The maximum practical growth rate for 12 cm crystal in this puller design was 10 cm/h, with 12 to 14 cm/h being the absolute maximum range at which melt freeze occurred.

  7. Cyclic Constraints on Conformational Flexibility in γ-PEPTIDES: Conformation-Specific IR and UV Spectroscopy

    NASA Astrophysics Data System (ADS)

    Walsh, Patrick S.; Kusaka, Ryoji; Zwier, Timothy S.; Fisher, Brian F.; Gellman, Samuel H.

    2013-06-01

    Spectroscopic studies of flexible peptides in the gas phase can provide insight to their inherent structural preferences in the absence of solvent. Recently, there has been increased attention paid to synthetic foldamers containing non-natural residues that can be specifically engineered to robustly form particular secondary structures. These engineered peptides have potential in therapeutic drug design because they are resistant to enzymatic degradation. Specifically, the Gellman group has synthesized a γ-peptide with a six membered cyclic constraint in the γ^{4}-γ^{3} position and an ethyl group at the γ^{2} position (γ_{ACHC}). The three stereocenters have a well-defined chirality [S,S,S]. These two features constrain the relative orientation of adjacent amide groups, thereby favoring a particular "pitch" to the turn. Solution phase results indicate that constrained γ-peptides induce the formation of a 14-helix. Ac-γ_{ACHC}-NHBz, its monohydrate and Ac-γ_{ACHC}-γ_{ACHC}-NHBz have been studied using ultraviolet (UV) and infrared (IR) double-resonance methods to obtain conformation-specific spectra under jet-cooled conditions in the gas phase. IR spectra in the hydride stretch (3300-3750 cm^{-1}), amide I/II and OH bend (1400-1800 cm^{-1}) were recorded and compared to predictions using density functional methods (DFT) and harmonic frequency calculations. We will compare the present results on constrained γ-peptides with corresponding results on unconstrained analogs. Data obtained for the monohydrated water cluster of Ac-γ_{ACHC}-NHBz will also be presented, including assignment of the water bend fundamental, which appears in the midst of transitions due to the amide II vibrations. L. Guo, W. Zhang, A. G. Reidenbach, M. W. Giuliano, I. A. Guzei, L. C. Spencer and S. H. Gellman Angew. Chem. Int. Ed. 2011, 50, 5843-5846

  8. Flexible Near-Field Nanopatterning with Ultrathin, Conformal Phase Masks on Nonplanar Substrates for Biomimetic Hierarchical Photonic Structures.

    PubMed

    Kwon, Young Woo; Park, Junyong; Kim, Taehoon; Kang, Seok Hee; Kim, Hyowook; Shin, Jonghwa; Jeon, Seokwoo; Hong, Suck Won

    2016-04-26

    Multilevel hierarchical platforms that combine nano- and microstructures have been intensively explored to mimic superior properties found in nature. However, unless directly replicated from biological samples, desirable multiscale structures have been challenging to efficiently produce to date. Departing from conventional wafer-based technology, new and efficient techniques suitable for fabricating bioinspired structures are highly desired to produce three-dimensional architectures even on nonplanar substrates. Here, we report a facile approach to realize functional nanostructures on uneven microstructured platforms via scalable optical fabrication techniques. The ultrathin form (∼3 μm) of a phase grating composed of poly(vinyl alcohol) makes the material physically flexible and enables full-conformal contact with rough surfaces. The near-field optical effect can be identically generated on highly curved surfaces as a result of superior conformality. Densely packed nanodots with submicron periodicity are uniformly formed on microlens arrays with a radius of curvature that is as low as ∼28 μm. Increasing the size of the gratings causes the production area to be successfully expanded by up to 16 in(2). The "nano-on-micro" structures mimicking real compound eyes are transferred to flexible and stretchable substrates by sequential imprinting, facilitating multifunctional optical films applicable to antireflective diffusers for large-area sheet-illumination displays.

  9. Flexible digital x-ray technology for far-forward remote diagnostic and conformal x-ray imaging applications

    NASA Astrophysics Data System (ADS)

    Smith, Joseph; Marrs, Michael; Strnad, Mark; Apte, Raj B.; Bert, Julie; Allee, David; Colaneri, Nicholas; Forsythe, Eric; Morton, David

    2013-05-01

    Today's flat panel digital x-ray image sensors, which have been in production since the mid-1990s, are produced exclusively on glass substrates. While acceptable for use in a hospital or doctor's office, conventional glass substrate digital x-ray sensors are too fragile for use outside these controlled environments without extensive reinforcement. Reinforcement, however, significantly increases weight, bulk, and cost, making them impractical for far-forward remote diagnostic applications, which demand rugged and lightweight x-ray detectors. Additionally, glass substrate x-ray detectors are inherently rigid. This limits their use in curved or bendable, conformal x-ray imaging applications such as the non-destructive testing (NDT) of oil pipelines. However, by extending low-temperature thin-film transistor (TFT) technology previously demonstrated on plastic substrate- based electrophoretic and organic light emitting diode (OLED) flexible displays, it is now possible to manufacture durable, lightweight, as well as flexible digital x-ray detectors. In this paper, we discuss the principal technical approaches used to apply flexible display technology to two new large-area flexible digital x-ray sensors for defense, security, and industrial applications and demonstrate their imaging capabilities. Our results include a 4.8″ diagonal, 353 x 463 resolution, flexible digital x-ray detector, fabricated on a 6″ polyethylene naphthalate (PEN) plastic substrate; and a larger, 7.9″ diagonal, 720 x 640 resolution, flexible digital x-ray detector also fabricated on PEN and manufactured on a gen 2 (370 x 470 mm) substrate.

  10. PyCFTBoot: A Flexible Interface for the Conformal Bootstrap

    NASA Astrophysics Data System (ADS)

    Behan, Connor

    2017-07-01

    We introduce PyCFTBoot, a wrapper designed to reduce the barrier to entry in conformal bootstrap calculations that require semidefinite programming. Symengine and SDPB are used for the most intensive symbolic and numerical steps respectively. After reviewing the built-in algorithms for conformal blocks, we explain how to use the code through a number of examples that verify past results. As an application, we show that the multi-correlator bootstrap still appears to single out the Wilson-Fisher fixed points as special theories in dimensions between 3 and 4 despite the recent proof that they violate unitarity.

  11. NMR observation of rotory conformers in flexible-chain polymers

    SciTech Connect

    Sadykov, R.K.; Makhiyanov, N.; Kurbatov, V.A.; Savel'ev, V.S.; Kirpichnikov, P.A.

    1987-08-01

    The authors conduct a comprehensive line analysis of the NMR spectra of a number of polymers, including cis-1,4-polyisoprenes, cis-1-4-polybutadiene, polyisobutylene, and polyethylene, in a deuterated benzene solvent. Data are given on hyperfine structure and spin-spin coupling constants along with conformational behavior and a negative Overhauser effect observed in the isomers.

  12. Laser probes of the potential energy landscapes and conformational isomerization dynamics of flexible biomolecules

    NASA Astrophysics Data System (ADS)

    Dian, Brian; Clarkson, Jasper; Zwier, Timothy

    2003-03-01

    Using a combination of 2-color resonant two-photon ionization (R2PI), laser-induced fluorescence excitation (LIF), resonant ion-dip infrared spectroscopy (RIDIRS), fluorescence-dip infrared spectroscopy (FDIRS), and UV-UV hole-burning spectroscopy, the conformational preferences of a series of flexible biomolecules, including melatonin, N-acetyl-tryptophan methyl amide (NATMA), and their close analogs, have been determined in a molecular beam. These molecules are sufficiently complex to have hundreds of conformational minima, yet small enough that their potential energy landscapes can be explored in some detail. Once the conformational preferences of the molecules are established, these molecules are then studied using infrared-ultraviolet hole-filling and IR-induced population transfer spectroscopy. These methods utilize selective infrared excitation of single conformations of the molecule in the early portions of a gas-phase expansion, followed by collisional re-cooling of the excited population into its conformational minima for subsequent conformation-specific detection. Efficient isomerization is induced by the infrared excitation that redistributes population between the same conformations that have population in the absence of infrared excitation. Examples will be given in which the quantum yields for transfer of the population into the various conformational minima depend both on which conformation is excited and on which hydride stretch vibration is excited within a given conformation; that is, they are both conformation-selective and mode-selective.

  13. Flexible backbone sampling methods to model and design protein alternative conformations.

    PubMed

    Ollikainen, Noah; Smith, Colin A; Fraser, James S; Kortemme, Tanja

    2013-01-01

    Sampling alternative conformations is key to understanding how proteins work and engineering them for new functions. However, accurately characterizing and modeling protein conformational ensembles remain experimentally and computationally challenging. These challenges must be met before protein conformational heterogeneity can be exploited in protein engineering and design. Here, as a stepping stone, we describe methods to detect alternative conformations in proteins and strategies to model these near-native conformational changes based on backrub-type Monte Carlo moves in Rosetta. We illustrate how Rosetta simulations that apply backrub moves improve modeling of point mutant side-chain conformations, native side-chain conformational heterogeneity, functional conformational changes, tolerated sequence space, protein interaction specificity, and amino acid covariation across protein-protein interfaces. We include relevant Rosetta command lines and RosettaScripts to encourage the application of these types of simulations to other systems. Our work highlights that critical scoring and sampling improvements will be necessary to approximate conformational landscapes. Challenges for the future development of these methods include modeling conformational changes that propagate away from designed mutation sites and modulating backbone flexibility to predictively design functionally important conformational heterogeneity. Copyright © 2013 Elsevier Inc. All rights reserved.

  14. Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

    PubMed Central

    2016-01-01

    A new molecular descriptor, nConf20, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular molecule are the rotatable bond count (RBC) and the Kier flexibility index. We present a descriptor which captures this information by sampling the conformational space of a molecule using the RDKit conformer generator. Flexibility has previously been identified as a key feature in determining whether a molecule is likely to crystallize or not. For this application, nConf20 significantly outperforms previously reported single-variable classifiers and also assists rule-based analysis of black-box machine learning classification algorithms. PMID:28024401

  15. Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor.

    PubMed

    Wicker, Jerome G P; Cooper, Richard I

    2016-12-27

    A new molecular descriptor, nConf20, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular molecule are the rotatable bond count (RBC) and the Kier flexibility index. We present a descriptor which captures this information by sampling the conformational space of a molecule using the RDKit conformer generator. Flexibility has previously been identified as a key feature in determining whether a molecule is likely to crystallize or not. For this application, nConf20 significantly outperforms previously reported single-variable classifiers and also assists rule-based analysis of black-box machine learning classification algorithms.

  16. Characterizing Solution Surface Loop Conformational Flexibility of the GM2 Activator Protein

    PubMed Central

    2015-01-01

    GM2AP has a β-cup topology with numerous X-ray structures showing multiple conformations for some of the surface loops, revealing conformational flexibility that may be related to function, where function is defined as either membrane binding associated with ligand binding and extraction or interaction with other proteins. Here, site-directed spin labeling (SDSL) electron paramagnetic resonance (EPR) spectroscopy and molecular dynamic (MD) simulations are used to characterize the mobility and conformational flexibility of various structural regions of GM2AP. A series of 10 single cysteine amino acid substitutions were generated, and the constructs were chemically modified with the methanethiosulfonate spin label. Continuous wave (CW) EPR line shapes were obtained and subsequently simulated using the microscopic order macroscopic disorder (MOMD) program. Line shapes for sites that have multiple conformations in the X-ray structures required two spectral components, whereas spectra of the remaining sites were adequately fit with single-component parameters. For spin labeled sites L126C and I66C, spectra were acquired as a function of temperature, and simulations provided for the determination of thermodynamic parameters associated with conformational change. Binding to GM2 ligand did not alter the conformational flexibility of the loops, as evaluated by EPR and NMR spectroscopies. These results confirm that the conformational flexibility observed in the surface loops of GM2AP crystals is present in solution and that the exchange is slow on the EPR time scale (>ns). Furthermore, MD simulation results are presented and agree well with the conformational heterogeneity revealed by SDSL. PMID:25127419

  17. A Structure-free Method for Quantifying Conformational Flexibility in proteins

    PubMed Central

    Burger, Virginia M.; Arenas, Daniel J.; Stultz, Collin M.

    2016-01-01

    All proteins sample a range of conformations at physiologic temperatures and this inherent flexibility enables them to carry out their prescribed functions. A comprehensive understanding of protein function therefore entails a characterization of protein flexibility. Here we describe a novel approach for quantifying a protein’s flexibility in solution using small-angle X-ray scattering (SAXS) data. The method calculates an effective entropy that quantifies the diversity of radii of gyration that a protein can adopt in solution and does not require the explicit generation of structural ensembles to garner insights into protein flexibility. Application of this structure-free approach to over 200 experimental datasets demonstrates that the methodology can quantify a protein’s disorder as well as the effects of ligand binding on protein flexibility. Such quantitative descriptions of protein flexibility form the basis of a rigorous taxonomy for the description and classification of protein structure. PMID:27358108

  18. Thermodynamic signatures in macromolecular interactions involving conformational flexibility.

    PubMed

    Menzel, Anja; Neumann, Piotr; Schwieger, Christian; Stubbs, Milton T

    2014-07-01

    The energetics of macromolecular interactions are complex, particularly where protein flexibility is involved. Exploiting serendipitous differences in the plasticity of a series of closely related trypsin variants, we analyzed the enthalpic and entropic contributions accompanying interaction with L45K-eglin C. Binding of the four variants show significant differences in released heat, although the affinities vary little, in accordance with the principle of enthalpy-entropy compensation. Binding of the most disordered variant is almost entirely enthalpically driven, with practically no entropy change. As structures of the complexes reveal negligible differences in protein-inhibitor contacts, we conclude that solvent effects contribute significantly to binding affinities.

  19. Stowable large area solar power module

    SciTech Connect

    Hanak, J.J.

    1987-12-15

    A stowable, deployable large area solar module is described comprising: discrete, interconnected, flexible, large area solar panels; hinge means operatively disposed on the panels so as to provide for the relative planar displacement of the folded panels of the module when the panels are folded in overlying sandwiched relationship; the hinge means also operatively disposed so as to provide for the folded panels to be rolled into a stowable, substantially cylindrical configuration. The hinge means comprise: hinge knuckles associated with at least one edge of each large area panel, each of the knuckles including a passage therethrough adapted to receive pintle means, the knuckles of adjacent panels disposed in a spaced apart, generally coplanar, interdigitating relationship; and, flexible pintle means disposed so as to sequentially pass through the interdigitating knuckles, whereby the spaced apart knuckles allow for a degree of planar displacement of adjoining large area panels relative to one another, as well as allowing for the folding of the panels in a sandwiched relationship and the flexible pintle means allows for the panels to be rolled into the substantially cylindrical configuration.

  20. Inspection des pieces flexibles sans gabarit de conformation

    NASA Astrophysics Data System (ADS)

    Aidibe, Ali

    In this thesis, we focus on the automation of the fixtureless geometric inspection of non-rigid (or compliant) parts. The primary objective of this project is to handle virtually this type of component and their point cloud, which represents a scan taken in a Free State condition, by eliminating the use of very expensive and complicated specialized fixtures posing productivity problems for manufacturing companies. This topic is a very high interest in the transport sector and, more specifically, in the aerospace one in order to significantly improve its productivity and its degree of competitiveness. The thesis is organized by articles. The study is divided over four phases. The first three phases will be represented by three journal papers and the fourth phase is presented as an appendix. The first phase of this work is intended to improve the identification module of an existing inspection mathematical tool " IDI: The Iterative Displacement Inspection " which has been developed by the research team working under the supervision of professor Tahan at ETS. The identification module aims to distinguish between defects that are due to the manufacturing process and deformations that are due to the flexibility of the part (gravity and residual stress effects). We propose to replace the original module with a new one which is based on the extreme value statistical analysis. We demonstrate that the new module remarkably reduces the type I and type II errors. In addition, unlike the identification method of the IDI, the proposed one does not require a user-specified threshold based on a trial and error process. In the second phase of this study, we propose an original approach to measure the flexibility/rigidity of the mechanical components. We introduce a factor that represents the ratio between the maximum displacement resulting from the deformation of the part and its profile tolerance and we present the results in a logarithmic scale. Three different regions were

  1. Role of conformational flexibility in the emulsifying properties of bovine serum albumin.

    PubMed

    Tang, Chuan-He; Shen, Lan

    2013-03-27

    Although it is well recognized that the conformation state of a protein affects its surface properties, the importance of conformation flexibility to its functionality is still not well understood. This study systemically investigated the influence of protein concentration (c) and disulfide bond (S-S) cleavage with a reducing agent, β-mercaptoethanol (2-ME), on the conformation and emulsifying properties of an ideal globular protein, bovine serum albumin (BSA), with the aim to unravel the role of conformational flexibility in the functionality. The conformations were evaluated using size exclusion chromatography, dynamic light scattering (DLS), extrinsic fluorescence, and derivative UV spectroscopy. The emulsifying properties, including emulsifying ability, extent of droplet flocculation at a specific period of storage, and stability against flocculation and/or coalescence as well as creaming, were characterized using droplet size and creaming index analyses. The results indicated that the tertiary conformation of native BSA was closely dependent on its c (in the range of 0.05-1.0%), and increasing c resulted in a more compacted and rigid conformation. The c dependence largely determined the susceptibility of S-S bridges to reduction and even refolding of reduced BSA molecules. Interestingly, there was approximately a critical c (e.g., 0.25-0.5%) below which the S-S cleavage resulted in a gradual structural unfolding of the molecules and above which the situation was the reverse. On the other hand, the alteration with protein and 2-ME concentrations led to a variety of changes in emulsion size (d4,3; in water or 1% SDS) at 4 and 24 h and creaming index (up to 2 weeks). In general, at a low c value (e.g., 0.25%) increasing the S-S cleavage progressively improved the emulsifying ability and emulsion stability (especially against coalescence and creaming), whereas at c = 0.5 or 0.75%, the S-S cleavage, on the contrary, impaired the emulsifying properties, especially

  2. A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules.

    PubMed

    Forti, Flavio; Cavasotto, Claudio N; Orozco, Modesto; Barril, Xavier; Luque, F Javier

    2012-05-08

    Predicting the conformational preferences of flexible compounds is still a challenging problem with important implications in areas such as molecular recognition and drug design. In this work, we describe a multilevel strategy to explore the conformational preferences of molecules. The method relies on the predominant-state approximation, which partitions the conformational space into distinct conformational wells. Moreover, it combines low-level (LL) methods for sampling the conformational minima and high-level (HL) techniques for calibrating their relative stability. In the implementation used in this study, the LL sampling is performed with the semiempirical RM1 Hamiltonian, and solvent effects are included using the RM1 version of the MST continuum solvation model. The HL refinement of the conformational wells is performed by combining geometry optimizations of the minima at the B3LYP (gas phase) or MST-B3LYP (solution) level, followed by single point MP2 computations using Dunning's augmented basis sets. Then, the effective free energy of a conformational well is estimated by combining the MP2 energy, supplemented with the MST-B3LYP solvation free energy for a conformational search in solution, with the local curvature of the well sampled at the semiempirical level. Applications of this strategy involve the exploration of the conformational preferences of 1,2-dichloroethane and neutral histamine in both the gas phase and water solution. Finally, the multilevel strategy is used to estimate the reorganization cost required for selecting the bioactive conformation of HIV reverse transcriptase inhibitors, which is estimated to be at most 1.3 kcal/mol.

  3. Experimental Demonstration of Printed Graphene Nano-flakes Enabled Flexible and Conformable Wideband Radar Absorbers

    PubMed Central

    Huang, Xianjun; Pan, Kewen; Hu, Zhirun

    2016-01-01

    In this work, we have designed, fabricated and experimentally characterized a printed graphene nano-flakes enabled flexible and conformable wideband radar absorber. The absorber covers both X (8–12 GHz) and Ku (12–18 GHz) bands and is printed on flexible substrate using graphene nano-flakes conductive ink through stencil printing method. The measured results show that an effective absorption (above 90%) bandwidth spans from 10.4 GHz to 19.7 GHz, namely a 62% fraction bandwidth, with only 2 mm thickness. The flexibility of the printed graphene nano-flakes enables the absorber conformably bending and attaching to a metal cylinder. The radar cross section (RCS) of the cylinder with and without absorber attachment has been compared and excellent absorption has been obtained. Only 3.6% bandwidth reduction has been observed comparing to that of un-bended absorber. This work has demonstrated unambiguously that printed graphene can provide flexible and conformable wideband radar absorption, which extends the graphene’s application to practical RCS reductions. PMID:27924823

  4. Experimental Demonstration of Printed Graphene Nano-flakes Enabled Flexible and Conformable Wideband Radar Absorbers.

    PubMed

    Huang, Xianjun; Pan, Kewen; Hu, Zhirun

    2016-12-07

    In this work, we have designed, fabricated and experimentally characterized a printed graphene nano-flakes enabled flexible and conformable wideband radar absorber. The absorber covers both X (8-12 GHz) and Ku (12-18 GHz) bands and is printed on flexible substrate using graphene nano-flakes conductive ink through stencil printing method. The measured results show that an effective absorption (above 90%) bandwidth spans from 10.4 GHz to 19.7 GHz, namely a 62% fraction bandwidth, with only 2 mm thickness. The flexibility of the printed graphene nano-flakes enables the absorber conformably bending and attaching to a metal cylinder. The radar cross section (RCS) of the cylinder with and without absorber attachment has been compared and excellent absorption has been obtained. Only 3.6% bandwidth reduction has been observed comparing to that of un-bended absorber. This work has demonstrated unambiguously that printed graphene can provide flexible and conformable wideband radar absorption, which extends the graphene's application to practical RCS reductions.

  5. Experimental Demonstration of Printed Graphene Nano-flakes Enabled Flexible and Conformable Wideband Radar Absorbers

    NASA Astrophysics Data System (ADS)

    Huang, Xianjun; Pan, Kewen; Hu, Zhirun

    2016-12-01

    In this work, we have designed, fabricated and experimentally characterized a printed graphene nano-flakes enabled flexible and conformable wideband radar absorber. The absorber covers both X (8–12 GHz) and Ku (12–18 GHz) bands and is printed on flexible substrate using graphene nano-flakes conductive ink through stencil printing method. The measured results show that an effective absorption (above 90%) bandwidth spans from 10.4 GHz to 19.7 GHz, namely a 62% fraction bandwidth, with only 2 mm thickness. The flexibility of the printed graphene nano-flakes enables the absorber conformably bending and attaching to a metal cylinder. The radar cross section (RCS) of the cylinder with and without absorber attachment has been compared and excellent absorption has been obtained. Only 3.6% bandwidth reduction has been observed comparing to that of un-bended absorber. This work has demonstrated unambiguously that printed graphene can provide flexible and conformable wideband radar absorption, which extends the graphene’s application to practical RCS reductions.

  6. Linker regions and flexibility around the metalloprotease domain account for conformational activation of ADAMTS13

    PubMed Central

    Deforche, L.; Roose, E.; Vandenbulcke, A.; Vandeputte, N.; Feys, H.B.; Springer, T.A.; Mi, L.Z.; Muia, J.; Sadler, J.E.; Soejima, K.; Rottensteiner, H.; Deckmyn, H.; De Meyer, S.F.; Vanhoorelbeke, K.

    2016-01-01

    Background Recently, conformational activation of ADAMTS13 was identified. This mechanism showed the evolution from a condensed and inhibited conformation, in which the proximal MDTCS and distal T2-CUB2 domains are in close contact with each other, to an activated structure due to ding with the von Willebrand factor (VWF). Objectives Identification of cryptic epitope/exosite exposure after conformational activation and of sites of flexibility in ADAMTS13. Methods The activating effect of 25 anti-T2-CUB2 antibodies was studied in the FRETS-VWF73 and the vortex assay. Cryptic epitope/exosite exposure was determined in ELISA and VWF binding assay. The molecular basis for flexibility was hypothesized through RADAR analysis, tested in ELISA using deletion variants and visualized using electron microscopy. Results Eleven activating anti-ADAMTS13 antibodies, directed against the T5-CUB2 domains, were identified in the FRETS-VWF73 assay. RADAR analysis identified three linker regions in the distal domains. Interestingly, identification of an antibody recognizing a cryptic epitope in the metalloprotease domain confirmed the contribution of these linker regions to conformational activation of the enzyme. The proof of flexibility around both the T2 and metalloprotease domains by electron microscopy furthermore supported this contribution. In addition, cryptic epitope exposure was identified in the distal domains, as activating anti-T2-CUB2 antibodies increased the binding to folded VWF up to ~3-fold. Conclusion Conformational activation of ADAMTS13 leads to cryptic epitope/exosite exposure in both proximal and distal domains, subsequently inducing increased activity. Furthermore, three linker regions in the distal domains are responsible for flexibility and enable the interaction between the proximal and the T8-CUB2 domains. PMID:26391536

  7. Conformation specific spectroscopy in the complexity gap: beta-peptides and flexible bichromophores

    NASA Astrophysics Data System (ADS)

    Baquero, Esteban Edwin

    Flexible biomolecules with many degrees of freedom have the ability to sample a great number of structural minima. The intrinsic structural preferences of these molecules are driven by stabilizations due to intramolecular interactions such as hydrogen bonding and interatomic attractive forces. These interactions become increasingly important as the atoms in the molecule come in close proximity to one another. The present work describes the conformational preferences of several model bio-relevant molecules of different sizes where different kinds of intramolecular interactions can occur. Conformation specific ultraviolet and infrared spectroscopies were utilized to obtain the spectroscopic signatures of different conformations of the jet cooled biomolecules. These experiments allowed for the assignment of conformational families and the development of a general protocol to identify the infrared signatures of amide NH stretches, which were found to vary in frequency due to their immediate chemical and structural environment. Specific examples of systems studied include molecules containing unnatural polypeptide chains and a flexible bichromophore. The unnatural polypetides (Ac-beta3-hPhe-NHMe, Ac-beta 3-hTyr-NHMe Ac-beta3-hPhe-beta3-hAla-NHMe and Ac-beta3-hAla-beta3-hPhe-NHMe) were found to have a rich conformational potential energy landscape that contained many kinds of intramolecular hydrogen bonded minima. The flexible bichromophore (HNBPA), containing two spectroscopically distinguishable chromophores (Phenol and Phenyl), was found to be an interesting case study for conformational specific electronic energy transfer and testing how well different theoretical methods manage non-covalent interactions, such as those between side-chain atoms and aromatic pi-clouds.

  8. A simple model of backbone flexibility improves modeling of side-chain conformational variability.

    PubMed

    Friedland, Gregory D; Linares, Anthony J; Smith, Colin A; Kortemme, Tanja

    2008-07-18

    The considerable flexibility of side-chains in folded proteins is important for protein stability and function, and may have a role in mediating allosteric interactions. While sampling side-chain degrees of freedom has been an integral part of several successful computational protein design methods, the predictions of these approaches have not been directly compared to experimental measurements of side-chain motional amplitudes. In addition, protein design methods frequently keep the backbone fixed, an approximation that may substantially limit the ability to accurately model side-chain flexibility. Here, we describe a Monte Carlo approach to modeling side-chain conformational variability and validate our method against a large dataset of methyl relaxation order parameters derived from nuclear magnetic resonance (NMR) experiments (17 proteins and a total of 530 data points). We also evaluate a model of backbone flexibility based on Backrub motions, a type of conformational change frequently observed in ultra-high-resolution X-ray structures that accounts for correlated side-chain backbone movements. The fixed-backbone model performs reasonably well with an overall rmsd between computed and predicted side-chain order parameters of 0.26. Notably, including backbone flexibility leads to significant improvements in modeling side-chain order parameters for ten of the 17 proteins in the set. Greater accuracy of the flexible backbone model results from both increases and decreases in side-chain flexibility relative to the fixed-backbone model. This simple flexible-backbone model should be useful for a variety of protein design applications, including improved modeling of protein-protein interactions, design of proteins with desired flexibility or rigidity, and prediction of correlated motions within proteins.

  9. Ultraflexible, large-area, physiological temperature sensors for multipoint measurements

    PubMed Central

    Yokota, Tomoyuki; Inoue, Yusuke; Terakawa, Yuki; Reeder, Jonathan; Kaltenbrunner, Martin; Ware, Taylor; Yang, Kejia; Mabuchi, Kunihiko; Murakawa, Tomohiro; Sekino, Masaki; Voit, Walter; Sekitani, Tsuyoshi; Someya, Takao

    2015-01-01

    We report a fabrication method for flexible and printable thermal sensors based on composites of semicrystalline acrylate polymers and graphite with a high sensitivity of 20 mK and a high-speed response time of less than 100 ms. These devices exhibit large resistance changes near body temperature under physiological conditions with high repeatability (1,800 times). Device performance is largely unaffected by bending to radii below 700 µm, which allows for conformal application to the surface of living tissue. The sensing temperature can be tuned between 25 °C and 50 °C, which covers all relevant physiological temperatures. Furthermore, we demonstrate flexible active-matrix thermal sensors which can resolve spatial temperature gradients over a large area. With this flexible ultrasensitive temperature sensor we succeeded in the in vivo measurement of cyclic temperatures changes of 0.1 °C in a rat lung during breathing, without interference from constant tissue motion. This result conclusively shows that the lung of a warm-blooded animal maintains surprising temperature stability despite the large difference between core temperature and inhaled air temperature. PMID:26554008

  10. Ultraflexible, large-area, physiological temperature sensors for multipoint measurements.

    PubMed

    Yokota, Tomoyuki; Inoue, Yusuke; Terakawa, Yuki; Reeder, Jonathan; Kaltenbrunner, Martin; Ware, Taylor; Yang, Kejia; Mabuchi, Kunihiko; Murakawa, Tomohiro; Sekino, Masaki; Voit, Walter; Sekitani, Tsuyoshi; Someya, Takao

    2015-11-24

    We report a fabrication method for flexible and printable thermal sensors based on composites of semicrystalline acrylate polymers and graphite with a high sensitivity of 20 mK and a high-speed response time of less than 100 ms. These devices exhibit large resistance changes near body temperature under physiological conditions with high repeatability (1,800 times). Device performance is largely unaffected by bending to radii below 700 µm, which allows for conformal application to the surface of living tissue. The sensing temperature can be tuned between 25 °C and 50 °C, which covers all relevant physiological temperatures. Furthermore, we demonstrate flexible active-matrix thermal sensors which can resolve spatial temperature gradients over a large area. With this flexible ultrasensitive temperature sensor we succeeded in the in vivo measurement of cyclic temperatures changes of 0.1 °C in a rat lung during breathing, without interference from constant tissue motion. This result conclusively shows that the lung of a warm-blooded animal maintains surprising temperature stability despite the large difference between core temperature and inhaled air temperature.

  11. Probing flexible conformations in molecular junctions by inelastic electron tunneling spectroscopy

    SciTech Connect

    Deng, Mingsen; Ye, Gui; Jiang, Jun; Cai, Shaohong; Sun, Guangyu

    2015-01-15

    The probe of flexible molecular conformation is crucial for the electric application of molecular systems. We have developed a theoretical procedure to analyze the couplings of molecular local vibrations with the electron transportation process, which enables us to evaluate the structural fingerprints of some vibrational modes in the inelastic electron tunneling spectroscopy (IETS). Based on a model molecule of Bis-(4-mercaptophenyl)-ether with a flexible center angle, we have revealed and validated a simple mathematical relationship between IETS signals and molecular angles. Our results might open a route to quantitatively measure key geometrical parameters of molecular junctions, which helps to achieve precise control of molecular devices.

  12. Structure of a mutant [beta] toxin from Staphylococcus aureus reveals domain swapping and conformational flexibility

    SciTech Connect

    Kruse, Andrew C.; Huseby, Medora J.; Shi, Ke; Digre, Jeff; Ohlendorf, Douglas H.; Earhart, Cathleen A.

    2011-09-16

    The 3.35 {angstrom} resolution crystal structure of a mutant form of the staphylococcal sphingomyelinase {beta} toxin in which a conserved hydrophobic {beta}-hairpin has been deleted is reported. It is shown that this mutation induces domain swapping of a C-terminal {beta}-strand, leading to the formation of dimers linked by a conformationally flexible hinge region. Eight dimers are seen in the asymmetric unit, exhibiting a broad spectrum of conformations trapped in place by intermolecular contacts within the crystal lattice. Furthermore, the 16 monomers within each asymmetric unit exhibit a remarkable heterogeneity in thermal factors, which can be accounted for by the varying degrees to which each monomer interacts with other molecules in the crystal. This structure provides a unique example of the challenges associated with crystallographic study of flexible proteins.

  13. An NMR and theoretical study of the conformation and internal flexibility of butaclamol hydrochloride.

    PubMed

    Casarotto, M G; Craik, D J; Lloyd, E J; Partridge, A C

    1991-07-01

    A theoretical (MM2) and experimental (1H and 13C NMR) study of butaclamol hydrochloride in CDCl3 has been done in order to determine preferred conformations and internal molecular flexibility of this molecule. The theoretical calculations suggest the presence of four low-energy conformations, two of which involve a trans junction of the D and E rings, with the other two involving a cis I ring junction. An alternative cis junction (cis II) was excluded on energetic grounds. The 1H NMR data strongly suggest the presence of a trans D-E ring junction and are consistent with a chair conformation of the E ring. 13C spin-lattice relaxation time measurements show that most of the molecule is rigid, although there is some degree of mobility in the seven-membered B ring, associated with rapid flipping of the bridging C8 and C9 carbons between two skewed conformations, which have previously been referred to as conformer A and conformer B (Laus et al. Heterocycles 1984, 22, 311).

  14. Conformational flexibility in 2,2'-Dioxybiphenyl-chloro-cyclotetraphosphazenes and its relevance to polyphosphazene analogues.

    PubMed

    Ainscough, Eric W; Brodie, Andrew M; Chaplin, Adrian B; Derwahl, Andreas; Harrison, John A; Otter, Carl A

    2007-04-02

    The reaction of the cyclotetraphosphazene, [N4P4Cl8], with the difunctional reagent, 2,2'-biphenol, in the presence of potassium carbonate in acetone produced the spiro-substituted derivatives, 2,2'-dioxybiphenylhexachlorocyclotetraphosphazene, bis(2,2'-dioxybiphenyl)tetrachloro-cyclotetraphosphazene, and tris(2,2'-dioxybiphenyl)dichlorocyclotetraphosphazene. Both cis and trans geometrical isomers of the bis compound are observed. Although chromatographic separation of these was unsuccessful, a sample of the trans isomer was obtained by fractional crystallization. The compounds all show non-first-order 31P NMR spectra which were simulated to extract the spectral parameters. Single-crystal X-ray structures of both the trans bis and the tris compounds show that the cyclophosphazene rings exhibit conformational flexibility which gives rise to different crystalline forms being obtained from the same solvent systems. Crystals of trans-bis(2,2'-dioxybiphenyl)tetrachloro-cyclotetraphosphazene were obtained in two different space groups: Pnna (orthorhombic) and P21/n (monoclinic). In the orthorhombic structure, the dominant (72%) conformation of one phosphazene ring is a chair form, and the other (28%) resembles a boat. While for the monoclinic structure, the ring is virtually flat with an oval shape. In both cases the dioxybiphenyl groups are found in R and S configurations in the same molecule and are pi stacked in columns (Pnna) or involved in pi-pi or pi-H interactions (P21/n), thus anchoring the phosphorus atoms of the cyclotetraphosphazenes but still allowing flexibility in the ring conformations. Three crystalline modifications of tris(2,2'-dioxybiphenyl)dichloro-cyclotetraphosphazene were obtained: two in space group P (triclinic), which contained two molecules of dichloromethane in the unit cell, and one solvent-free form in space group P21/n (monoclinic). The cyclophosphazene rings exhibit puckered conformations with the trans-dioxybiphenyl moieties having

  15. Decoupling optical function and geometrical form using conformal flexible dielectric metasurfaces

    DOE PAGES

    Kamali, Seyedeh Mahsa; Arbabi, Amir; Arbabi, Ehsan; ...

    2016-05-19

    Physical geometry and optical properties of objects are correlated: cylinders focus light to a line, spheres to a point and arbitrarily shaped objects introduce optical aberrations. Multifunctional components with decoupled geometrical form and optical function are needed when specific optical functionalities must be provided while the shapes are dictated by other considerations like ergonomics, aerodynamics or aesthetics. Here we demonstrate an approach for decoupling optical properties of objects from their physical shape using thin and flexible dielectric metasurfaces which conform to objects' surface and change their optical properties. The conformal metasurfaces are composed of silicon nano-posts embedded in a polymermore » substrate that locally modify near-infrared (λ = 915 nm) optical wavefronts. As proof of concept, we show that cylindrical lenses covered with metasurfaces can be transformed to function as aspherical lenses focusing light to a point. Lastly, the conformal metasurface concept is highly versatile for developing arbitrarily shaped multi-functional optical devices.« less

  16. Decoupling optical function and geometrical form using conformal flexible dielectric metasurfaces

    SciTech Connect

    Kamali, Seyedeh Mahsa; Arbabi, Amir; Arbabi, Ehsan; Horie, Yu; Faraon, Andrei

    2016-05-19

    Physical geometry and optical properties of objects are correlated: cylinders focus light to a line, spheres to a point and arbitrarily shaped objects introduce optical aberrations. Multifunctional components with decoupled geometrical form and optical function are needed when specific optical functionalities must be provided while the shapes are dictated by other considerations like ergonomics, aerodynamics or aesthetics. Here we demonstrate an approach for decoupling optical properties of objects from their physical shape using thin and flexible dielectric metasurfaces which conform to objects' surface and change their optical properties. The conformal metasurfaces are composed of silicon nano-posts embedded in a polymer substrate that locally modify near-infrared (λ = 915 nm) optical wavefronts. As proof of concept, we show that cylindrical lenses covered with metasurfaces can be transformed to function as aspherical lenses focusing light to a point. Lastly, the conformal metasurface concept is highly versatile for developing arbitrarily shaped multi-functional optical devices.

  17. Decoupling optical function and geometrical form using conformal flexible dielectric metasurfaces

    PubMed Central

    Kamali, Seyedeh Mahsa; Arbabi, Amir; Arbabi, Ehsan; Horie, Yu; Faraon, Andrei

    2016-01-01

    Physical geometry and optical properties of objects are correlated: cylinders focus light to a line, spheres to a point and arbitrarily shaped objects introduce optical aberrations. Multi-functional components with decoupled geometrical form and optical function are needed when specific optical functionalities must be provided while the shapes are dictated by other considerations like ergonomics, aerodynamics or aesthetics. Here we demonstrate an approach for decoupling optical properties of objects from their physical shape using thin and flexible dielectric metasurfaces which conform to objects' surface and change their optical properties. The conformal metasurfaces are composed of silicon nano-posts embedded in a polymer substrate that locally modify near-infrared (λ=915 nm) optical wavefronts. As proof of concept, we show that cylindrical lenses covered with metasurfaces can be transformed to function as aspherical lenses focusing light to a point. The conformal metasurface concept is highly versatile for developing arbitrarily shaped multi-functional optical devices. PMID:27193141

  18. Decoupling optical function and geometrical form using conformal flexible dielectric metasurfaces

    NASA Astrophysics Data System (ADS)

    Kamali, Seyedeh Mahsa; Arbabi, Amir; Arbabi, Ehsan; Horie, Yu; Faraon, Andrei

    2016-05-01

    Physical geometry and optical properties of objects are correlated: cylinders focus light to a line, spheres to a point and arbitrarily shaped objects introduce optical aberrations. Multi-functional components with decoupled geometrical form and optical function are needed when specific optical functionalities must be provided while the shapes are dictated by other considerations like ergonomics, aerodynamics or aesthetics. Here we demonstrate an approach for decoupling optical properties of objects from their physical shape using thin and flexible dielectric metasurfaces which conform to objects' surface and change their optical properties. The conformal metasurfaces are composed of silicon nano-posts embedded in a polymer substrate that locally modify near-infrared (λ=915 nm) optical wavefronts. As proof of concept, we show that cylindrical lenses covered with metasurfaces can be transformed to function as aspherical lenses focusing light to a point. The conformal metasurface concept is highly versatile for developing arbitrarily shaped multi-functional optical devices.

  19. Theoretical study of conformational flexibility of tuftsin in vacuum and in aqueous environment.

    PubMed

    Kothekar, V; Ashish; Gupta, D; Kishore, R

    1999-02-01

    Conformational flexibility of tuftsin molecule is studied using all-atom based atom-atom potential and systematic search, simulated annealing molecular dynamics (SAMD) and molecular dynamics (MD) techniques. Latter was carried out for 650 pico seconds (ps) using AMBER 4.0 with explicit water in TIP3P model. Number of inter-atomic distances and torsional angles were monitored during SAMD and MD simulation. We found that tuftsin molecule, irrespective of any starting conformation, assumes highly folded structure with strong electrostatic interaction between Lys-2 NH3 and Arg-4 carboxylic group and weak hydrogen bond between Lys-2 CO and Arg-4 NH atoms. It had distorted but stable conformation close to inverse gamma turn.

  20. Predicting protein conformational changes for unbound and homology docking: learning from intrinsic and induced flexibility.

    PubMed

    Chen, Haoran; Sun, Yuanfei; Shen, Yang

    2017-03-01

    Predicting protein conformational changes from unbound structures or even homology models to bound structures remains a critical challenge for protein docking. Here we present a study directly addressing the challenge by reducing the dimensionality and narrowing the range of the corresponding conformational space. The study builds on cNMA-our new framework of partner- and contact-specific normal mode analysis that exploits encounter complexes and considers both intrinsic and induced flexibility. First, we established over a CAPRI (Critical Assessment of PRedicted Interactions) target set that the direction of conformational changes from unbound structures and homology models can be reproduced to a great extent by a small set of cNMA modes. In particular, homology-to-bound interface root-mean-square deviation (iRMSD) can be reduced by 40% on average with the slowest 30 modes. Second, we developed novel and interpretable features from cNMA and used various machine learning approaches to predict the extent of conformational changes. The models learned from a set of unbound-to-bound conformational changes could predict the actual extent of iRMSD with errors around 0.6 Å for unbound proteins in a held-out benchmark subset, around 0.8 Å for unbound proteins in the CAPRI set, and around 1 Å even for homology models in the CAPRI set. Our results shed new insights into origins of conformational differences between homology models and bound structures and provide new support for the low-dimensionality of conformational adjustment during protein associations. The results also provide new tools for ensemble generation and conformational sampling in unbound and homology docking. Proteins 2017; 85:544-556. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  1. Conformational flexibility and hydrogen-bonding patterns of the neotame molecule in its various solid forms.

    PubMed

    Dong, Zedong; Munson, Eric J; Schroeder, Steve A; Prakash, Indra; Grant, David J W

    2002-09-01

    The conformational flexibility and the molecular packing patterns of the neotame molecule in its various crystal forms, including neotame monohydrate, methanol solvate, ethanol solvate, benzene solvate, and anhydrate polymorph G, are analyzed in this work. The Cerius2 molecular modeling program with the Dreiding 2.21 force field was employed to calculate the most stable conformations of neotame molecules in the gaseous state and to analyze the conformations of the neotame molecule in its various crystal forms. Using graph set analysis, the hydrogen bond patterns of these crystal forms were compared. The neotame molecule takes different conformations in its crystal forms and in the free gaseous state. Cerius2 found 10 conformers with lower conformational energies than those in the actual crystal structures, which represent an energetic compromise. The relatively large differences between the energies of the conformers indicate the necessity for rewriting or customizing the force field for neotame. The hydrogen bonding patterns of the neotame methanol and ethanol solvates are identical, but different from those of the other three forms, which also differ from each other. The neotame molecule in its various crystal forms takes different conformations that differ from those in the gaseous state because of the influence of crystal packing. The intramolecular ring, S5, is present in all the crystal forms. The following hydrogen bonding patterns occur in some of the crystal forms: diad, D; intramolecular rings, S(6) and S(7); chains, C(5) and C(6); and an intermolecular ring, R2(2)(12). Copyright 2002 Wiley-Liss, Inc.

  2. 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.

  3. Evaluation of flexible and rigid (class solution) radiation therapy conformal prostate planning protocols

    SciTech Connect

    Coburn, Natalie; Beldham-Collins, Rachael; Westling, Jelene; Trovato, Jenny; Gebski, Val

    2012-04-01

    Protocols commonly implemented in radiotherapy work areas may be classified as being either rigid (class solution) or flexible. Because formal evaluation of these protocol types has not occurred within the literature, we evaluated the efficiency of a rigid compared with flexible prostate planning protocol by assessing a series of completed 3D conformal prostate plans. Twenty prostate cancer patients with an average age of 70 years (range, 52-77) and sizes comprising 8 small, 10 medium, and 2 large were planned on the Phillips Pinnacle treatment planning system 6 times by radiation therapists with <2 years, 2-5 years, and >5 years of experience using a rigid and flexible protocol. Plans were critiqued using critical organ doses, confirmation numbers, and conformity index. Plans were then classified as being acceptable or not. Plans produced with the flexible protocol were 53% less likely to require modification (OR 0.47, 95% CI: 0.26, 0.84, p = 0.01). Planners with >5 years of experience were 78% more likely to produce plans requiring modification (OR 1.78, 95% CI: 1.12, 2.83, P = 0.02). Plans according to the flexible protocol took longer (112 min) compared with the time taken using a rigid protocol (68 min) (p < 0.001). The results suggest that further studies are needed; however, we propose that all radiation therapy planners should start with the same limitations, and if an acceptable plan is not reached, then flexibility should be given to improve the plan to meet the desired results.

  4. Evaluation of flexible and rigid (class solution) radiation therapy conformal prostate planning protocols.

    PubMed

    Coburn, Natalie; Beldham-Collins, Rachael; Westling, Jelene; Trovato, Jenny; Gebski, Val

    2012-01-01

    Protocols commonly implemented in radiotherapy work areas may be classified as being either rigid (class solution) or flexible. Because formal evaluation of these protocol types has not occurred within the literature, we evaluated the efficiency of a rigid compared with flexible prostate planning protocol by assessing a series of completed 3D conformal prostate plans. Twenty prostate cancer patients with an average age of 70 years (range, 52-77) and sizes comprising 8 small, 10 medium, and 2 large were planned on the Phillips Pinnacle treatment planning system 6 times by radiation therapists with <2 years, 2-5 years, and >5 years of experience using a rigid and flexible protocol. Plans were critiqued using critical organ doses, confirmation numbers, and conformity index. Plans were then classified as being acceptable or not. Plans produced with the flexible protocol were 53% less likely to require modification (OR 0.47, 95% CI: 0.26, 0.84, p = 0.01). Planners with >5 years of experience were 78% more likely to produce plans requiring modification (OR 1.78, 95% CI: 1.12, 2.83, P = 0.02). Plans according to the flexible protocol took longer (112 min) compared with the time taken using a rigid protocol (68 min) (p < 0.001). The results suggest that further studies are needed; however, we propose that all radiation therapy planners should start with the same limitations, and if an acceptable plan is not reached, then flexibility should be given to improve the plan to meet the desired results. Crown Copyright © 2012. Published by Elsevier Inc. All rights reserved.

  5. Fermi's Large Area Telescope (LAT)

    NASA Image and Video Library

    Fermi’s Large Area Telescope (LAT) is the spacecraft’s main scientificinstrument. This animation shows a gamma ray (purple) entering the LAT,where it is converted into an electron (red) and a...

  6. Step-Controllable Electric-Field-Assisted Nanoimprint Lithography for Uneven Large-Area Substrates.

    PubMed

    Wang, Chunhui; Shao, Jinyou; Tian, Hongmiao; Li, Xiangming; Ding, Yucheng; Li, Ben Q

    2016-04-26

    Large-area nanostructures are widely used in various fields, but fabrication on large-area uneven substrates poses a significant challenge. This study demonstrates a step-controllable electric-field-assisted nanoimprint lithography (e-NIL) method that can achieve conformal contact with uneven substrates for high fidelity nanostructuring. Experiments are used to demonstrate the method where a substrate coated with liquid resist is brought into contact with a flexible template driven by the applied electric field. Theoretical analysis based on the elasticity theory and electro-hydrodynamic theory is carried out. Effective voltage range and the saturation voltage are also discussed. A step-controllable release of flexible template is proposed and demonstrated to ensure the continuous contact between the template and an uneven substrate. This prevents formation of air traps and allows large area conformal contact to be achieved. A combination of Vacuum-electric field assisted step-controllable e-NIL is implemented in the developed prototype. Finally, photonic crystal nanostructures are successfully fabricated on a 4 in., 158 μm bow gallium nitride light-emitting diode epitaxial wafer using the proposed method, which enhance the light extraction property.

  7. Sampling the conformation of protein surface residues for flexible protein docking

    PubMed Central

    2010-01-01

    Background The problem of determining the physical conformation of a protein dimer, given the structures of the two interacting proteins in their unbound state, is a difficult one. The location of the docking interface is determined largely by geometric complementarity, but finding complementary geometry is complicated by the flexibility of the backbone and side-chains of both proteins. We seek to generate candidates for docking that approximate the bound state well, even in cases where there is backbone and/or side-chain difference from unbound to bound states. Results We divide the surfaces of each protein into local patches and describe the effect of side-chain flexibility on each patch by sampling the space of conformations of its side-chains. Likely positions of individual side-chains are given by a rotamer library; this library is used to derive a sample of possible mutual conformations within the patch. We enforce broad coverage of torsion space. We control the size of the sample by using energy criteria to eliminate unlikely configurations, and by clustering similar configurations, resulting in 50 candidates for a patch, a manageable number for docking. Conclusions Using a database of protein dimers for which the bound and unbound structures of the monomers are known, we show that from the unbound patch we are able to generate candidates for docking that approximate the bound structure. In patches where backbone change is small (within 1 Å RMSD of bound), we are able to account for flexibility and generate candidates that are good approximations of the bound state (82% are within 1 Å and 98% are within 1.4 Å RMSD of the bound conformation). We also find that even in cases of moderate backbone flexibility our candidates are able to capture some of the overall shape change. Overall, in 650 of 700 test patches we produce a candidate that is either within 1 Å RMSD of the bound conformation or is closer to the bound state than the unbound is. PMID:21092317

  8. Buckling assisted and lithographically micropatterned fully flexible sensors for conformal integration applications

    PubMed Central

    Maji, Debashis; Das, Debanjan; Wala, Jyoti; Das, Soumen

    2015-01-01

    Development of flexible sensors/electronics over substrates thicker than 100 μm is of immense importance for its practical feasibility. However, unlike over ultrathin films, large bending stress hinders its flexibility. Here we have employed a novel technique of fabricating sensors over a non-planar ridge topology under pre-stretched condition which not only helps in spontaneous generation of large and uniform parallel buckles upon release, but also acts as stress reduction zones thereby preventing Poisson’s ratio induced lateral cracking. Further, we propose a complete lithography compatible process to realize flexible sensors over pre-stretched substrates thicker than 100 μm that are released through dissolution of a water soluble sacrificial layer of polyvinyl alcohol. These buckling assisted flexible sensors demonstrated superior performance along different flexible modalities. Based on the above concept, we also realized a micro thermal flow sensor, conformally wrapped around angiographic catheters to detect flow abnormalities for potential applications in interventional catheterization process. PMID:26640124

  9. Buckling assisted and lithographically micropatterned fully flexible sensors for conformal integration applications

    NASA Astrophysics Data System (ADS)

    Maji, Debashis; Das, Debanjan; Wala, Jyoti; Das, Soumen

    2015-12-01

    Development of flexible sensors/electronics over substrates thicker than 100 μm is of immense importance for its practical feasibility. However, unlike over ultrathin films, large bending stress hinders its flexibility. Here we have employed a novel technique of fabricating sensors over a non-planar ridge topology under pre-stretched condition which not only helps in spontaneous generation of large and uniform parallel buckles upon release, but also acts as stress reduction zones thereby preventing Poisson’s ratio induced lateral cracking. Further, we propose a complete lithography compatible process to realize flexible sensors over pre-stretched substrates thicker than 100 μm that are released through dissolution of a water soluble sacrificial layer of polyvinyl alcohol. These buckling assisted flexible sensors demonstrated superior performance along different flexible modalities. Based on the above concept, we also realized a micro thermal flow sensor, conformally wrapped around angiographic catheters to detect flow abnormalities for potential applications in interventional catheterization process.

  10. De novo design of conformationally flexible transmembrane peptides driving membrane fusion

    PubMed Central

    Hofmann, Mathias W.; Weise, Katrin; Ollesch, Julian; Agrawal, Prashant; Stalz, Holger; Stelzer, Walter; Hulsbergen, Frans; de Groot, Huub; Gerwert, Klaus; Reed, Jennifer; Langosch, Dieter

    2004-01-01

    Fusion of biological membranes is mediated by distinct integral membrane proteins, e.g., soluble N-ethylmaleimide-sensitive factor attachment protein receptors and viral fusion proteins. Previous work has indicated that the transmembrane segments (TMSs) of such integral membrane proteins play an important role in fusion. Furthermore, peptide mimics of the transmembrane part can drive the fusion of liposomes, and evidence had been obtained that fusogenicity depends on their conformational flexibility. To test this hypothesis, we present a series of unnatural TMSs that were designed de novo based on the structural properties of hydrophobic residues. We find that the fusogenicity of these peptides depends on the ratio of α-helix-promoting Leu and β-sheet-promoting Val residues and is enhanced by helix-destabilizing Pro and Gly residues within their hydrophobic cores. The ability of these peptides to refold from an α-helical state to a β-sheet conformation and backwards was determined under different conditions. Membrane fusogenic peptides with mixed Leu/Val sequences tend to switch more readily between different conformations than a nonfusogenic peptide with an oligo-Leu core. We propose that structural flexibility of these TMSs is a prerequisite of fusogenicity. PMID:15456911

  11. Molecular modelling of the three-dimensional structure and conformational flexibility of bacterial lipopolysaccharide.

    PubMed Central

    Kastowsky, M; Gutberlet, T; Bradaczek, H

    1992-01-01

    Molecular modelling techniques have been applied to calculate the three-dimensional architecture and the conformational flexibility of a complete bacterial S-form lipopolysaccharide (LPS) consisting of a hexaacyl lipid A identical to Escherichia coli lipid A, a complete Salmonella typhimurium core oligosaccharide portion, and four repeating units of the Salmonella serogroup B O-specific chain. X-ray powder diffraction experiments on dried samples of LPS were carried out to obtain information on the dimensions of the various LPS partial structures. Up to the Ra-LPS structure, the calculated model dimensions were in good agreement with experimental data and were 2.4 nm for lipid A, 2.8 nm for Re-LPS, 3.5 nm for Rd-LPS, and 4.4 nm for Ra-LPS. The maximum length of a stretched S-form LPS model bearing four repeating units was evaluated to be 9.6 nm; however, energetically favored LPS conformations showed the O-specific chain bent with respect to the Ra-LPS portion and significantly smaller dimensions (about 5.0 to 5.5 nm). According to the calculations, the Ra-LPS moiety has an approximately cylindrical shape and is conformationally well defined, in contrast to the O-specific chain, which was found to be the most flexible portion within the molecule. PMID:1624466

  12. Conformational flexibility and the mechanisms of allosteric transitions in topologically similar proteins

    NASA Astrophysics Data System (ADS)

    Tripathi, Swarnendu; Portman, John J.

    2011-08-01

    Conformational flexibility plays a central role in allosteric transition of proteins. In this paper, we extend the analysis of our previous study [S. Tripathi and J. J. Portman, Proc. Natl. Acad. Sci. U.S.A. 106, 2104 (2009)] to investigate how relatively minor structural changes of the meta-stable states can significantly influence the conformational flexibility and allosteric transition mechanism. We use the allosteric transitions of the domains of calmodulin as an example system to highlight the relationship between the transition mechanism and the inter-residue contacts present in the meta-stable states. In particular, we focus on the origin of transient local unfolding (cracking), a mechanism that can lower free energy barriers of allosteric transitions, in terms of the inter-residue contacts of the meta-stable states and the pattern of local strain that develops during the transition. We find that the magnitude of the local strain in the protein is not the sole factor determining whether a region will ultimately crack during the transition. These results emphasize that the residue interactions found exclusively in one of the two meta-stable states is the key in understanding the mechanism of allosteric conformational change.

  13. Conformational flexibility and the mechanisms of allosteric transitions in topologically similar proteins.

    PubMed

    Tripathi, Swarnendu; Portman, John J

    2011-08-21

    Conformational flexibility plays a central role in allosteric transition of proteins. In this paper, we extend the analysis of our previous study [S. Tripathi and J. J. Portman, Proc. Natl. Acad. Sci. U.S.A. 106, 2104 (2009)] to investigate how relatively minor structural changes of the meta-stable states can significantly influence the conformational flexibility and allosteric transition mechanism. We use the allosteric transitions of the domains of calmodulin as an example system to highlight the relationship between the transition mechanism and the inter-residue contacts present in the meta-stable states. In particular, we focus on the origin of transient local unfolding (cracking), a mechanism that can lower free energy barriers of allosteric transitions, in terms of the inter-residue contacts of the meta-stable states and the pattern of local strain that develops during the transition. We find that the magnitude of the local strain in the protein is not the sole factor determining whether a region will ultimately crack during the transition. These results emphasize that the residue interactions found exclusively in one of the two meta-stable states is the key in understanding the mechanism of allosteric conformational change.

  14. Ion mobility-mass spectrometry reveals conformational flexibility in the deubiquitinating enzyme USP5.

    PubMed

    Scott, Daniel; Layfield, Robert; Oldham, Neil J

    2015-08-01

    Many proteins exhibit conformation flexibility as part of their biological function, whether through the presence of a series of well-defined states or by the existence of intrinsic disorder. Ion mobility spectrometry, in combination with MS (IM-MS), offers a rapid and sensitive means of probing ensembles of protein structures through measurement of gas-phase collisional cross sections. We have applied IM-MS analysis to the multidomain deubiquitinating enzyme ubiquitin specific protease 5 (USP5), which is believed to exhibit significant conformational flexibility. Native ESI-MS measurement of the 94-kDa USP5 revealed two distinct charge-state distributions: [M + 17H](+) to [M + 21H](+) and [M + 24H](+) to [M + 29H](+). The collisional cross sections of these ions revealed clear groupings of 52 ± 4 nm(2) for the lower charges and 66 ± 6 nm(2) for the higher charges. Molecular dynamics simulation of a compact form of USP5, based on a crystal structure, produced structures of 53-54 nm(2) following 2 ns in the gas phase, while simulation of an extended form (based on small-angle X-ray scattering data) led to structures of 64 nm(2). These data demonstrate that IM-MS is a valuable tool in studying proteins with different discrete conformational states.

  15. Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide.

    PubMed

    Baquero, Esteban E; James, William H; Choi, Tae Hoon; Jordan, Kenneth D; Zwier, Timothy S

    2008-11-06

    Resonant two-photon ionization (R2PI), UV hole-burning (UVHB), and resonant ion-dip infrared (RIDIR) spectroscopy have been used to study the single-conformation infrared and ultraviolet spectroscopy of 3-(4-hydroxyphenyl)-N-benzylpropionamide (HNBPA, HOC6H5CH2CH2(CO)NHCH2C6H5) cooled in a supersonic expansion. UVHB determines the presence of three conformers, two of which dominate the spectrum. RIDIR spectra in the OH stretch (3600-3700 cm(-1)), amide NH stretch (3450-3500 cm(-1)), and CO stretch (1700-1750 cm(-1)) regions reveal the presence of small shifts in these fundamentals that are characteristic of the folding of the flexible chain and the ring-ring and ring-chain interactions. On the basis of a comparison of the experimental frequency shifts with calculations, the two major experimentally observed conformers are assigned to two folded structures in which the two aromatic rings are (nominally) face-to-face and perpendicular to one another. The perpendicular structure has a transition assignable to the S0-S2 origin, while the face-to-face structure does not, consistent with a faster nonradiative process in the latter case. The calculated structures and vibrational frequencies are quite sensitive to the level of theory due to the flexibility of the interconnecting chain and the importance of dispersive interactions between the two aromatic rings.

  16. Conformational flexibility and subunit arrangement of the modular yeast Spt-Ada-Gcn5 acetyltransferase complex.

    PubMed

    Setiaputra, Dheva; Ross, James D; Lu, Shan; Cheng, Derrick T; Dong, Meng-Qiu; Yip, Calvin K

    2015-04-17

    The Spt-Ada-Gcn5 acetyltransferase (SAGA) complex is a highly conserved, 19-subunit histone acetyltransferase complex that activates transcription through acetylation and deubiquitination of nucleosomal histones in Saccharomyces cerevisiae. Because SAGA has been shown to display conformational variability, we applied gradient fixation to stabilize purified SAGA and systematically analyzed this flexibility using single-particle EM. Our two- and three-dimensional studies show that SAGA adopts three major conformations, and mutations of specific subunits affect the distribution among these. We also located the four functional modules of SAGA using electron microscopy-based labeling and transcriptional activator binding analyses and show that the acetyltransferase module is localized in the most mobile region of the complex. We further comprehensively mapped the subunit interconnectivity of SAGA using cross-linking mass spectrometry, revealing that the Spt and Taf subunits form the structural core of the complex. These results provide the necessary restraints for us to generate a model of the spatial arrangement of all SAGA subunits. According to this model, the chromatin-binding domains of SAGA are all clustered in one face of the complex that is highly flexible. Our results relate information of overall SAGA structure with detailed subunit level interactions, improving our understanding of its architecture and flexibility.

  17. Large-area aircraft scanner

    NASA Astrophysics Data System (ADS)

    Iddings, Frank A.

    A program to determine the feasibility of present state-of-the-art NDI technology to produce a large-area scanner and to identify commercial equipment available to construct the desired system is presented. Work performed to attain these objectives is described, along with suggested modifications to the existing commercial equipment in order to meet the design criteria as closely as possible. Techniques that show the most promise at present are: D-sight, shearography, and pulse IR thermography (PIRT). D-sight is argued to be inadequate alone, but may well help form a system in conjunction with another technique. Shearography requires additional development in the area of stress application along with interpretation and overall application. PIRT is argued to be satisfactory as a large-area scanner system, at least for thin composite and metal panels.

  18. Ensemble refinement shows conformational flexibility in crystal structures of human complement factor D

    SciTech Connect

    Forneris, Federico; Burnley, B. Tom; Gros, Piet

    2014-03-01

    Ensemble-refinement analysis of native and mutant factor D (FD) crystal structures indicates a dynamical transition in FD from a self-inhibited inactive conformation to a substrate-bound active conformation that is reminiscent of the allostery in thrombin. Comparison with previously observed dynamics in thrombin using NMR data supports the crystallographic ensembles. Human factor D (FD) is a self-inhibited thrombin-like serine proteinase that is critical for amplification of the complement immune response. FD is activated by its substrate through interactions outside the active site. The substrate-binding, or ‘exosite’, region displays a well defined and rigid conformation in FD. In contrast, remarkable flexibility is observed in thrombin and related proteinases, in which Na{sup +} and ligand binding is implied in allosteric regulation of enzymatic activity through protein dynamics. Here, ensemble refinement (ER) of FD and thrombin crystal structures is used to evaluate structure and dynamics simultaneously. A comparison with previously published NMR data for thrombin supports the ER analysis. The R202A FD variant has enhanced activity towards artificial peptides and simultaneously displays active and inactive conformations of the active site. ER revealed pronounced disorder in the exosite loops for this FD variant, reminiscent of thrombin in the absence of the stabilizing Na{sup +} ion. These data indicate that FD exhibits conformational dynamics like thrombin, but unlike in thrombin a mechanism has evolved in FD that locks the unbound native state into an ordered inactive conformation via the self-inhibitory loop. Thus, ensemble refinement of X-ray crystal structures may represent an approach alternative to spectroscopy to explore protein dynamics in atomic detail.

  19. Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins.

    PubMed Central

    Georgescu, Roxana E; Alexov, Emil G; Gunner, Marilyn R

    2002-01-01

    Protein stability and function relies on residues being in their appropriate ionization states at physiological pH. In situ residue pK(a)s also provides a sensitive measure of the local protein environment. Multiconformation continuum electrostatics (MCCE) combines continuum electrostatics and molecular mechanics force fields in Monte Carlo sampling to simultaneously calculate side chain ionization and conformation. The response of protein to charges is incorporated both in the protein dielectric constant (epsilon(prot)) of four and by explicit conformational changes. The pK(a) of 166 residues in 12 proteins was determined. The root mean square error is 0.83 pH units, and >90% have errors of <1 pH units whereas only 3% have errors >2 pH units. Similar results are found with crystal and solution structures, showing that the method's explicit conformational sampling reduces sensitivity to the initial structure. The outcome also changes little with protein dielectric constant (epsilon(prot) 4-20). Multiconformation continuum electrostatics titrations show coupling of conformational flexibility and changes in ionization state. Examples are provided where ionizable side chain position (protein G), Asn orientation (lysozyme), His tautomer distribution (RNase A), and phosphate ion binding (RNase A and H) change with pH. Disallowing these motions changes the calculated pK(a). PMID:12324397

  20. Conformational flexibility of the 1,4-dihydropyridine ring in calcium channel agonists and antagonists molecules

    NASA Astrophysics Data System (ADS)

    Shishkin, Oleg V.

    1996-12-01

    Conformational flexibility of the 1,4-dihydropyridine ring in 4-aryl derivatives of the 2,6-dimethyl-3,5-dicarbmethoxy-1,4-dihydropyridine has been studied using the MM3 molecular mechanics method. Change of the CCCC endocyclic torsion angle of dihydrocycle in the range of 35° entails an increase of energy less than 1 kcal mol -1. The energy levels below 99% of the molecular population for each molecule were estimated. The interval of the torsion angle change for these regions is about 60°.

  1. NMR observation of HIV-1 gp120 conformational flexibility resulting from V3 truncation.

    PubMed

    Moseri, Adi; Schnur, Einat; Noah, Eran; Zherdev, Yuri; Kessler, Naama; Singhal Sinha, Eshu; Abayev, Meital; Naider, Fred; Scherf, Tali; Anglister, Jacob

    2014-07-01

    The envelope spike of HIV-1, which consists of three external gp120 and three transmembrane gp41 glycoproteins, recognizes its target cells by successively binding to its primary CD4 receptor and a coreceptor molecule. Until recently, atomic-resolution structures were available primarily for monomeric HIV-1 gp120, in which the V1, V2 and V3 variable loops were omitted (gp120core ), in complex with soluble CD4 (sCD4). Differences between the structure of HIV gp120core in complex with sCD4 and the structure of unliganded simian immunodeficiency virus gp120core led to the hypothesis that gp120 undergoes a major conformational change upon sCD4 binding. To investigate the conformational flexibility of gp120, we generated two forms of mutated gp120 amenable for NMR studies: one with V1, V2 and V3 omitted ((mut) gp120core ) and the other containing the V3 region [(mut) gp120core (+V3)]. The TROSY-(1)H-(15)N-HSQC spectra of [(2)H, (13)C, (15)N]Arg-labeled and [(2)H, (13)C, (15)N]Ile-labeled unliganded (mut) gp120core showed many fewer crosspeaks than the expected number, and also many fewer crosspeaks in comparison with the labeled (mut) gp120core bound to the CD4-mimic peptide, CD4M33. This finding suggests that in the unliganded form, (mut) gp120core shows considerable flexibility and motions on the millisecond time scale. In contrast, most of the expected crosspeaks were observed for the unliganded (mut) gp120core (+V3), and only a few changes in chemical shift were observed upon CD4M33 binding. These results indicate that (mut) gp120core (+V3) does not show any significant conformational flexibility in its unliganded form and does not undergo any significant conformational change upon CD4M33 binding, underlining the importance of V3 in stabilizing the gp120core conformation. © 2014 FEBS.

  2. Conformation of semi-flexible actin filaments in a nematic field

    NASA Astrophysics Data System (ADS)

    Zhang, Jian

    2003-03-01

    We are investigating the behavior of semi-flexible polymers in nematic solvents. A low concentration of fluorescently labeled semi-flexible actin filaments were dissolved in the nematic phase of rod-like fd virus. We controlled the nematic order parameter by changing background fd concentration, and we studied its influence on the conformation of actin filaments. Nearly complete stretching of the actin filaments along the nematic director was observed. To quantify this behavior we measured the tangent-tangent correlation function and the orientational distribution function (ODF) of segments along the filament. We observed that both tangent-tangent correlation function and the ODF were length dependent with long filaments being more highly aligned than short ones. The work is partially supported by NSF grants DMR-0203378 , the PENN MRSEC, DMR-0079909, and NASA grant NAG8-2172.

  3. Ion mobility-mass spectrometry of a rotary ATPase reveals ATP-induced reduction in conformational flexibility

    NASA Astrophysics Data System (ADS)

    Zhou, Min; Politis, Argyris; Davies, Roberta B.; Liko, Idlir; Wu, Kuan-Jung; Stewart, Alastair G.; Stock, Daniela; Robinson, Carol V.

    2014-03-01

    Rotary ATPases play fundamental roles in energy conversion as their catalytic rotation is associated with interdomain fluctuations and heterogeneity of conformational states. Using ion mobility mass spectrometry we compared the conformational dynamics of the intact ATPase from Thermus thermophilus with those of its membrane and soluble subcomplexes. Our results define regions with enhanced flexibility assigned to distinct subunits within the overall assembly. To provide a structural context for our experimental data we performed molecular dynamics simulations and observed conformational changes of the peripheral stalks that reflect their intrinsic flexibility. By isolating complexes at different phases of cell growth and manipulating nucleotides, metal ions and pH during isolation, we reveal differences that can be related to conformational changes in the Vo complex triggered by ATP binding. Together these results implicate nucleotides in modulating flexibility of the stator components and uncover mechanistic detail that underlies operation and regulation in the context of the holoenzyme.

  4. The role of side chain conformational flexibility in surface recognition by Tenebrio molitor antifreeze protein

    PubMed Central

    Daley, Margaret E.; Sykes, Brian D.

    2003-01-01

    Two-dimensional nuclear magnetic resonance spectroscopy was used to investigate the flexibility of the threonine side chains in the β-helical Tenebrio molitor antifreeze protein (TmAFP) at low temperatures. From measurement of the 3Jαβ 1H-1H scalar coupling constants, the χ1 angles and preferred rotamer populations can be calculated. It was determined that the threonines on the ice-binding face of the protein adopt a preferred rotameric conformation at near freezing temperatures, whereas the threonines not on the ice-binding face sample many rotameric states. This suggests that TmAFP maintains a preformed ice-binding conformation in solution, wherein the rigid array of threonines that form the AFP-ice interface matches the ice crystal lattice. A key factor in binding to the ice surface and inhibition of ice crystal growth appears to be the close surface-to-surface complementarity between the AFP and crystalline ice, and the lack of an entropic penalty associated with freezing out motions in a flexible ligand. PMID:12824479

  5. Enhanced conformational flexibility of the histone-like (HU) protein from Mycoplasma gallisepticum.

    PubMed

    Altukhov, Dmitry A; Talyzina, Anna A; Agapova, Yulia K; Vlaskina, Anna V; Korzhenevskiy, Dmitry A; Bocharov, Eduard V; Rakitina, Tatiana V; Timofeev, Vladimir I; Popov, Vladimir O

    2016-12-29

    The histone-like (HU) protein is one of the major nucleoid-associated proteins involved in DNA supercoiling and compaction into bacterial nucleoid as well as in all DNA-dependent transactions. This small positively charged dimeric protein binds DNA in a non-sequence specific manner promoting DNA super-structures. The majority of HU proteins are highly conserved among bacteria; however, HU protein from Mycoplasma gallisepticum (HUMgal) has multiple amino acid substitutions in the most conserved regions, which are believed to contribute to its specificity to DNA targets unusual for canonical HU proteins. In this work, we studied the structural dynamic properties of the HUMgal dimer by NMR spectroscopy and MD simulations. The obtained all-atom model displays compliance with the NMR data and confirms the heterogeneous backbone flexibility of HUMgal. We found that HUMgal, being folded into a dimeric conformation typical for HU proteins, has a labile α-helical body with protruded β-stranded arms forming DNA-binding domain that are highly flexible in the absence of DNA. The amino acid substitutions in conserved regions of the protein are likely to affect the conformational lability of the HUMgal dimer that can be responsible for complex functional behavior of HUMgal in vivo, e.g. facilitating its spatial adaptation to non-canonical DNA-targets.

  6. Subnanomolar Inhibitor of Cytochrome bc1 Complex Designed via Optimizing Interaction with Conformationally Flexible Residues

    PubMed Central

    Zhao, Pei-Liang; Wang, Le; Zhu, Xiao-Lei; Huang, Xiaoqin; Zhan, Chang-Guo; Wu, Jia-Wei; Yang, Guang-Fu

    2009-01-01

    Cytochrome bc1 complex (EC 1.10.2.2, bc1), an essential component of the cellular respiratory chain and the photosynthetic apparatus in photosynthetic bacteria, has been identified as a promising target for new drugs and agricultural fungicides. X-ray diffraction structures of the free bc1 complex and its complexes with various inhibitors revealed that the phenyl group of Phe274 in the binding pocket exhibited significant conformational flexibility upon different inhibitors binding to optimize respective π-π interactions, whereas the side chains of other hydrophobic residues showed conformational stability. Therefore, in the present study, a strategy of optimizing the π-π interaction with conformationally flexible residues was proposed to design and discover new bc1 inhibitors with a higher potency. Eight new compounds were designed and synthesized, among which compound 5c with a Ki value of 570 pM was identified as the most promising drug or fungicide candidate, significantly more potent than the commercially available bc1 inhibitors including azoxystrobin (AZ), kresoxim-methyl (KM), and pyraclostrobin (PY). To our knowledge, this is the first bc1 inhibitor discovered from structure-based design with a potency of subnanomolar Ki value. For all of the compounds synthesized and assayed, the calculated binding free energies correlated reasonably well with the binding free energies derived from the experimental Ki values with a correlation coefficient of r2 = 0.89. The further inhibitory kinetics studies revealed that compound 5c is a non-competitive inhibitor with respect to substrate cytochrome c, but is a competitive inhibitor with respect to substrate ubiquinol. Due to its subnanomolar Ki potency and slow dissociation rate constant (k−0 = 0.00358 s−1), compound 5c could be used as a specific probe for further elucidation of the mechanism of bc1 function and as a new lead compound for future drug discovery. PMID:19928849

  7. Controlling conformational flexibility of an O₂-binding H-NOX domain.

    PubMed

    Weinert, Emily E; Phillips-Piro, Christine M; Tran, Rosalie; Mathies, Richard A; Marletta, Michael A

    2011-08-16

    Heme Nitric oxide/OXygen binding (H-NOX) domains have provided a novel scaffold to probe ligand affinity in hemoproteins. Mutation of isoleucine 5, a conserved residue located in the heme-binding pocket of the H-NOX domain from Thermoanaerobacter tengcongensis (Tt H-NOX), was carried out to examine changes in oxygen (O(2))-binding properties. A series of I5 mutants (I5F, I5F/I75F, I5F/L144F, I5F/I75F/L144F) were investigated to probe the role of steric bulk within the heme pocket. The mutations significantly increased O(2) association rates (1.5-2.5-fold) and dissociation rates (8-190-fold) as compared to wild-type Tt H-NOX. Structural changes that accompanied the I5F mutation were characterized using X-ray crystallography and resonance Raman spectroscopy. A 1.67 Å crystal structure of the I5F mutant indicated that introducing a phenylalanine at position 5 resulted in a significant shift of the N-terminal domain of the protein, causing an opening of the heme pocket. This movement also resulted in an increased amount of flexibility at the N-terminus and the loop covering the N-terminal helix as indicated by the two conformations of the first six N-terminal amino acids, high B-factors in this region of the protein, and partially discontinuous electron density. In addition, introduction of a phenylalanine at position 5 resulted in increased flexibility of the heme within the pocket and weakened hydrogen bonding to the bound O(2) as measured by resonance Raman spectroscopy. This study provides insight into the critical role of I5 in controlling conformational flexibility and ligand affinity in H-NOX proteins.

  8. Large area mercuric iodide photodetectors

    SciTech Connect

    Iwanczyk, J.S.; Dabrowski, A.J.; Markakis, J.M.; Ortale, C.; Schnepple, W.F.

    1984-02-01

    Results of an investigation of large area mercuric iodide (HgI/sub 2/) photodetectors are reported. Different entrance contacts were studied, including semitransparent metallic films and conductive liquids. Theoretical calculations of electronic noise of these photodetectors were compared with experimental results. HgI/sub 2/ photodetectors with active area up to 4 cm/sup 2/ were matched with NaI(Tl) and CsI(Tl) scintillation crystals and were evaluated as gamma-radiation spectrometers. Energy resolution of 9.3% for gamma radiation of 511 keV with a CsI(Tl) scintillator and energy resolution of 9.0% for gamma radiation of 622 keV with a NaI(Tl) scintillator have been obtained.

  9. Mechanical transfer of ZnO nanowires for a flexible and conformal piezotronic strain sensor

    NASA Astrophysics Data System (ADS)

    Jenkins, Kory; Yang, Rusen

    2017-07-01

    We demonstrate a truly conformal and flexible piezotronic strain sensor using zinc oxide (ZnO) nanowires. Well-aligned, vertical ZnO nanowires are grown by chemical vapor deposition on a silicon wafer with a hydrothermally grown ZnO seed layer. The nanowires are infiltrated with polydimethylsiloxane and mechanically transferred from the silicon substrate. Plasma etching exposes the top surface of the nanowires before deposition of a gold (Au) top electrode. The bottom electrode is formed by silver paint which also adheres the sensor to the measured structure. To demonstrate the sensor’s ability to conform to complex surfaces, a stepped shaft with a shoulder fillet is used. The sensor is attached to the shoulder fillet of the stepped shaft, conforming to both the circumference of the shaft, and the radius of the fillet. A periodic bending displacement is applied to the end of the shaft. The strain induces a piezoelectric potential in the ZnO nanowires which controls the barrier height and conductivity at the gold/ZnO interface, by what is known as the piezotronic effect. The conductivity change is measured for periodically applied strains. The nonlinear current-voltage (I-V) response of the device is due to the Schottky contact between the ZnO nanowires and gold electrode. The geometry of the stepped shaft corresponds to a known stress concentration factor, and the strain experienced by the shaft is estimated with a COMSOL FEA study. The conformal nature of the strain sensor makes it suitable for structural monitoring applications involving complex geometries and stress concentrators.

  10. Targeted Conformational Search with Map-Restrained Self-Guided Langevin Dynamics: Application to Flexible Fitting of Electron Microscopy Images

    PubMed Central

    Wu, Xiongwu; Subramaniam, Sriram; Case, David A.; Wu, Katherine W.; Brooks, Bernard R.

    2013-01-01

    We present a map-restrained self-guided Langevin dynamics (MapSGLD) simulation method for efficient targeted conformational search. The targeted conformational search represents simulations under restraints defined by experimental observations and/or by user specified structural requirements. Through map-restraints, this method provides an efficient way to maintain substructures and to set structure targets during conformational searching. With an enhanced conformational searching ability of self-guided Langevin dynamics, this approach is suitable for simulating large-scale conformational changes, such as the formation of macromolecular assemblies and transitions between different conformational states. Using several examples, we illustrate the application of this method in flexible fitting of atomic structures into density maps from cryo-electron microscopy. PMID:23876978

  11. 4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening

    PubMed Central

    2011-01-01

    Background The performance of 3D-based virtual screening similarity functions is affected by the applied conformations of compounds. Therefore, the results of 3D approaches are often less robust than 2D approaches. The application of 3D methods on multiple conformer data sets normally reduces this weakness, but entails a significant computational overhead. Therefore, we developed a special conformational space encoding by means of Gaussian mixture models and a similarity function that operates on these models. The application of a model-based encoding allows an efficient comparison of the conformational space of compounds. Results Comparisons of our 4D flexible atom-pair approach with over 15 state-of-the-art 2D- and 3D-based virtual screening similarity functions on the 40 data sets of the Directory of Useful Decoys show a robust performance of our approach. Even 3D-based approaches that operate on multiple conformers yield inferior results. The 4D flexible atom-pair method achieves an averaged AUC value of 0.78 on the filtered Directory of Useful Decoys data sets. The best 2D- and 3D-based approaches of this study yield an AUC value of 0.74 and 0.72, respectively. As a result, the 4D flexible atom-pair approach achieves an average rank of 1.25 with respect to 15 other state-of-the-art similarity functions and four different evaluation metrics. Conclusions Our 4D method yields a robust performance on 40 pharmaceutically relevant targets. The conformational space encoding enables an efficient comparison of the conformational space. Therefore, the weakness of the 3D-based approaches on single conformations is circumvented. With over 100,000 similarity calculations on a single desktop CPU, the utilization of the 4D flexible atom-pair in real-world applications is feasible. PMID:21733172

  12. Modeling ion extraction from a free-plasma surface with a flexible conformal mesh

    NASA Astrophysics Data System (ADS)

    Humphries, Stanley

    2005-04-01

    This paper describes a new method for numerical modeling of extraction of high-current ion beams from a plasma source. The challenge in the application is to satisfy simultaneously requirements for space-charge-limited flow and uniform ion flux. The plasma surface must assume a special shape that is not known in advance. The method involves the use of finite-element techniques coupled with a dynamic conformal mesh. Starting from an initial estimate, the flexible mesh is shifted to achieve uniform flux over the emission surface. The approach achieves high accuracy and has the versatility to handle complex emission surfaces in gridded guns. In contrast to trial-and-error approaches, the method proceeds directly to the optimum solution. The technique can also be applied to determine cathode shapes for uniform-flux electron guns. Benchmark calculations using the Trak two-dimensional ray-tracing code are described. The program automatically carries out the surface search.

  13. Glutamate Racemase Dimerization Inhibits Dynamic Conformational Flexibility and Reduces Catalytic Rates

    SciTech Connect

    Mehboob, Shahila; Guo, Liang; Fu, Wentao; Mittal, Anuradha; Yau, Tiffany; Truong, Kent; Johlfs, Mary; Long, Fei; Fung, Leslie W.-M.; Johnson, Michael E.

    2009-09-15

    Glutamate racemase (RacE) is a bacterial enzyme that converts L-glutamate to D-glutamate, an essential precursor for peptidoglycan synthesis. In prior work, we have shown that both isoforms cocrystallize with D-glutamate as dimers, and the enzyme is in a closed conformation with limited access to the active site [May, M., et al. (2007) J. Mol. Biol. 371, 1219-1237]. The active site of RacE2 is especially restricted. We utilize several computational and experimental approaches to understand the overall conformational dynamics involved during catalysis when the ligand enters and the product exits the active site. Our steered molecular dynamics simulations and normal-mode analysis results indicate that the monomeric form of the enzyme is more flexible than the native dimeric form. These results suggest that the monomeric enzyme might be more active than the dimeric form. We thus generated site-specific mutations that disrupt dimerization and find that the mutants exhibit significantly higher catalytic rates in the D-Glu to L-Glu reaction direction than the native enzyme. Low-resolution models restored from solution X-ray scattering studies correlate well with the first six normal modes of the dimeric form of the enzyme, obtained from NMA. Thus, along with the local active site residues, global domain motions appear to be implicated in the catalytically relevant structural dynamics of this enzyme and suggest that increased flexibility may accelerate catalysis. This is a novel observation that residues distant from the catalytic site restrain catalytic activity through formation of the dimer structure.

  14. How Conformational Flexibility Stabilizes the Hyperthermophilic Elongation Factor G-domain

    PubMed Central

    Kalimeri, Maria; Rahaman, Obaidur; Melchionna, Simone; Sterpone, Fabio

    2014-01-01

    Proteins from thermophilic organisms are stable and functional well above ambient temperature. Understanding the molecular mechanism underlying such a resistance is of crucial interest for many technological applications. For some time, thermal stability has been assumed to correlate with high mechanical rigidity of the protein matrix. In this work we address this common belief by carefully studying a pair of homologous G-domain proteins, with their melting temperatures differing by 40 K. To probe the thermal-stability content of the two proteins we use extensive simulations covering the microsecond time range and employ several different indicators to assess the salient features of the conformational landscape and the role of internal fluctuations at ambient condition. At the atomistic level, while the magnitude of fluctuations is comparable, the distribution of flexible and rigid stretches of amino-acids is more regular in the thermophilic protein causing a cage-like correlation of amplitudes along the sequence. This caging effect is suggested to favor stability at high T by confining the mechanical excitations. Moreover, it is found that the thermophilic protein, when folded, visits a higher number of conformational substates than the mesophilic homologue. The entropy associated with the occupation of the different substates, along with the thermal resilience of the protein intrinsic compressibility, provide a qualitative insight on the thermal stability of the thermophilic protein as compared to its mesophilic homologue. Our findings potentially open the route to new strategies in the design of thermostable proteins. PMID:24087838

  15. On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters.

    PubMed

    Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof

    2010-10-28

    It is shown that the structural and physicochemical properties of arylboronic azaesters result from the properties of the key B-N bond. This bond is different in arylboronic azaesters from typical single/double/triple B-N bonds present in other boron-nitrogen compounds. By studying a model example, 6-tert-butyl-2-(3',5'-difluorophenyl)-(N-B)-1,3,6,2-dioxazaborocane, it is proved that the molecule adopts the closed form in the solid state with the BN bond length equal to 1.7646(3) Å. This represents the longest B-N bond length for an arylboronic ester reported in literature. According to the results of experimental charge density studies and QTAIM analysis, the BN bond/contact shows good separation of the respective atomic basins and significant flexibility. The source function and NBO analyses indicate an evident involvement of the oxygen atoms in the creation of the B-N bonding. According to our DFT calculations the isolated model molecule exists in the open conformer. The constrained energy scans reveal an E(d(B-N)) potential energy surface which depends strongly on the nature of the substituents at the nitrogen and aromatic carbon atoms. It appears that an appropriate substitution can produce either conformer. A dipole moment analysis provides a good insight into the reactivity properties of the compound in solution. The opening of the azaester cage is associated with a breaking of the B-N bond, thus decreasing the magnitude of the dipole moment. The existence of the open conformer is confirmed by multi-temperature NMR studies. When decreasing the temperature of the measurements the (1)H and (11)B NMR spectra show features corresponding to the open form of the model arylboronic azaester.

  16. Multiple disulfide bridges modulate conformational stability and flexibility in hyperthermophilic archaeal purine nucleoside phosphorylase.

    PubMed

    Bagarolo, Maria Libera; Porcelli, Marina; Martino, Elisa; Feller, Georges; Cacciapuoti, Giovanna

    2015-10-01

    5'-Deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus is a hexameric hyperthermophilic protein containing in each subunit two pairs of disulfide bridges, a CXC motif, and one free cysteine. The contribution of each disulfide bridge to the protein conformational stability and flexibility has been assessed by comparing the thermal unfolding and the limited proteolysis of the wild-type enzyme and its variants obtained by site-directed mutagenesis of the seven cysteine residues. All variants catalyzed efficiently MTA cleavage with specific activity similar to the wild-type enzyme. The elimination of all cysteine residues caused a substantial decrease of ΔHcal (850 kcal/mol) and Tmax (39°C) with respect to the wild-type indicating that all cysteine pairs and especially the CXC motif significantly contribute to the enzyme thermal stability. Disulfide bond Cys200-Cys262 and the CXC motif weakly affected protein flexibility while the elimination of the disulfide bond Cys138-Cys205 lead to an increased protease susceptibility. Experimental evidence from limited proteolysis, differential scanning calorimetry, and sodium dodecyl sulfate-polyacrylamide gel electrophoresis under reducing and nonreducing conditions also allowed to propose a stabilizing role for the free Cys164. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Substrate-free self-assembly approach toward large-area nanomembranes.

    PubMed

    Wang, Fei; Seo, Jung-Hun; Ma, Zhenqiang; Wang, Xudong

    2012-03-27

    Free-standing two-dimensional nanostrucutures, such as graphene and semiconductor nanomembranes (NMs) featuring their integration with flexible polymer substrates, address applications in which electronic devices need to be stretchable or conformally positioned to nonplanar surfaces. We report a surfactant-directed surface assembly approach to producing large-area NMs at the water-air interface. The NMs were produced by employing the surfactants as templates as well as incorporating them in the crystal structures. By using excess amount of sodium dodecylsulfate (SDS), a tightly packed monolayer of dodecylsulfate (DS) ion was formed and directed the crystallization of submillimeter-sized zinc hydroxy dodecylsulfate (ZHDS) single-crystalline NMs over the entire water surface. This free-standing NM can be readily transferred to an arbitrary substrate and converted to ZnO via heat treatment. A flexible thin-film transistor was also fabricated using the transferred NMs and demonstrated reasonably good n-type transport properties. This approach circumvented the needs of single-crystalline substrates for making large-area NMs from materials that do not possess a laminate structure. It is a low-cost and large-scale synthesis technique and has great potential in developing NMs and flexible devices from various functional materials that are not feasible by conventional selective etching or delamination approaches. © 2012 American Chemical Society

  18. Large-area Overhead Manipulator for Access of Fields

    USDA-ARS?s Scientific Manuscript database

    Multi-axis, cable-driven manipulators have evolved over many years providing large area suspended platform access, programmability, relatively rigid and flexibly-positioned platform control and full six degree of freedom (DOF) manipulation of sensors and tools. We describe innovations for a new six...

  19. A relational database of protein structures designed for flexible enquiries about conformation.

    PubMed

    Islam, S A; Sternberg, M J

    1989-03-01

    A relational database of protein structure has been developed to enable rapid and flexible enquiries about the occurrence of many aspects of protein architecture. The coordinates of 294 proteins from the Brookhaven Data Bank have been processed by standard computer programs to generate many additional terms that quantify aspects of protein structure. These terms include solvent accessibility, main-chain and side-chain dihedral angles, and secondary structure. In a relational database, the information is stored in tables with columns holding the different terms and rows holding the different entries for the terms. The different relational base tables store the information about the protein coordinate set, the different chains in the protein, the amino acid residues and ligands, the atomic coordinates, the salt bridges, the hydrogen bonds, the disulphide bridges and the close tertiary contacts. The database was established under ORACLE management system. Enquiries are constructed in ORACLE using SQL (structured query language) which is simple to use and alleviates the need for extensive computer programs. A single table can be searched for entries that meet various criteria, e.g. all protein solved to better than a given resolution. The power of the database occurs when several tables, or the entries in a single table, are cross-correlated. For example the dihedral angles of proline in the fourth position in an alpha-helix in high resolution structures can be rapidly obtained. The structural database provides a powerful tool to obtain empirical rules about protein conformation. This database of protein structures is part of a joint project between Birkbeck College and Leeds University to establish an integrated data resource of protein sequences and structures (ISIS) that encodes the complex patterns of residues and coordinates that define protein conformation. The entire data resource (ISIS) will provide a system to guide all areas of protein modelling including

  20. Limited conformational flexibility in the paratope may be responsible for degenerate specificity of HIV epitope recognition.

    PubMed

    Bhowmick, Arijit; Salunke, Dinakar M

    2013-02-01

    Exquisite specificity is the hallmark of antigen-antibody recognition. However, breakdown in the specific recognition potential culminating in the binding to multiple antigens by a single antibody has been observed, even after the maturation of the humoral response. While such a broad specificity may be expected to assist the host to counter the antigenic variations associated with an immune-evading pathogen, escape from immune surveillance by subtle epitopic mutations in pathogens like HIV and influenza virus has been clearly established. In the light of this dichotomy, the issues of degeneracy/specificity in the humoral response against such epitopes were analysed using three HIV-neutralizing epitopes and their variants as a model system. Cross-reactivity was observed in the polyclonal response against two of the epitopes. Multi-reactive mAb KEL10 was isolated against one of the epitopes, ELDKWA from this response. It is evident that even after the affinity maturation, antibodies showing binding to multiple variants of an immunizing peptide epitope existed. Binding kinetics and in silico structural analyses indicated that conserved interactions across epitopes and limited conformational flexibility in the paratope may account for the observed multi-reactivity. Though the affinity maturation process is expected to incorporate an extent of specificity to the paratope, there appear to be still some B-cell clones producing antibodies with subtle flexibility in their binding site, as demonstrated in case of KEL10. Generation of such antibodies against effective immunogens could be a possible approach for countering the antibody neutralization escape by various immune-evading pathogens.

  1. Dimer formation and conformational flexibility ensure cytoplasmic stability and nuclear accumulation of Elk-1

    PubMed Central

    Evans, Emma L.; Saxton, Janice; Shelton, Samuel J.; Begitt, Andreas; Holliday, Nicholas D.; Hipskind, Robert A.; Shaw, Peter E.

    2011-01-01

    The ETS (E26) protein Elk-1 serves as a paradigm for mitogen-responsive transcription factors. It is multiply phosphorylated by mitogen-activated protein kinases (MAPKs), which it recruits into pre-initiation complexes on target gene promoters. However, events preparatory to Elk-1 phosphorylation are less well understood. Here, we identify two novel, functional elements in Elk-1 that determine its stability and nuclear accumulation. One element corresponds to a dimerization interface in the ETS domain and the second is a cryptic degron adjacent to the serum response factor (SRF)-interaction domain that marks dimerization-defective Elk-1 for rapid degradation by the ubiquitin–proteasome system. Dimerization appears to be crucial for Elk-1 stability only in the cytoplasm, as latent Elk-1 accumulates in the nucleus and interacts dynamically with DNA as a monomer. These findings define a novel role for the ETS domain of Elk-1 and demonstrate that nuclear accumulation of Elk-1 involves conformational flexibility prior to its phosphorylation by MAPKs. PMID:21543455

  2. Dimer formation and conformational flexibility ensure cytoplasmic stability and nuclear accumulation of Elk-1.

    PubMed

    Evans, Emma L; Saxton, Janice; Shelton, Samuel J; Begitt, Andreas; Holliday, Nicholas D; Hipskind, Robert A; Shaw, Peter E

    2011-08-01

    The ETS (E26) protein Elk-1 serves as a paradigm for mitogen-responsive transcription factors. It is multiply phosphorylated by mitogen-activated protein kinases (MAPKs), which it recruits into pre-initiation complexes on target gene promoters. However, events preparatory to Elk-1 phosphorylation are less well understood. Here, we identify two novel, functional elements in Elk-1 that determine its stability and nuclear accumulation. One element corresponds to a dimerization interface in the ETS domain and the second is a cryptic degron adjacent to the serum response factor (SRF)-interaction domain that marks dimerization-defective Elk-1 for rapid degradation by the ubiquitin-proteasome system. Dimerization appears to be crucial for Elk-1 stability only in the cytoplasm, as latent Elk-1 accumulates in the nucleus and interacts dynamically with DNA as a monomer. These findings define a novel role for the ETS domain of Elk-1 and demonstrate that nuclear accumulation of Elk-1 involves conformational flexibility prior to its phosphorylation by MAPKs.

  3. Conformational Flexibility Enables Function of a BECN1 Region Essential for Starvation-Mediated Autophagy

    SciTech Connect

    Mei, Yang; Ramanathan, Arvind; Glover, Karen M.; Stanley, Christopher; Sanishvili, Ruslan; Chakravarthy, Srinivas; Yang, Zhongyu; Colbert, C L; Sinha, Sangita C.

    2016-04-05

    BECN1 is essential for autophagy, a critical eukaryotic cellular homeostasis pathway. Here we delineate a highly conserved BECN1 domain located between previously characterized BH3 and coiled-coil domains and elucidate its structure and role in autophagy. The 2.0 angstrom sulfur-single-wavelength anomalous dispersion X-ray crystal structure of this domain demonstrates that its N-terminal half is unstructured while its C-terminal half is helical; hence, we name it the flexible helical domain (FHD). Circular dichroism spectroscopy, double electron electron resonance electron paramagnetic resonance, and small-angle X-ray scattering (SAXS) analyses confirm that the FHD is partially disordered, even in the context of adjacent BECN1 domains. Molecular dynamic simulations fitted to SAXS data indicate that the FHD transiently samples more helical conformations. FHD helicity increases in 2,2,2-trifluoroethanol, suggesting it may become more helical upon binding. Lastly, cellular studies show that conserved FHD residues are required for starvation-induced autophagy. Thus, the FHD likely undergoes a binding-associated disorder to-helix transition, and conserved residues critical for this interaction are essential for starvation-induced autophagy.

  4. Torsional flexibility of B-DNA as revealed by conformational analysis.

    PubMed Central

    Zhurkin, V B; Lysov, Y P; Florentiev, V L; Ivanov, V I

    1982-01-01

    The thermal fluctuations of a regular double helix belonging to the B-family were studied by means of atom-atomic potentials method. The winding angle fluctuation was found to be 2.4 degrees for poly(dA):poly(dT) and 3.0 degrees for poly(dG):poly(dC). The reasonable agreement of these estimations with those obtained experimentally reveals the essential role of the small-amplitude torsional vibrations of atoms in the mechanism of the double helix flexibility. The calculated equilibrium winding angle, tau 0, essentially depends on the degree of neutralization of phosphate groups, being about 35.5 degrees for the full neutralization. The deoxyribose pucker is closely related to the tau angle: while tau proceeds from 30 degrees to 45 degrees the pseudorotation phase angle, P, increases from 126 degrees to 164 degrees. Fluctuations of the angles TL and TW, which specify inclination of the bases to the helix axis, were evaluated to be 5 degrees-10 degrees. Possible correlation between conformational changes in the adjacent nucleotides is discussed. PMID:7071023

  5. Conformational flexibility of a scorpion toxin active on mammals and insects: a circular dichroism study.

    PubMed

    Loret, E P; Sampieri, F; Roussel, A; Granier, C; Rochat, H

    1990-01-01

    Three scorpion toxins have been analyzed by circular dichroism in water and in 2,2,2-trifluoroethanol (TFE) solutions. These toxins were chosen because they are representative of three kinds of pharmacological activities: (1) toxin AaH IT2, an antiinsect toxin purified from the venom of Androctonus australis Hector, which is able to bind to insect nervous system preparation, (2) toxin Css II, from the venom of Centruroides suffusus suffusus, which is a beta-type antimammal toxin capable of binding to mammal nervous system preparation, and (3) the toxin Ts VII from the venom of Tityus serrulatus, which is able to bind to both types of nervous systems. In order to minimize bias, CD data were analyzed by a predictive algorithm to assess secondary structure content. Among the three molecules, Ts VII presented the most unordered secondary structure in water, but it gained in ordered forms when solubilized in TFE. These results indicated that the Ts VII backbone is the most flexible, which might result in a more pronounced tendency for this toxin molecule to undergo conformational changes. This is consistent with the fact that it competes with both antiinsect and beta-type antimammal toxins for the binding to the sodium channel.

  6. Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.

    PubMed

    Mei, Yang; Ramanathan, Arvind; Glover, Karen; Stanley, Christopher; Sanishvili, Ruslan; Chakravarthy, Srinivas; Yang, Zhongyu; Colbert, Christopher L; Sinha, Sangita C

    2016-04-05

    BECN1 is essential for autophagy, a critical eukaryotic cellular homeostasis pathway. Here we delineate a highly conserved BECN1 domain located between previously characterized BH3 and coiled-coil domains and elucidate its structure and role in autophagy. The 2.0 Å sulfur-single-wavelength anomalous dispersion X-ray crystal structure of this domain demonstrates that its N-terminal half is unstructured while its C-terminal half is helical; hence, we name it the flexible helical domain (FHD). Circular dichroism spectroscopy, double electron-electron resonance-electron paramagnetic resonance, and small-angle X-ray scattering (SAXS) analyses confirm that the FHD is partially disordered, even in the context of adjacent BECN1 domains. Molecular dynamic simulations fitted to SAXS data indicate that the FHD transiently samples more helical conformations. FHD helicity increases in 2,2,2-trifluoroethanol, suggesting it may become more helical upon binding. Lastly, cellular studies show that conserved FHD residues are required for starvation-induced autophagy. Thus, the FHD likely undergoes a binding-associated disorder-to-helix transition, and conserved residues critical for this interaction are essential for starvation-induced autophagy.

  7. Inorganic semiconductors for flexible electronics.

    SciTech Connect

    Sun, Y.; Rogers, J. A.; Center for Nanoscale Materials; Univ. of Illinois

    2007-08-03

    This article reviews several classes of inorganic semiconductor materials that can be used to form high-performance thin-film transistors (TFTs) for large area, flexible electronics. Examples ranging from thin films of various forms of silicon to nanoparticles and nanowires of compound semiconductors are presented, with an emphasis on methods of depositing and integrating thin films of these materials into devices. Performance characteristics, including both electrical and mechanical behavior, for isolated transistors as well as circuits with various levels of complexity are reviewed. Collectively, the results suggest that flexible or printable inorganic materials may be attractive for a range of applications not only in flexible but also in large-area electronics, from existing devices such as flat-panel displays to more challenging (in terms of both cost and performance requirements) systems such as large area radiofrequency communication devices, structural health monitors, and conformal X-ray imagers.

  8. Conformational flexibility around the Gal-β-(1 → 3)-Glc linkage: Experimental evidence for the existence of the anti-ψ conformation in aqueous solution.

    PubMed

    Vidal, Paloma; Jiménez-Barbero, Jesús; Espinosa, Juan F

    2016-10-04

    NOE-based analysis of the disaccharide β-Gal-(1 → 3)-β-Glc-OMe (1), especially a diagnostic Gal1-Glc4 NOE detected in a HSQC-NOESY spectrum, reveals the existence of the anti-ψ conformer in aqueous solution in addition to the major syn conformer. This result provides experimental proof of conformational flexibility around the aglyconic bond of β-(1 → 3) disaccharides, in contrast to previous studies that suggested that the flexibility around this linkage was restricted to the syn conformational region.

  9. An engineered scorpion toxin analogue with improved Kv1.3 selectivity displays reduced conformational flexibility

    PubMed Central

    Bartok, Adam; Fehér, Krisztina; Bodor, Andrea; Rákosi, Kinga; Tóth, Gábor K.; Kövér, Katalin E.; Panyi, Gyorgy; Varga, Zoltan

    2015-01-01

    The voltage-gated Kv1.3 K+ channel plays a key role in the activation of T lymphocytes. Kv1.3 blockers selectively suppress immune responses mediated by effector memory T cells, which indicates the great potential of selective Kv1.3 inhibitors in the therapy of certain autoimmune diseases. Anuroctoxin (AnTx), a 35-amino-acid scorpion toxin is a high affinity blocker of Kv1.3, but also blocks Kv1.2 with similar potency. We designed and produced three AnTx variants: ([F32T]-AnTx, [N17A]-AnTx, [N17A/F32T]-AnTx) using solid-phase synthesis with the goal of improving the selectivity of the toxin for Kv1.3 over Kv1.2 while keeping the high affinity for Kv1.3. We used the patch-clamp technique to determine the blocking potency of the synthetic toxins on hKv1.3, mKv1.1, hKv1.2 and hKCa3.1 channels. Of the three variants [N17A/F32T]-AnTx maintained the high affinity of the natural peptide for Kv1.3 but became more than 16000-fold selective over Kv1.2. NMR data and molecular dynamics simulations suggest that the more rigid structure with restricted conformational space of the double substituted toxin compared to the flexible wild-type one is an important determinant of toxin selectivity. Our results provide the foundation for the possibility of the production and future therapeutic application of additional, even more selective toxins targeting various ion channels. PMID:26689143

  10. The membrane anchor of the transcriptional activator SREBP is characterized by intrinsic conformational flexibility

    PubMed Central

    Linser, Rasmus; Salvi, Nicola; Briones, Rodolfo; Rovó, Petra; de Groot, Bert L.; Wagner, Gerhard

    2015-01-01

    Regulated intramembrane proteolysis (RIP) is a conserved mechanism crucial for numerous cellular processes, including signaling, transcriptional regulation, axon guidance, cell adhesion, cellular stress responses, and transmembrane protein fragment degradation. Importantly, it is relevant in various diseases including Alzheimer’s disease, cardiovascular diseases, and cancers. Even though a number of structures of different intramembrane proteases have been solved recently, fundamental questions concerning mechanistic underpinnings of RIP and therapeutic interventions remain. In particular, this includes substrate recognition, what properties render a given substrate amenable for RIP, and how the lipid environment affects the substrate cleavage. Members of the sterol regulatory element-binding protein (SREBP) family of transcription factors are critical regulators of genes involved in cholesterol/lipid homeostasis. After site-1 protease cleavage of the inactive SREBP transmembrane precursor protein, RIP of the anchor intermediate by site-2 protease generates the mature transcription factor. In this work, we have investigated the labile anchor intermediate of SREBP-1 using NMR spectroscopy. Surprisingly, NMR chemical shifts, site-resolved solvent exposure, and relaxation studies show that the cleavage site of the lipid-signaling protein intermediate bears rigid α-helical topology. An evolutionary conserved motif, by contrast, interrupts the secondary structure ∼9–10 residues C-terminal of the scissile bond and acts as an inducer of conformational flexibility within the carboxyl-terminal transmembrane region. These results are consistent with molecular dynamics simulations. Topology, stability, and site-resolved dynamics data suggest that the cleavage of the α-helical substrate in the case of RIP may be associated with a hinge motion triggered by the molecular environment. PMID:26392539

  11. Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence

    NASA Astrophysics Data System (ADS)

    Piccirillo, Erika; Merget, Benjamin; Sotriffer, Christoph A.; do Amaral, Antonia T.

    2016-03-01

    The dengue virus (DENV) has four well-known serotypes, namely DENV1 to DENV4, which together cause 50-100 million infections worldwide each year. DENV NS2B/NS3pro is a protease recognized as a valid target for DENV antiviral drug discovery. However, NS2B/NS3pro conformational flexibility, involving in particular the NS2B region, is not yet completely understood and, hence, a big challenge for any virtual screening (VS) campaign. Molecular dynamics (MD) simulations were performed in this study to explore the DENV3 NS2B/NS3pro binding-site flexibility and obtain guidelines for further VS studies. MD simulations were done with and without the Bz-nKRR-H inhibitor, showing that the NS2B region stays close to the NS3pro core even in the ligand-free structure. Binding-site conformational states obtained from the simulations were clustered and further analysed using GRID/PCA, identifying four conformations of potential importance for VS studies. A virtual screening applied to a set of 31 peptide-based DENV NS2B/NS3pro inhibitors, taken from literature, illustrated that selective alternative pharmacophore models can be constructed based on conformations derived from MD simulations. For the first time, the NS2B/NS3pro binding-site flexibility was evaluated for all DENV serotypes using homology models followed by MD simulations. Interestingly, the number of NS2B/NS3pro conformational states differed depending on the serotype. Binding-site differences could be identified that may be crucial to subsequent VS studies.

  12. Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index

    NASA Astrophysics Data System (ADS)

    Montanari, C. A.; Tute, M. S.; Beezer, A. E.; Mitchell, J. C.

    1996-02-01

    Results are presented for a QSAR analysis of bisamidines, using a similarity index as descriptor. The method allows for differences in conformation of bisamidines at the receptor site to be taken into consideration. In particular, it has been suggested by others that pentamidine binds in the minor groove of DNA in a so-called isohelical conformation, and our QSAR supports this suggestion. The molecular similarity index for comparison of molecules can be used as a parameter for correlating and hence rationalising the activity as well as suggesting the design of bioactive molecules. The studied compounds had been evaluated for potency against Leishmania mexicana amazonensis, and this potency was used as a dependent variable in a series of QSAR analyses. For the calculation of similarity indexes, each analogue was in turn superimposed on a chosen lead compound in a reference conformation, either extended or isohelical, maximising overlap and hence similarity by flexible fitting.

  13. Infrared linear dichroism as a tool to monitor antitumor drug-induced changes of the conformational flexibility of biopolymers

    NASA Astrophysics Data System (ADS)

    Fritzsche, H.

    1990-03-01

    Conformational changes of biopolymers are often a prerequisite for their biological functioning. Drugs are able to induce restrictions of the conformational flexibility of their biopolymer targets. We studied oriented films of DNA complexed with drugs of potential antitumor activity. The infrared linear dichroism reflects quantitatively the extent of restriction, in this case the repression of the conformational transition of DNA from the B to the A form which is driven by the water activity. The investigated drugs show very different capabilities to restrict the B-A transition of DNA. Strong effects have been found with several nonintercalating as well as intercalating antitumor antibiotics which "freeze" 10-24 DNA base pairs per drug molecule which is up to 2.5 turns of the double helix. The results contribute to a rationale drug design as well as to a better understanding of their antitumor action on the molecular level.

  14. Predictive approach for protein aggregation: Correlation of protein surface characteristics and conformational flexibility to protein aggregation propensity.

    PubMed

    Galm, Lara; Amrhein, Sven; Hubbuch, Jürgen

    2016-02-08

    The aggregation of proteins became one of the major challenges in the development of biopharmaceu-ticals since the formation of aggregates can affect drug quality and immunogenicity. However, aggregation mechanisms are highly complex and the investigation requires cost, time, and material intensive experi-mental effort. In the present work, the predictive power of protein characteristics for the phase behavior of three different proteins which are very similar in size and structure was studied. In particular, the surface hydrophobicity, zeta potential, and conformational flexibility of human lysozyme, lysozyme from chicken egg white, and α-lactalbumin at pH 3, 5, 7, and 9 were assessed and examined for correlation with experimental stability studies focusing on protein phase behavior induced by sodium chloride and ammonium sulfate. The molecular dynamics (MD) simulation based study of the conformational flexibility without precipitants was able to identify highly flexible protein regions which could be associated to the less regular secondary structure elements and random coiled and terminal regions in particular. Conformational flex-ibility of the entire protein structure and protein surface hydrophobicity could be correlated to differing aggregation propensities among the studied proteins and could be identified to be applicable for predic-tion of protein phase behavior in aqueous solution without precipitants. For prediction of protein phase behavior and aggregation propensity in aqueous solution with precipitants, protein flexibility was further studied in dependency of salt concentration and species by means of human lysozyme. Even though the results of the salt dependent MD simulations could not be shown to be sufficient for prediction of salt depending phase behavior, this study revealed a more pronounced destabilizing effect of ammonium sulfate in comparison to sodium chloride and thus, was found to be in good agreement with theoretical considerations

  15. Insights into protein flexibility: The relationship between normal modes and conformational change upon protein–protein docking

    PubMed Central

    Dobbins, Sara E.; Lesk, Victor I.; Sternberg, Michael J. E.

    2008-01-01

    Understanding protein interactions has broad implications for the mechanism of recognition, protein design, and assigning putative functions to uncharacterized proteins. Studying protein flexibility is a key component in the challenge of describing protein interactions. In this work, we characterize the observed conformational change for a set of 20 proteins that undergo large conformational change upon association (>2 Å Cα RMSD) and ask what features of the motion are successfully reproduced by the normal modes of the system. We demonstrate that normal modes can be used to identify mobile regions and, in some proteins, to reproduce the direction of conformational change. In 35% of the proteins studied, a single low-frequency normal mode was found that describes well the direction of the observed conformational change. Finally, we find that for a set of 134 proteins from a docking benchmark that the characteristic frequencies of normal modes can be used to predict reliably the extent of observed conformational change. We discuss the implications of the results for the mechanics of protein recognition. PMID:18641126

  16. Modular hyperthermostable bacterial endo-β-1,4-mannanase: molecular shape, flexibility and temperature-dependent conformational changes.

    PubMed

    da Silva, Viviam M; Colussi, Francieli; de Oliveira Neto, Mario; Braz, Antonio S K; Squina, Fabio M; Oliveira, Cristiano L P; Garcia, Wanius

    2014-01-01

    Endo-β-1,4-mannanase from Thermotoga petrophila (TpMan) is a hyperthermostable enzyme that catalyzes the hydrolysis of β-1,4-mannoside linkages in various mannan-containing polysaccharides. A recent study reported that TpMan is composed of a GH5 catalytic domain joined by a linker to a carbohydrate-binding domain. However, at this moment, there is no three-dimensional structure determined for TpMan. Little is known about the conformation of the TpMan as well as the role of the length and flexibility of the linker on the spatial arrangement of the constitutive domains. In this study, we report the first structural characterization of the entire TpMan by small-angle X-ray scattering combined with the three-dimensional structures of the individual domains in order to shed light on the low-resolution model, overall dimensions, and flexibility of this modular enzyme at different temperatures. The results are consistent with a linker with a compact structure and that occupies a small volume with respect to its large number of amino acids. Furthermore, at 20°C the results are consistent with a model where TpMan is a molecule composed of three distinct domains and that presents some level of molecular flexibility in solution. Even though the full enzyme has some degree of molecular flexibility, there might be a preferable conformation, which could be described by the rigid-body modeling procedure. Finally, the results indicate that TpMan undergoes a temperature-driven transition between conformational states without a significant disruption of its secondary structure. Our results suggest that the linker can optimize the geometry between the other two domains with respect to the substrate at high temperatures. These studies should provide a useful basis for future biophysical studies of entire TpMan.

  17. Modular Hyperthermostable Bacterial Endo-β-1,4-Mannanase: Molecular Shape, Flexibility and Temperature-Dependent Conformational Changes

    PubMed Central

    de Oliveira Neto, Mario; Braz, Antonio S. K.; Squina, Fabio M.; Oliveira, Cristiano L. P.; Garcia, Wanius

    2014-01-01

    Endo-β-1,4-mannanase from Thermotoga petrophila (TpMan) is a hyperthermostable enzyme that catalyzes the hydrolysis of β-1,4-mannoside linkages in various mannan-containing polysaccharides. A recent study reported that TpMan is composed of a GH5 catalytic domain joined by a linker to a carbohydrate-binding domain. However, at this moment, there is no three-dimensional structure determined for TpMan. Little is known about the conformation of the TpMan as well as the role of the length and flexibility of the linker on the spatial arrangement of the constitutive domains. In this study, we report the first structural characterization of the entire TpMan by small-angle X-ray scattering combined with the three-dimensional structures of the individual domains in order to shed light on the low-resolution model, overall dimensions, and flexibility of this modular enzyme at different temperatures. The results are consistent with a linker with a compact structure and that occupies a small volume with respect to its large number of amino acids. Furthermore, at 20°C the results are consistent with a model where TpMan is a molecule composed of three distinct domains and that presents some level of molecular flexibility in solution. Even though the full enzyme has some degree of molecular flexibility, there might be a preferable conformation, which could be described by the rigid-body modeling procedure. Finally, the results indicate that TpMan undergoes a temperature-driven transition between conformational states without a significant disruption of its secondary structure. Our results suggest that the linker can optimize the geometry between the other two domains with respect to the substrate at high temperatures. These studies should provide a useful basis for future biophysical studies of entire TpMan. PMID:24671161

  18. Large area perovskite solar cell module

    NASA Astrophysics Data System (ADS)

    Cai, Longhua; Liang, Lusheng; Wu, Jifeng; Ding, Bin; Gao, Lili; Fan, Bin

    2017-01-01

    The recent dramatic rise in power conversion efficiencies (PCE) of perovskite solar cells has triggered intense research worldwide. However, their practical development is hampered by poor stability and low PCE values with large areas devices. Here, we developed a gas-pumping method to avoid pinholes and eliminate local structural defects over large areas of perovskite film, even for 5 × 5 cm2 modules, the PCE reached 10.6% and no significant degradation was found after 140 days of outdoor testing. Our approach enables the realization of high performance large-area PSCs for practical application.

  19. Flexibility.

    ERIC Educational Resources Information Center

    Humphrey, L. Dennis

    1981-01-01

    Flexibility is an important aspect of all sports and recreational activities. Flexibility can be developed and maintained by stretching exercises. Exercises designed to develop flexibility in ankle joints, knees, hips, and the lower back are presented. (JN)

  20. Flexibility.

    ERIC Educational Resources Information Center

    Humphrey, L. Dennis

    1981-01-01

    Flexibility is an important aspect of all sports and recreational activities. Flexibility can be developed and maintained by stretching exercises. Exercises designed to develop flexibility in ankle joints, knees, hips, and the lower back are presented. (JN)

  1. The statistical conformation of a highly flexible protein: small-angle X-ray scattering of S. aureus protein A.

    PubMed

    Capp, Jo A; Hagarman, Andrew; Richardson, David C; Oas, Terrence G

    2014-08-05

    Staphylococcal protein A (SpA) is a multidomain protein consisting of five globular IgG binding domains separated by a conserved six- to nine-residue flexible linker. We collected SAXS data on the N-terminal protein-binding half of SpA (SpA-N) and constructs consisting of one to five domain modules in order to determine statistical conformation of this important S. aureus virulence factor. We fit the SAXS data to a scattering function based on a new polymer physics model, which provides an analytical description of the SpA-N statistical conformation. We describe a protocol for systematically determining the appropriate level of modeling to fit a SAXS data set based on goodness of fit and whether the addition of parameters improves it. In the case of SpA-N, the analytical polymer physics description provides a depiction of the statistical conformation of a flexible protein that, while lacking atomistic detail, properly reflects the information content of the data.

  2. Atomic structure of recombinant thaumatin II reveals flexible conformations in two residues critical for sweetness and three consecutive glycine residues.

    PubMed

    Masuda, Tetsuya; Mikami, Bunzo; Tani, Fumito

    2014-11-01

    Thaumatin, an intensely sweet-tasting protein used as a sweetener, elicits a sweet taste at 50 nM. Although two major variants designated thaumatin I and thaumatin II exist in plants, there have been few dedicated thaumatin II structural studies and, to date, data beyond atomic resolution had not been obtained. To identify the detailed structural properties explaining why thaumatin elicits a sweet taste, the structure of recombinant thaumatin II was determined at the resolution of 0.99 Å. Atomic resolution structural analysis with riding hydrogen atoms illustrated the differences in the direction of the side-chains more precisely and the electron density maps of the C-terminal regions were markedly improved. Though it had been suggested that the three consecutive glycine residues (G142-G143-G144) have highly flexible conformations, G143, the central glycine residue was successfully modelled in two conformations for the first time. Furthermore, the side chain r.m.s.d. values for two residues (R67 and R82) critical for sweetness exhibited substantially higher values, suggesting that these residues are highly disordered. These results demonstrated that the flexible conformations in two critical residues favoring their interaction with sweet taste receptors are prominent features of the intensely sweet taste of thaumatin.

  3. Solution conformation and flexibility of capsular polysaccharides from Neisseria meningitidis and glycoconjugates with the tetanus toxoid protein

    NASA Astrophysics Data System (ADS)

    Abdelhameed, Ali Saber; Morris, Gordon A.; Almutairi, Fahad; Adams, Gary G.; Duvivier, Pierre; Conrath, Karel; Harding, Stephen E.

    2016-10-01

    The structural integrity of meningococcal native, micro-fluidized and activated capsular polysaccharides and their glycoconjugates – in the form most relevant to their potential use as vaccines (dilute solution) - have been investigated with respect to their homogeneity, conformation and flexibility. Sedimentation velocity analysis showed that the polysaccharide size distributions were generally bimodal with some evidence for higher molar mass forms at higher concentration. Weight average molar masses Mw where lower for activated polysaccharides. Conjugation with tetanus toxoid protein however greatly increased the molar mass and polydispersity of the final conjugates. Glycoconjugates had an approximately unimodal log-normal but broad and large molar mass profiles, confirmed by sedimentation equilibrium “SEDFIT MSTAR” analysis. Conformation analysis using HYDFIT (which globally combines sedimentation and viscosity data), “Conformation Zoning” and Wales-van Holde approaches showed a high degree of flexibility – at least as great as the unconjugated polysaccharides, and very different from the tetanus toxoid (TT) protein used for the conjugation. As with the recently published finding for Hib-TT complexes, it is the carbohydrate component that dictates the solution behaviour of these glycoconjugates, although the lower intrinsic viscosities suggest some degree of compaction of the carbohydrate chains around the protein.

  4. Solution conformation and flexibility of capsular polysaccharides from Neisseria meningitidis and glycoconjugates with the tetanus toxoid protein

    PubMed Central

    Abdelhameed, Ali Saber; Morris, Gordon A.; Almutairi, Fahad; Adams, Gary G.; Duvivier, Pierre; Conrath, Karel; Harding, Stephen E.

    2016-01-01

    The structural integrity of meningococcal native, micro-fluidized and activated capsular polysaccharides and their glycoconjugates – in the form most relevant to their potential use as vaccines (dilute solution) - have been investigated with respect to their homogeneity, conformation and flexibility. Sedimentation velocity analysis showed that the polysaccharide size distributions were generally bimodal with some evidence for higher molar mass forms at higher concentration. Weight average molar masses Mw where lower for activated polysaccharides. Conjugation with tetanus toxoid protein however greatly increased the molar mass and polydispersity of the final conjugates. Glycoconjugates had an approximately unimodal log-normal but broad and large molar mass profiles, confirmed by sedimentation equilibrium “SEDFIT MSTAR” analysis. Conformation analysis using HYDFIT (which globally combines sedimentation and viscosity data), “Conformation Zoning” and Wales-van Holde approaches showed a high degree of flexibility – at least as great as the unconjugated polysaccharides, and very different from the tetanus toxoid (TT) protein used for the conjugation. As with the recently published finding for Hib-TT complexes, it is the carbohydrate component that dictates the solution behaviour of these glycoconjugates, although the lower intrinsic viscosities suggest some degree of compaction of the carbohydrate chains around the protein. PMID:27782149

  5. Influence of conformational flexibility on self-assembly and luminescence properties of lanthanide coordination polymers with flexible exo-bidentate biphenol derivatives.

    PubMed

    Guo, Yanling; Dou, Wei; Zhou, Xiaoyan; Liu, Weisheng; Qin, Wenwu; Zang, Zhipeng; Zhang, Hongrui; Wang, Daqi

    2009-04-20

    To explore how nonplanar conformational distortions affect supramolecular self-assembly and properties of lanthanide complexes, we have designed and synthesized two new flexible exo-bidentate ligands derived from biphenol featuring two salicylamide pendant arms, 2,2'-bis{[(2'-benzylaminoformyl)phenoxyl]ethoxyl}-1,1'-biphenylene (L(I)) and 5,5'-dibromo-2,2'-bis{[(2'-benzylaminoformyl)phenoxyl]ethoxyl}-1,1'-biphenylene (L(II)). These two structurally related ligands can have different conformations and are used for constructing diverse lanthanide polymers with interesting luminescence properties. Among two series of lanthanide nitrate complexes which have been characterized by elemental analysis, X-ray powder diffraction, and IR spectroscopy, four new coordination polymers have been determined using X-ray diffraction analysis. The coordination polymer type {Ln(2)(NO(3))(6)(L(I))(3).3H(2)O}(infinity) (Ln = Nd, Sm, Eu, Gd, Tb or Dy) displays a two-dimensional honeycomb-like framework in the ab plane, which can be regarded as a (6,3) topological network with neodymium atoms acting as "three-connected" centers. In contrast, the coordination polymer types {[Nd(NO(3))(3)(L(II))(CH(3)OH)] x CH(3)OH}(infinity) and [Ln(NO(3))(3)(L(II))(C(2)H(5)OH)](infinity) (Ln = Sm, Eu, Gd, Tb or Dy) possess single-stranded helix chains which can be further connected through intermolecular hydrogen bonds to form two-dimensional supramolecular sheets. The photophysical properties of trivalent Sm, Eu, Tb, and Dy complexes at room temperature were investigated. The present work substantiates the claim that the supramolecular structure as well as the luminescence properties of the coordination polymer can be tuned by controlling the conformational distortion of a nonplanar flexible ligand in the supramolecular self-assembly.

  6. Enhanced thermal stability achieved without increased conformational rigidity at physiological temperatures: spatial propagation of differential flexibility in rubredoxin hybrids.

    PubMed

    LeMaster, David M; Tang, Jianzhong; Paredes, Diana I; Hernández, Griselda

    2005-11-15

    The extreme thermal stability of proteins from hyperthermophilic organisms is widely believed to arise from an increased conformational rigidity in the native state. In apparent contrast to this paradigm, both Pyrococcus furiosus (Pf) rubredoxin, the most thermostable protein characterized to date, and its Clostridium pasteurianum (Cp) mesophile homolog undergo a transient conformational opening of their multi-turn segments, which is more favorable in hyperthermophile proteins below room temperature. Substitution of the hyperthermophile multi-turn sequence into the mesophile protein sequence yields a hybrid, (14-33(Pf)) Cp, that exhibits a 12 degrees increase in its reversible thermal unfolding transition midpoint. Nuclear magnetic resonance (NMR) magnetization transfer-based hydrogen exchange was used to monitor backbone conformational dynamics in the subsecond time regime. Despite the substantially increased thermostability, flexibility throughout the entire main chain of the more thermostable hybrid is equal to or greater than that of the wild type mesophile rubredoxin near its normal growth temperature. In comparison to the identical core residues of the (14-33(Pf)) Cp rubredoxin hybrid, six spatially clustered residues in the parental mesophile protein exhibit a substantially larger temperature dependence of exchange. The exchange behavior of these six residues closely matches that observed in the multi-turn segment, consistent with a more extensive conformational process. These six core residues exhibit a much weaker temperature dependence of exchange in the (14-33(Pf)) Cp hybrid, similar to that observed for the multi-turn segment in its parental Pf rubredoxin. These results suggest that differential temperature dependence of flexibility can underlie variations in thermostability observed for mesophile versus hyperthermophile homologs.

  7. Hot spots in cold adaptation: Localized increases in conformational flexibility in lactate dehydrogenase A4 orthologs of Antarctic notothenioid fishes

    PubMed Central

    Fields, Peter A.; Somero, George N.

    1998-01-01

    To elucidate mechanisms of enzymatic adaptation to extreme cold, we determined kinetic properties, thermal stabilities, and deduced amino acid sequences of lactate dehydrogenase A4 (A4-LDH) from nine Antarctic (−1.86 to 1°C) and three South American (4 to 10°C) notothenioid teleosts. Higher Michaelis–Menten constants (Km) and catalytic rate constants (kcat) distinguish orthologs of Antarctic from those of South American species, but no relationship exists between adaptation temperature and the rate at which activity is lost because of heat denaturation. In all species, active site residues are conserved fully, and differences in kcat and Km are caused by substitutions elsewhere in the molecule. Within geographic groups, identical kinetic properties are generated by different substitutions. By combining our data with A4-LDH sequences for other vertebrates and information on roles played by localized conformational changes in setting kcat, we conclude that notothenioid A4-LDHs have adapted to cold temperatures by increases in flexibility in small areas of the molecule that affect the mobility of adjacent active-site structures. Using these findings, we propose a model that explains linked temperature-adaptive variation in Km and kcat. Changes in sequence that increase flexibility of regions of the enzyme involved in catalytic conformational changes may reduce energy (enthalpy) barriers to these rate-governing shifts in conformation and, thereby, increase kcat. However, at a common temperature of measurement, the higher configurational entropy of a cold-adapted enzyme may foster conformations that bind ligands poorly, leading to high Km values relative to warm-adapted orthologs. PMID:9736762

  8. Discovery of antiglioma activity of biaryl 1,2,3,4-tetrahydroisoquinoline derivatives and conformationally flexible analogues.

    PubMed

    Mohler, Michael L; Kang, Gyong-Suk; Hong, Seoung-Soo; Patil, Renukadevi; Kirichenko, Oleg V; Li, Wei; Rakov, Igor M; Geisert, Eldon E; Miller, Duane D

    2006-09-21

    Cultured rat astrocytes and C6 rat glioma were used as a differential screen for a variety of 1,2,3,4-tetrahydroisoquinoline (THI) derivatives. Compound 1 [1-(biphenyl-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride] selectively blocked the growth of C6 glioma leaving normal astrocytes relatively unaffected. The potential for clinical utility of 1 was further substantiated in human gliomas and other tumor cell lines. Preliminary SAR of this activity was characterized by synthesis and testing of several THI and conformationally flexible variants.

  9. Conformational diversity of flexible ligand in metal-organic frameworks controlled by size-matching mixed ligands

    SciTech Connect

    Hua, Xiu-Ni; Qin, Lan; Yan, Xiao-Zhi; Yu, Lei; Xie, Yi-Xin; Han, Lei

    2015-12-15

    Hydrothermal reactions of N-auxiliary flexible exo-bidentate ligand 1,3-bis(4-pyridyl)propane (bpp) and carboxylates ligands naphthalene-2,6-dicarboxylic acid (2,6-H{sub 2}ndc) or 4,4′-(hydroxymethylene)dibenzoic acid (H{sub 2}hmdb), in the presence of cadmium(II) salts have given rise to two novel metal-organic frameworks based on flexible ligands (FL-MOFs), namely, [Cd{sub 2}(2,6-ndc){sub 2}(bpp)(DMF)]·2DMF (1) and [Cd{sub 3}(hmdb){sub 3}(bpp)]·2DMF·2EtOH (2) (DMF=N,N-Dimethylformamide). Single-crystal X-ray diffraction analyses revealed that compound 1 exhibits a three-dimensional self-penetrating 6-connected framework based on dinuclear cluster second building unit. Compound 2 displays an infinite three-dimensional ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster and V-shaped organic linkers. The flexible bpp ligand displays different conformations in 1 and 2, which are successfully controlled by size-matching mixed ligands during the self-assembly process. - Graphical abstract: Compound 1 exhibits a 3D self-penetrating 6-connected framework based on dinuclear cluster, and 2 displays an infinite 3D ‘Lucky Clover’ shape (2,10)-connected network based on the trinuclear cluster. The flexible 1,3-bis(4-pyridyl)propane ligand displays different conformations in 1 and 2, which successfully controlled by size-matching mixed ligands during the self-assembly process.

  10. Exploring the potential of a structural alphabet-based tool for mining multiple target conformations and target flexibility insight.

    PubMed

    Regad, Leslie; Chéron, Jean-Baptiste; Triki, Dhoha; Senac, Caroline; Flatters, Delphine; Camproux, Anne-Claude

    2017-01-01

    Protein flexibility is often implied in binding with different partners and is essential for protein function. The growing number of macromolecular structures in the Protein Data Bank entries and their redundancy has become a major source of structural knowledge of the protein universe. The analysis of structural variability through available redundant structures of a target, called multiple target conformations (MTC), obtained using experimental or modeling methods and under different biological conditions or different sources is one way to explore protein flexibility. This analysis is essential to improve the understanding of various mechanisms associated with protein target function and flexibility. In this study, we explored structural variability of three biological targets by analyzing different MTC sets associated with these targets. To facilitate the study of these MTC sets, we have developed an efficient tool, SA-conf, dedicated to capturing and linking the amino acid and local structure variability and analyzing the target structural variability space. The advantage of SA-conf is that it could be applied to divers sets composed of MTCs available in the PDB obtained using NMR and crystallography or homology models. This tool could also be applied to analyze MTC sets obtained by dynamics approaches. Our results showed that SA-conf tool is effective to quantify the structural variability of a MTC set and to localize the structural variable positions and regions of the target. By selecting adapted MTC subsets and comparing their variability detected by SA-conf, we highlighted different sources of target flexibility such as induced by binding partner, by mutation and intrinsic flexibility. Our results support the interest to mine available structures associated with a target using to offer valuable insight into target flexibility and interaction mechanisms. The SA-conf executable script, with a set of pre-compiled binaries are available at http://www.mti.univ-paris-diderot.fr/recherche/plateformes/logiciels.

  11. Exploring the potential of a structural alphabet-based tool for mining multiple target conformations and target flexibility insight

    PubMed Central

    Chéron, Jean-Baptiste; Triki, Dhoha; Senac, Caroline; Flatters, Delphine; Camproux, Anne-Claude

    2017-01-01

    Protein flexibility is often implied in binding with different partners and is essential for protein function. The growing number of macromolecular structures in the Protein Data Bank entries and their redundancy has become a major source of structural knowledge of the protein universe. The analysis of structural variability through available redundant structures of a target, called multiple target conformations (MTC), obtained using experimental or modeling methods and under different biological conditions or different sources is one way to explore protein flexibility. This analysis is essential to improve the understanding of various mechanisms associated with protein target function and flexibility. In this study, we explored structural variability of three biological targets by analyzing different MTC sets associated with these targets. To facilitate the study of these MTC sets, we have developed an efficient tool, SA-conf, dedicated to capturing and linking the amino acid and local structure variability and analyzing the target structural variability space. The advantage of SA-conf is that it could be applied to divers sets composed of MTCs available in the PDB obtained using NMR and crystallography or homology models. This tool could also be applied to analyze MTC sets obtained by dynamics approaches. Our results showed that SA-conf tool is effective to quantify the structural variability of a MTC set and to localize the structural variable positions and regions of the target. By selecting adapted MTC subsets and comparing their variability detected by SA-conf, we highlighted different sources of target flexibility such as induced by binding partner, by mutation and intrinsic flexibility. Our results support the interest to mine available structures associated with a target using to offer valuable insight into target flexibility and interaction mechanisms. The SA-conf executable script, with a set of pre-compiled binaries are available at http

  12. Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex.

    PubMed

    Hoffmann, A; Herres-Pawlis, S

    2016-03-07

    The conformers of the real-life tyrosinase model [Cu2O2{HC(3-tBuPz)2(Py)}2](2+) which displays catalytic hydroxylation reactivity were investigated by density functional theory (DFT) studies including second-order perturbation theory and charge decomposition analysis (CDA). We elucidated the donor competition between pyrazolyl and pyridinyl moieties and found that pyrazolyl units are the stronger donors in bis(pyrazolyl)pyridinylmethane copper complexes. Geometry optimisations and TD-DFT calculations on all conformers proved to be robust in the prediction of the experimental data: the XAS distances and both charge-transfer bands are well reproduced. The CDA analyses gave insights into the electronic structure of the real-life peroxo dicopper species. The donor interplay as well as the multitude of interactions within two prototypical conformers have now been dissected in detail for the first time for a catalytic real-life system without simplifications. We find that the N donor interactions to the core are extremely stabilising and that in the conformer with both pyrazolyl units in equatorial position, these interactions are more stabilising than the axial ones. In the conformer with pyridinyl/pyrazolyl equator, the picture is more mixed but the general trend keeps consistent. We relate the extraordinary catalytic activity of the [Cu2O2{HC(3-tBuPz)2(Py)}2](2+) system to the subtle interplay of the different donor moieties.

  13. Method of Making Large Area Nanostructures

    NASA Technical Reports Server (NTRS)

    Marks, Alvin M.

    1995-01-01

    A method which enables the high speed formation of nanostructures on large area surfaces is described. The method uses a super sub-micron beam writer (Supersebter). The Supersebter uses a large area multi-electrode (Spindt type emitter source) to produce multiple electron beams simultaneously scanned to form a pattern on a surface in an electron beam writer. A 100,000 x 100,000 array of electron point sources, demagnified in a long electron beam writer to simultaneously produce 10 billion nano-patterns on a 1 meter squared surface by multi-electron beam impact on a 1 cm squared surface of an insulating material is proposed.

  14. Conformational Flexibility in the Flap Domains of Ligand-Free HIV Protease

    SciTech Connect

    Heaslet, H.; Rosenfeld, R.; Giffin, M.; Lin, Y.-C.; Tam, K.; Torbett, B.E.; Elder, J.H.; Stout, C.D.

    2009-06-01

    The crystal structures of wild-type HIV protease (HIV PR) in the absence of substrate or inhibitor in two related crystal forms at 1.4 and 2.15 {angstrom} resolution are reported. In one crystal form HIV PR adopts an 'open' conformation with a 7.7 {angstrom} separation between the tips of the flaps in the homodimer. In the other crystal form the tips of the flaps are 'curled' towards the 80s loop, forming contacts across the local twofold axis. The 2.3 {angstrom} resolution crystal structure of a sixfold mutant of HIV PR in the absence of substrate or inhibitor is also reported. The mutant HIV PR, which evolved in response to treatment with the potent inhibitor TL-3, contains six point mutations relative to the wild-type enzyme (L24I, M46I, F53L, L63P, V77I, V82A). In this structure the flaps also adopt a 'curled' conformation, but are separated and not in contact. Comparison of the apo structures to those with TL-3 bound demonstrates the extent of conformational change induced by inhibitor binding, which includes reorganization of the packing between twofold-related flaps. Further comparison with six other apo HIV PR structures reveals that the 'open' and 'curled' conformations define two distinct families in HIV PR. These conformational states include hinge motion of residues at either end of the flaps, opening and closing the entire {beta}-loop, and translational motion of the flap normal to the dimer twofold axis and relative to the 80s loop. The alternate conformations also entail changes in the {beta}-turn at the tip of the flap. These observations provide insight into the plasticity of the flap domains, the nature of their motions and their critical role in binding substrates and inhibitors.

  15. Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

    PubMed Central

    Amos, Sarah-Beth T. A.; Vermeer, Louic S.; Ferguson, Philip M.; Kozlowska, Justyna; Davy, Matthew; Bui, Tam T.; Drake, Alex F.; Lorenz, Christian D.; Mason, A. James

    2016-01-01

    The interaction of antimicrobial peptides (AMPs) with the inner membrane of Gram-negative bacteria is a key determinant of their abilities to exert diverse bactericidal effects. Here we present a molecular level understanding of the initial target membrane interaction for two cationic α-helical AMPs that share structural similarities but have a ten-fold difference in antibacterial potency towards Gram-negative bacteria. The binding and insertion from solution of pleurocidin or magainin 2 to membranes representing the inner membrane of Gram-negative bacteria, comprising a mixture of 128 anionic and 384 zwitterionic lipids, is monitored over 100 ns in all atom molecular dynamics simulations. The effects of the membrane interaction on both the peptide and lipid constituents are considered and compared with new and published experimental data obtained in the steady state. While both magainin 2 and pleurocidin are capable of disrupting bacterial membranes, the greater potency of pleurocidin is linked to its ability to penetrate within the bacterial cell. We show that pleurocidin displays much greater conformational flexibility when compared with magainin 2, resists self-association at the membrane surface and penetrates further into the hydrophobic core of the lipid bilayer. Conformational flexibility is therefore revealed as a key feature required of apparently α-helical cationic AMPs for enhanced antibacterial potency. PMID:27874065

  16. Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes

    NASA Astrophysics Data System (ADS)

    Amos, Sarah-Beth T. A.; Vermeer, Louic S.; Ferguson, Philip M.; Kozlowska, Justyna; Davy, Matthew; Bui, Tam T.; Drake, Alex F.; Lorenz, Christian D.; Mason, A. James

    2016-11-01

    The interaction of antimicrobial peptides (AMPs) with the inner membrane of Gram-negative bacteria is a key determinant of their abilities to exert diverse bactericidal effects. Here we present a molecular level understanding of the initial target membrane interaction for two cationic α-helical AMPs that share structural similarities but have a ten-fold difference in antibacterial potency towards Gram-negative bacteria. The binding and insertion from solution of pleurocidin or magainin 2 to membranes representing the inner membrane of Gram-negative bacteria, comprising a mixture of 128 anionic and 384 zwitterionic lipids, is monitored over 100 ns in all atom molecular dynamics simulations. The effects of the membrane interaction on both the peptide and lipid constituents are considered and compared with new and published experimental data obtained in the steady state. While both magainin 2 and pleurocidin are capable of disrupting bacterial membranes, the greater potency of pleurocidin is linked to its ability to penetrate within the bacterial cell. We show that pleurocidin displays much greater conformational flexibility when compared with magainin 2, resists self-association at the membrane surface and penetrates further into the hydrophobic core of the lipid bilayer. Conformational flexibility is therefore revealed as a key feature required of apparently α-helical cationic AMPs for enhanced antibacterial potency.

  17. Conformational Changes and Flexibility of DNA Devices Observed by Small-Angle X-ray Scattering.

    PubMed

    Bruetzel, Linda K; Gerling, Thomas; Sedlak, Steffen M; Walker, Philipp U; Zheng, Wenjun; Dietz, Hendrik; Lipfert, Jan

    2016-08-10

    Self-assembled DNA origami nanostructures enable the creation of precisely defined shapes at the molecular scale. Dynamic DNA devices that are capable of switching between defined conformations could afford completely novel functionalities for diagnostic, therapeutic, or engineering applications. Developing such objects benefits strongly from experimental feedback about conformational changes and 3D structures, ideally in solution, free of potential biases from surface attachment or labeling. Here, we demonstrate that small-angle X-ray scattering (SAXS) can quantitatively resolve the conformational changes of a DNA origami two-state switch device as a function of the ionic strength of the solution. In addition, we show how SAXS data allow for refinement of the predicted idealized three-dimensional structure of the DNA object using a normal mode approach based on an elastic network model. The results reveal deviations from the idealized design geometries that are otherwise difficult to resolve. Our results establish SAXS as a powerful tool to investigate conformational changes and solution structures of DNA origami and we anticipate our methodology to be broadly applicable to increasingly complex DNA and RNA devices.

  18. Conformational Flexibility of Soluble Cellulose Oligomers: Chain Length and Temperature Dependence

    USDA-ARS?s Scientific Manuscript database

    Structures, dynamics, and stabilities of different sized cellulosic oligomers need to be considered when designing enzymatic cocktails for the conversion of biomass to biofuels since they can be both productive substrates and inhibitors of the overall process. In the present work, the conformational...

  19. Large area space solar cell assemblies

    NASA Technical Reports Server (NTRS)

    Spitzer, M. B.; Nowlan, M. J.

    1982-01-01

    Development of a large area space solar cell assembly is presented. The assembly consists of an ion implanted silicon cell and glass cover. The important attributes of fabrication are (1) use of a back surface field which is compatible with a back surface reflector, and (2) integration of coverglass application and call fabrication.

  20. Large area monolithic organic solar cells

    NASA Astrophysics Data System (ADS)

    Jin, Hui; Tao, Cheng; Hambsch, Mike; Pivrikas, Almantas; Velusamy, Marappan; Aljada, Muhsen; Zhang, Yuliang; Burn, Paul L.; Meredith, Paul

    2012-11-01

    Although efficiencies of > 10% have recently been achieved in laboratory-scale organic solar cells, these competitive performance figures are yet to be translated to large active areas and geometries relevant for viable manufacturing. One of the factors hindering scale-up is a lack of knowledge of device physics at the sub-module level, particularly cell architecture, electrode geometry and current collection pathways. A more in depth understanding of how photocurrent and photovoltage extraction can be optimised over large active areas is urgently needed. Another key factor suppressing conversion efficiencies in large area cells is the relatively high sheet resistance of the transparent conducting anode - typically indium tin oxide. Hence, to replace ITO with alternative transparent conducting anodes is also a high priority on the pathway to viable module-level organic solar cells. In our paper we will focus on large area devices relevant to sub-module scales - 5 cm × 5 cm monolithic geometry. We have applied a range of experimental techniques to create a more comprehensive understanding of the true device physics that could help make large area, monolithic organic solar cells more viable. By employing this knowledge, a novel transparent anode consisting of molybdenum oxide (MoOx) and silver (Ag) is developed to replace ITO and PEDOT-free large area solar cell sub-modules, acting as both a transparent window and hole-collecting electrode. The proposed architecture and anode materials are well suited to high throughput, low cost all-solution processing.

  1. The Large Area Crop Inventory Experiment (LACIE)

    NASA Technical Reports Server (NTRS)

    Macdonald, R. B.

    1976-01-01

    A Large Area Crop Inventory Experiment (LACIE) was undertaken to prove out an economically important application of remote sensing from space. The experiment focused upon determination of wheat acreages in the U.S. Great Plains and upon the development and testing of yield models. The results and conclusions are presented.

  2. STATUS OF THE GLAST LARGE AREA TELESCOPE

    SciTech Connect

    Dubois, R

    2003-12-05

    The GLAST Large Area telescope is a modular 4 x 4 tower pair conversion telescope with field of view greater than 2 steradians and energy coverage from 20 MeV to 300 GeV. The observatory is scheduled for launch in September 2006. A status of the instrument construction is presented here.

  3. Conformer-specific vibronic spectroscopy and vibronic coupling in a flexible bichromophore: Bis-(4-hydroxyphenyl)methane

    NASA Astrophysics Data System (ADS)

    Rodrigo, Chirantha P.; Müller, Christian W.; Pillsbury, Nathan R.; James, William H.; Plusquellic, David F.; Zwier, Timothy S.

    2011-04-01

    The vibronic spectroscopy of jet-cooled bis-(4-hydroxyphenyl)methane has been explored using fluorescence excitation, dispersed fluorescence (DFL), UV-UV hole-burning, UV depletion, and fluorescence-dip infrared spectroscopies. Calculations predict the presence of three nearly isoenergetic conformers that differ in the orientations of the two OH groups in the para positions on the two aromatic rings (labeled uu, dd, and ud). In practice, two conformers (labeled A and B) are observed, with S0-S1 origins at 35 184 and 35 209 cm-1, respectively. The two conformers have nearly identical vibronic spectra and hydride stretch infrared spectra. The low-frequency vibronic structure is assigned to bands involving the phenyl torsions (T and bar T), ring-flapping (R and bar R), and butterfly (β) modes. Symmetry arguments lead to a tentative assignment of the two conformers as the C2 symmetric uu and dd conformers. The S0-S2 origins are assigned to bands located 132 cm-1 above the S0-S1 origins of both conformers. DFL spectra from the S2 origin of the two conformers display extensive evidence for vibronic coupling between the two close-lying electronic states. Near-resonant coupling from the S2 origin occurs dominantly to S1 bar R^1 and S1 bar R^1 β ^1 levels, which are located -15 and +31 cm-1 from it. Unusual vibronic activity in the ring-breathing (ν1) and ring-deformation (ν6a) modes is also attributed to vibronic coupling involving these Franck-Condon active modes. A multimode vibronic coupling model is developed based on earlier theoretical descriptions of molecular dimers [Fulton and Gouterman, J. Chem. Phys. 35, 1059 (1961)] and applied here to flexible bichromophores. The model is able to account for the ring-mode activity under conditions in which the S2 origin is strongly mixed (60%/40%) with S1 overline {6a} ^1 and bar 1^1 levels. The direct extension of this model to the T /bar T and R /bar R inter-ring mode pairs is only partially successful and required some

  4. Peptide Conformer Acidity Analysis of Protein Flexibility Monitored by Hydrogen Exchange†

    PubMed Central

    2009-01-01

    The amide hydrogens that are exposed to solvent in the high-resolution X-ray structures of ubiquitin, FK506-binding protein, chymotrypsin inhibitor 2, and rubredoxin span a billion-fold range in hydroxide-catalyzed exchange rates which are predictable by continuum dielectric methods. To facilitate analysis of transiently accessible amides, the hydroxide-catalyzed rate constants for every backbone amide of ubiquitin were determined under near physiological conditions. With the previously reported NMR-restrained molecular dynamics ensembles of ubiquitin (PDB codes 2NR2 and 2K39) used as representations of the Boltzmann-weighted conformational distribution, nearly all of the exchange rates for the highly exposed amides were more accurately predicted than by use of the high-resolution X-ray structure. More strikingly, predictions for the amide hydrogens of the NMR relaxation-restrained ensemble that become exposed to solvent in more than one but less than half of the 144 protein conformations in this ensemble were almost as accurate. In marked contrast, the exchange rates for many of the analogous amides in the residual dipolar coupling-restrained ubiquitin ensemble are substantially overestimated, as was particularly evident for the Ile 44 to Lys 48 segment which constitutes the primary interaction site for the proteasome targeting enzymes involved in polyubiquitylation. For both ensembles, “excited state” conformers in this active site region having markedly elevated peptide acidities are represented at a population level that is 102 to 103 above what can exist in the Boltzmann distribution of protein conformations. These results indicate how a chemically consistent interpretation of amide hydrogen exchange can provide insight into both the population and the detailed structure of transient protein conformations. PMID:19722680

  5. Maximum occurrence analysis of protein conformations for different distributions of paramagnetic metal ions within flexible two-domain proteins.

    PubMed

    Luchinat, Claudio; Nagulapalli, Malini; Parigi, Giacomo; Sgheri, Luca

    2012-02-01

    Multidomain proteins are composed of rigid domains connected by (flexible) linkers. Therefore, the domains may experience a large degree of reciprocal reorientation. Pseudocontact shifts and residual dipolar couplings arising from one or more paramagnetic metals successively placed in a single metal binding site in the protein can be used as restraints to assess the degree of mobility of the different domains. They can be used to determine the maximum occurrence (MO) of each possible protein conformation, i.e. the maximum weight that such conformations can have independently of the real structural ensemble, in agreement with the provided restraints. In the case of two-domain proteins, the metal ions can be placed all in the same domain, or distributed between the two domains. It has been demonstrated that the quantity of independent information for the characterization of the system is larger when all metals are bound in the same domain. At the same time, it has been shown that there are practical advantages in placing the metals in different domains. Here, it is shown that distributing the metals between the domains provides a tool for defining a coefficient of compatibility among the restraints obtained from different metals, without a significant decrease of the capability of the MO values to discriminate among conformations with different weights.

  6. Conformational Flexibility and pH Effects on Anisotropic Growth of Sheet-Like Assembly of Amphiphilic Peptides.

    PubMed

    Huang, Hongzhou; Ganguly, Debabani; Chen, Jianhan; Sun, Xiuzhi S

    2015-06-01

    Peptide-based biomaterials have many potential applications in tissue engineering, drug delivery, surface engineering, and other areas. In this study, we exploited a series of amphiphilic diblock model peptides (L5K10, L5GSIIK10, and L5P(D)PK10) to understand how the supramolecular assembly morphology may be modulated by the physical properties of the peptide monomer and experimental conditions. A combination of experimentation and simulation revealed that although all three peptides lack stable structures as monomers, their levels of conformational heterogeneity differ significantly. Importantly, such differences appear to be correlated with the peptides' ability to form sheet-like assemblies. In particular, substantial conformational heterogeneity appears to be required for anisotropic growth of sheet-like materials, likely by reducing the peptide assembly kinetics. To test this hypothesis, we increased the pH to neutralize the lysine residues and promote peptide aggregation, and the resulting faster assembly rate hindered the growth of the sheet morphology as predicted. In addition, we designed and investigated the assembly morphologies of a series of diblock peptides with various lengths of polyglycine inserts, L5GxK10, x = 1, 2, 3, 4. The results further supported the importance of peptide conformational flexibility and pH in modulation of the peptide supramolecular assembly morphology.

  7. Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6

    SciTech Connect

    Chen, Hui; Mustafi, Sourajit M.; LeMaster, David M.; Li, Zhong; Héroux, Annie; Li, Hongmin; Hernández, Griselda

    2014-03-01

    Two crystal forms of unligated FKBP12.6 exhibit multiple conformations in the active site and in the 80s loop, the primary site for known protein-recognition interactions. The previously unreported NMR backbone assignment of FKBP12.6 revealed extensive doubling of amide resonances, which reflects a slow conformational transition centered in the 80s loop. The primary known physiological function of FKBP12.6 involves its role in regulating the RyR2 isoform of ryanodine receptor Ca{sup 2+} channels in cardiac muscle, pancreatic β islets and the central nervous system. With only a single previously reported X-ray structure of FKBP12.6, bound to the immunosuppressant rapamycin, structural inferences for this protein have been drawn from the more extensive studies of the homologous FKBP12. X-ray structures at 1.70 and 1.90 Å resolution from P2{sub 1} and P3{sub 1}21 crystal forms are reported for an unligated cysteine-free variant of FKBP12.6 which exhibit a notable diversity of conformations. In one monomer from the P3{sub 1}21 crystal form, the aromatic ring of Phe59 at the base of the active site is rotated perpendicular to its typical orientation, generating a steric conflict for the immunosuppressant-binding mode. The peptide unit linking Gly89 and Val90 at the tip of the protein-recognition ‘80s loop’ is flipped in the P2{sub 1} crystal form. Unlike the >30 reported FKBP12 structures, the backbone conformation of this loop closely follows that of the first FKBP domain of FKBP51. The NMR resonances for 21 backbone amides of FKBP12.6 are doubled, corresponding to a slow conformational transition centered near the tip of the 80s loop, as recently reported for 31 amides of FKBP12. The comparative absence of doubling for residues along the opposite face of the active-site pocket in FKBP12.6 may in part reflect attenuated structural coupling owing to increased conformational plasticity around the Phe59 ring.

  8. Triaspartate: a model system for conformationally flexible DDD motifs in proteins.

    PubMed

    Duitch, Laura; Toal, Siobhan; Measey, Thomas J; Schweitzer-Stenner, Reinhard

    2012-05-03

    Understanding the interactions that govern turn formation in the unfolded state of proteins is necessary for a complete picture of the role that these turns play in both normal protein folding and functionally relevant yet disordered linear motifs. It is still unclear, however, whether short peptides can adopt stable turn structures in aqueous environments in the absence of any nonlocal interactions. To explore the effect that nearest-neighbor interactions and the local peptide environment have on the turn-forming capability of individual amino acid residues in short peptides, we combined vibrational (IR, Raman, and VCD), UV-CD, and (1)H NMR spectroscopies in order to probe the conformational ensemble of the central aspartic acid residue of the triaspartate peptide (DDD). The study was motivated by the recently discovered turn propensities of aspartic acid in GDG (Hagarman; et al. Chem.-Eur. J. 2011, 17, 6789). We investigated the DDD peptide under both acidic and neutral conditions in order to elucidate the effect that side-chain protonation has on the conformational propensity of the central aspartic acid residue. Amide I' profiles were analyzed in terms of two-dimensional Gaussian distributions representing conformational subdistributions in Ramachandran space. Interestingly, our results show that while the protonated form of the DDD peptide samples various turn-like conformations similar to GDG, deprotonation of the peptide eliminates this propensity for turns, causing the fully ionized peptide to exclusively sample pPII and β-strand-like structures. To further explore the factors stabilizing these more extended conformations in fully ionized DDD, we analyzed the temperature dependence of both the UV-CD spectrum and the (3)J(H(N),H(α)) coupling constants of the two amide protons (N- and C-terminal) in terms of a simple two-state (pPII-β) thermodynamic model. Thus, we were able to obtain the enthalpic and entropic differences between the pPII and

  9. Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6

    PubMed Central

    Chen, Hui; Mustafi, Sourajit M.; LeMaster, David M.; Li, Zhong; Héroux, Annie; Li, Hongmin; Hernández, Griselda

    2014-01-01

    The primary known physiological function of FKBP12.6 involves its role in regulating the RyR2 isoform of ryanodine receptor Ca2+ channels in cardiac muscle, pancreatic β islets and the central nervous system. With only a single previously reported X-ray structure of FKBP12.6, bound to the immunosuppressant rapamycin, structural inferences for this protein have been drawn from the more extensive studies of the homologous FKBP12. X-ray structures at 1.70 and 1.90 Å resolution from P21 and P3121 crystal forms are reported for an unligated cysteine-free variant of FKBP12.6 which exhibit a notable diversity of conformations. In one monomer from the P3121 crystal form, the aromatic ring of Phe59 at the base of the active site is rotated perpendicular to its typical orientation, generating a steric conflict for the immunosuppressant-binding mode. The peptide unit linking Gly89 and Val90 at the tip of the protein-recognition ‘80s loop’ is flipped in the P21 crystal form. Unlike the >30 reported FKBP12 structures, the backbone conformation of this loop closely follows that of the first FKBP domain of FKBP51. The NMR resonances for 21 backbone amides of FKBP12.6 are doubled, corresponding to a slow conformational transition centered near the tip of the 80s loop, as recently reported for 31 amides of FKBP12. The comparative absence of doubling for residues along the opposite face of the active-site pocket in FKBP12.6 may in part reflect attenuated structural coupling owing to increased conformational plasticity around the Phe59 ring. PMID:24598733

  10. Photo-induced conformational flexibility in single solution-phase peridinin-chlorophyll-proteins.

    PubMed

    Bockenhauer, Samuel D; Moerner, W E

    2013-09-05

    The peridinin-chlorophyll-protein (PCP) is an accessory light-harvesting complex found in red-tide dinoflagellates. PCP absorbs photons primarily in the blue-green spectral region via peridinin (Per) carotenoid pigments which then transfer excitations to chlorophyll (Chl) and ultimately downstream to photosystem II (PSII). Whereas the ultrafast dynamics of PCP are well-studied, much less is known about slower protein dynamics on time scales of milliseconds and seconds. Previous single-molecule studies of spectral emission and intensity have attached PCP to surfaces, but the native environment of PCP is in the lumen, meaning that a surface-attached environment could perturb its native conformations. To address this concern, we use the anti-Brownian electrokinetic (ABEL) trap to study single PCP monomers in solution for several seconds each. We measure, for the first time, simultaneous single-molecule intensity, lifetime, and spectral emission shifts for each trapped PCP monomer. The rate of reversible spectral redshifts depends linearly on irradiance over a factor of 30, indicating a light-induced mechanism which we attribute to a protein conformational change. Independent of these spectral shifts, our measurements of intensity and lifetime show reversible Chl quenching. In contrast to previous work, we show that this quenching cannot result from isolated photobleaching of Chl. These independent mechanisms arise from distinct conformational changes which maintain relatively stable fluorescence emission.

  11. GLAST Large Area Telescope Multiwavelength Planning

    NASA Technical Reports Server (NTRS)

    Reimer, O.; Michelson, P. F.; Cameron, R. A.; Digel, S. W.; Thompson, D. J.; Wood, K. S.

    2007-01-01

    Gamma-ray astrophysics depends in many ways on multiwavelength studies. The Gamma-ray Large Area Space Telescope (GLAST) Large Area Telescope (LAT) Collaboration has started multiwavelength planning well before the scheduled 2007 launch of the observatory. Some of the high-priority multiwavelength needs include: (1) availability of contemporaneous radio and X-ray timing of pulsars; (2) expansion of blazar catalogs, including redshift measurements; (3) improved observations of molecular clouds, especially at high galactic latitudes; (4) simultaneous broad-spectrum blazar monitoring; (5) characterization of gamma-ray transients, including gamma ray bursts; (6) radio, optical, X-ray and TeV counterpart searches for reliable and effective sources identification and characterization. Several of these activities are needed to be in place before launch.

  12. GLAST Large Area Telescope Multiwavelength Planning

    SciTech Connect

    Reimer, O.; Michelson, P.F.; Cameron, R.A.; Digel, S.W.; Thompson, D.J.; Wood, K.S.

    2007-01-03

    Gamma-ray astrophysics depends in many ways on multiwavelength studies. The Gamma-ray Large Area Space Telescope (GLAST) Large Area Telescope (LAT) Collaboration has started multiwavelength planning well before the scheduled 2007 launch of the observatory. Some of the high-priority multiwavelength needs include: (1) availability of contemporaneous radio and X-ray timing of pulsars; (2) expansion of blazar catalogs, including redshift measurements; (3) improved observations of molecular clouds, especially at high galactic latitudes; (4) simultaneous broad-band blazar monitoring; (5) characterization of gamma-ray transients, including gamma ray bursts; (6) radio, optical, X-ray and TeV counterpart searches for reliable and effective sources identification and characterization. Several of these activities are needed to be in place before launch.

  13. Large area damage testing of optics

    SciTech Connect

    Sheehan, L.; Kozlowski, M.; Stolz, C.

    1996-04-26

    The damage threshold specifications for the National Ignition Facility will include a mixture of standard small-area tests and new large-area tests. During our studies of laser damage and conditioning processes of various materials we have found that some damage morphologies are fairly small and this damage does not grow with further illumination. This type of damage might not be detrimental to the laser performance. We should therefore assume that some damage can be allowed on the optics, but decide on a maximum damage allowance of damage. A new specification of damage threshold termed {open_quotes}functional damage threshold{close_quotes} was derived. Further correlation of damage size and type to system performance must be determined in order to use this measurement, but it is clear that it will be a large factor in the optics performance specifications. Large-area tests have verified that small-area testing is not always sufficient when the optic in question has defect-initiated damage. This was evident for example on sputtered polarizer and mirror coatings where the defect density was low enough that the features could be missed by standard small- area testing. For some materials, the scale-length at which damage non-uniformities occur will effect the comparison of small-area and large-area tests. An example of this was the sub-aperture tests on KD*P crystals on the Beamlet test station. The tests verified the large-area damage threshold to be similar to that found when testing a small-area. Implying that for this KD*P material, the dominate damage mechanism is of sufficiently small scale-length that small-area testing is capable of determining the threshold. The Beamlet test station experiments also demonstrated the use of on-line laser conditioning to increase the crystals damage threshold.

  14. Large area silicon sheet by EFG

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Recent advances toward silicon growth stations and improved electronic quality of multiplesilicon are discussed. These advances were made in large measure by studies in which the composition of the gas environment around the meniscus area was varied. By introducing gases such as CO2, CO, and CH4 into this region, reproducible increases in diffusion length and cell performance were realized, with the best large area (5 cm x 10 cm) cells exceeding 11% efficiency.

  15. MeerKAT Large Area Survey

    NASA Astrophysics Data System (ADS)

    Leeuw, Lerothodi

    2017-01-01

    We present the goals and strategies for a large area MeerKAT survey, that is expected to be proposed under the MeerKAT open time call. The survey will be at least 400 square degrees, detect galaxies up to high redshift and cover various science interests that will exploit synergies with complementary data at other wavebands. For as high impact and legacy value as possible, the survey is open to synergies from the community.

  16. Large-area thin-film modules

    NASA Technical Reports Server (NTRS)

    Tyan, Y. S.; Perez-Albuerne, E. A.

    1985-01-01

    The low cost potential of thin film solar cells can only be fully realized if large area modules can be made economically with good production yields. This paper deals with two of the critical challenges. A scheme is presented which allows the simple, economical realization of the long recognized, preferred module structure of monolithic integration. Another scheme reduces the impact of shorting defects and, as a result, increases the production yields. Analytical results demonstrating the utilization and advantages of such schemes are discussed.

  17. Large-area thin-film modules

    NASA Astrophysics Data System (ADS)

    Tyan, Y. S.; Perez-Albuerne, E. A.

    1985-10-01

    The low cost potential of thin film solar cells can only be fully realized if large area modules can be made economically with good production yields. This paper deals with two of the critical challenges. A scheme is presented which allows the simple, economical realization of the long recognized, preferred module structure of monolithic integration. Another scheme reduces the impact of shorting defects and, as a result, increases the production yields. Analytical results demonstrating the utilization and advantages of such schemes are discussed.

  18. Large area periodic ferromagnetic nanowires deposited onto a polymer substrate

    NASA Astrophysics Data System (ADS)

    Zighem, F.; Faurie, D.; Belmeguenai, M.; Garcia-Sanchez, A.; Lupo, P.; Adeyeye, A. O.

    2017-07-01

    There are various challenges associated with the fabrication of highly ordered magnetic nanostructures on flexible substrates due to the compatibility with lithography and deposition techniques. In this article, we present a nanofabrication technique to synthesize a large area (5 × 5 mm2) of ferromagnetic nanowires on top of a polymer substrate (Kapton®) using interference lithography and sputtering processes. We have systematically characterized their static and dynamic magnetic behaviors using magneto-optical Kerr magnetometry and broadband ferromagnetic resonance spectroscopy. To evaluate the quality of our approach, we also deposited an identical array of nanowires on Silicon substrates for comparison. The nanowires deposited on the two substrates display similar static and dynamic properties, including the identical magnetization reversal process, number of resonance modes, and comparable damping parameters. The results suggest the good quality of our nanowires and their suitability in future flexible spintronic devices.

  19. Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical membrane proteins.

    PubMed

    Ahmad, Shandar; Singh, Yumlembam Hemajit; Paudel, Yogesh; Mori, Takaharu; Sugita, Yuji; Mizuguchi, Kenji

    2010-10-27

    Many structural properties such as solvent accessibility, dihedral angles and helix-helix contacts can be assigned to each residue in a membrane protein. Independent studies exist on the analysis and sequence-based prediction of some of these so-called one-dimensional features. However, there is little explanation of why certain residues are predicted in a wrong structural class or with large errors in the absolute values of these features. On the other hand, membrane proteins undergo conformational changes to allow transport as well as ligand binding. These conformational changes often occur via residues that are inherently flexible and hence, predicting fluctuations in residue positions is of great significance. We performed a statistical analysis of common patterns among selected one-dimensional equilibrium structural features (ESFs) and developed a method for simultaneously predicting all of these features using an integrated system. Our results show that the prediction performance can be improved if multiple structural features are trained in an integrated model, compared to the current practice of developing individual models. In particular, the performance of the solvent accessibility and bend-angle prediction improved in this way. The well-performing bend-angle prediction can be used to predict helical positions with severe kinks at a modest success rate. Further, we showed that single-chain conformational dynamics, measured by B-factors derived from normal mode analysis, could be predicted from observed and predicted ESFs with good accuracy. A web server was developed (http://tardis.nibio.go.jp/netasa/htmone/) for predicting the one-dimensional ESFs from sequence information and analyzing the differences between the predicted and observed values of the ESFs. The prediction performance of the integrated model is significantly better than that of the models performing the task separately for each feature for the solvent accessibility and bend

  20. Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical membrane proteins

    PubMed Central

    2010-01-01

    Background Many structural properties such as solvent accessibility, dihedral angles and helix-helix contacts can be assigned to each residue in a membrane protein. Independent studies exist on the analysis and sequence-based prediction of some of these so-called one-dimensional features. However, there is little explanation of why certain residues are predicted in a wrong structural class or with large errors in the absolute values of these features. On the other hand, membrane proteins undergo conformational changes to allow transport as well as ligand binding. These conformational changes often occur via residues that are inherently flexible and hence, predicting fluctuations in residue positions is of great significance. Results We performed a statistical analysis of common patterns among selected one-dimensional equilibrium structural features (ESFs) and developed a method for simultaneously predicting all of these features using an integrated system. Our results show that the prediction performance can be improved if multiple structural features are trained in an integrated model, compared to the current practice of developing individual models. In particular, the performance of the solvent accessibility and bend-angle prediction improved in this way. The well-performing bend-angle prediction can be used to predict helical positions with severe kinks at a modest success rate. Further, we showed that single-chain conformational dynamics, measured by B-factors derived from normal mode analysis, could be predicted from observed and predicted ESFs with good accuracy. A web server was developed (http://tardis.nibio.go.jp/netasa/htmone/) for predicting the one-dimensional ESFs from sequence information and analyzing the differences between the predicted and observed values of the ESFs. Conclusions The prediction performance of the integrated model is significantly better than that of the models performing the task separately for each feature for the solvent

  1. Conformational Statistics of Semi-Flexible Macromolecular Chains with Internal Joints

    PubMed Central

    Zhou, Yu

    2010-01-01

    Fluctuations in the bending angles at internal irregularities of DNA and RNA (such as symmetric loops, bulges, and nicks/gaps) have been observed from various experiments. However, little effort has been made to computationally predict and explain the statistical behavior of semi-flexible chains with internal defects. In this paper, we describe the general structure of these macromolecular chains as inextensible elastic chains with one or more internal joints which have limited ranges of rotation, and propose a method to compute the probability density functions of the end-to-end pose of these macromolecular chains. Our method takes advantage of the operational properties of the non-commutative Fourier transform for the group of rigid-body motions in three-dimensional space, SE(3). Two representative types of joints, the hinge for planar rotation and the ball joint for spatial rotation, are discussed in detail. The proposed method applies to various stiffness models of semi-flexible chain-like macromolecules. Examples are calculated using the Kratky-Porod model with specified stiffness, angular fluctuation, and joint locations. Entropic effects associated with internal angular fluctuations of semi-flexible macromolecular chains with internal joints can be computed using this formulation. Our method also provides a potential tool to detect the existence of internal irregularities. PMID:21243113

  2. How different are structurally flexible and rigid binding sites? Sequence and structural features discriminating proteins that do and do not undergo conformational change upon ligand binding.

    PubMed

    Gunasekaran, Kannan; Nussinov, Ruth

    2007-01-05

    Proteins are dynamic molecules and often undergo conformational change upon ligand binding. It is widely accepted that flexible loop regions have a critical functional role in enzymes. Lack of consideration of binding site flexibility has led to failures in predicting protein functions and in successfully docking ligands with protein receptors. Here we address the question: which sequence and structural features distinguish the structurally flexible and rigid binding sites? We analyze high-resolution crystal structures of ligand bound (holo) and free (apo) forms of 41 proteins where no conformational change takes place upon ligand binding, 35 examples with moderate conformational change, and 22 cases where a large conformational change has been observed. We find that the number of residue-residue contacts observed per-residue (contact density) does not distinguish flexible and rigid binding sites, suggesting a role for specific interactions and amino acids in modulating the conformational changes. Examination of hydrogen bonding and hydrophobic interactions reveals that cases that do not undergo conformational change have high polar interactions constituting the binding pockets. Intriguingly, the large, aromatic amino acid tryptophan has a high propensity to occur at the binding sites of examples where a large conformational change has been noted. Further, in large conformational change examples, hydrophobic-hydrophobic, aromatic-aromatic, and hydrophobic-polar residue pair interactions are dominant. Further analysis of the Ramachandran dihedral angles (phi, psi) reveals that the residues adopting disallowed conformations are found in both rigid and flexible cases. More importantly, the binding site residues adopting disallowed conformations clustered narrowly into two specific regions of the L-Ala Ramachandran map. Examination of the dihedral angles changes upon ligand binding shows that the magnitude of phi, psi changes are in general minimal, although some large

  3. Laser spectroscopy of supersonic jet-cooled flexible molecules: Conformational preferences, spectral signatures, and method development

    NASA Astrophysics Data System (ADS)

    Shubert, Virgil Alvin

    The coupling of supersonic expansions with laser spectroscopy has been fruitfully applied toward gaining insight the conformational preferences and spectral signatures of molecules important to a variety of disciplines. In this vein, a variety of multi resonance methods were employed and/or developed. Studies of O-(2-acetamidoethyl)-N-acetyltyramine (OANAT) and the single chain analogs found the presence of two categories of structures: those having interchain amide-amide hydrogen bonding over the chromophore and those with non-interacting, independent chains. This result was counter the theoretical predictions that the interchain structures should be the only ones according to relative energies. Resolution to this paradox came once entropy corrections were made to obtain the free energies at the sample temperature and showed the population of independent chain structures is enhanced relative to the interchain structures at higher temperatures. Crown ethers (benzo-15-crown-5 ether and 4'-aminobenzo-15-crown-5 ether) and their singly and doubly complexed water clusters were also investigated. Some monohydrated crown ether water clusters were found to have the asymmetric water OH stretch split into multiplets due to a 3:1 Fermi resonance with aromatic CO stretches. Electronic origin shifts when coupled with theoretical methods proved especially diagnostic for making conformational assignments as the S0-S1 transitions were very sensitive to local conformation at the chromophore. The infrared region, notably the alkyl CH stretch, proved useful as blue-shifted CHO H-bonds characterized the region above 2930 cm-1 for the crown monomer due to the preference of uncomplexed crowns to buckle in on themselves, allowing different parts of the crown cycle to interact. Conversely, the water complexes lacked the alkyl CH stretch features indicative of CHO interactions. It was concluded that the complexation of water dramatically alters the conformational preferences of the crown

  4. Label-free fluorometric method for monitoring conformational flexibility of laccase based on a selective laccase sensor.

    PubMed

    Qiu, Suyan; Lin, Zhenyu; Zhou, Yaomin; Li, Ruili; Zhang, Jinyan; Zhang, Dawen; Luo, Linguang; Guo, Longhua; Qiu, Bin; Chen, Guonan

    2013-11-19

    A facile and selective fluorescence sensor for laccase determination has been proposed depending on the interaction between 3-azidocoumarin and trametes versicolor (Tv) laccase in this paper. The azido group of 3-azidocoumarin that is electron-rich α-nitrogen can directly interact with histidines that coordinate to three copper sites through hydrogen bonds and forms a new complex, which decreases the electron-donating ability of the azido group, leading to enhance the fluorescence intensity of the sensing system. Also, other common proteins have no significant interference for the proposed laccase sensor. Additionally, the proposed fluorescence sensor is extended to demonstrate the conformational flexibility of Tv laccase by the urea denaturant. A good consistency of the results obtained with the presented laccase sensor and CD spectra is performed. Furthermore, the relationship between the catalytic activity and the unfolding percentage of the unfolded Tv laccase through the proposed laccase sensor is also elucidated well.

  5. Synthesis and biological evaluation of flexible and conformationally constrained LpxC inhibitors.

    PubMed

    Löppenberg, Marius; Müller, Hannes; Pulina, Carla; Oddo, Alberto; Teese, Mark; Jose, Joachim; Holl, Ralph

    2013-09-28

    Inhibitors of the UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine deacetylase (LpxC) represent promising candidates for the development of antibiotics possessing a so far unexploited mechanism of action. In a chiral pool synthesis, starting from the D-mannose derived mannonolactone 4, conformationally constrained C-glycosidic as well as open chained hydroxamic acids with a defined stereochemistry were prepared. Diversity was introduced by performing C–C coupling reactions like the Sonogashira and Suzuki cross-coupling reactions. The biological evaluation of the synthesized compounds revealed that in the case of the C-glycosides a long, linear and rigid hydrophobic side chain is required for antibiotic activity against E. coli. The open chain derivatives show higher biological activity than the conformationally constrained C-glycosides. The morpholinomethyl substituted open chain derivative 43, being the most potent compound presented in this paper, inhibits LpxC with a Ki value of 0.35 μM and represents a promising lead structure.

  6. Conformational Flexibility and Peptide Interaction of the Translocation ATPase SecA

    SciTech Connect

    Zimmer, Jochen; Rapoport, Tom A.; Harvard-Med

    2010-09-21

    The SecA ATPase forms a functional complex with the protein-conducting SecY channel to translocate polypeptides across the bacterial cell membrane. SecA recognizes the translocation substrate and catalyzes its unidirectional movement through the SecY channel. The recent crystal structure of the Thermotoga maritima SecA-SecYEG complex shows the ATPase in a conformation where the nucleotide-binding domains (NBDs) have closed around a bound ADP-BeFx complex and SecA's polypeptide-binding clamp is shut. Here, we present the crystal structure of T. maritima SecA in isolation, determined in its ADP-bound form at 3.1 {angstrom} resolution. SecA alone has a drastically different conformation in which the nucleotide-binding pocket between NBD1 and NBD2 is open and the preprotein cross-linking domain has rotated away from both NBDs, thereby opening the polypeptide-binding clamp. To investigate how this clamp binds polypeptide substrates, we also determined a structure of Bacillus subtilis SecA in complex with a peptide at 2.5 {angstrom} resolution. This structure shows that the peptide augments the highly conserved {beta}-sheet at the back of the clamp. Taken together, these structures suggest a mechanism by which ATP hydrolysis can lead to polypeptide translocation.

  7. Conformational flexibility of loops of myosin enhances the global bias in the actin-myosin interaction landscape.

    PubMed

    Nie, Qing-Miao; Sasai, Masaki; Terada, Tomoki P

    2014-04-14

    A long-standing controversy on the mechanism of an actomyosin motor is the role of the Brownian motion of the myosin head in force generation. In order to shed light on this problem, we calculate free-energy landscapes of interaction between an actin filament and the head (S1) of myosin II by using a coarse-grained model of actomyosin. The results show that the free-energy landscape has a global gradient toward the strong-binding site on actin filament, which explains the biased Brownian motion of myosin S1 observed in a single-molecule experiment [Kitamura et al., Nature, 1999, 397, 129 and Biophysics, 2005, 1, 1]. The distinct global gradient in the landscape is brought about only when the conformation of loop 2 at the actin interface of myosin S1 is flexible. The conformational flexibility of loop 3 also contributes to the gradient in the landscape by compensating the role of loop 2. Though the structure of loop 2 is expanded in the weak-binding state, loop 2 shows the larger fluctuation of compaction and expansion due to the actin-myosin interactions as myosin S1 moves toward the strong-binding site on actin filament. Hence, the increase in the compaction-expansion fluctuation of loop 2, the stronger binding of myosin to actin, and the biased Brownian motion of myosin S1 are coupled with each other and should take place in a concurrent way. This predicted coupling should provide opportunities to further test the hypothesis of the biased Brownian motion in actomyosin.

  8. Conserved tertiary couplings stabilize elements in the PDZ fold, leading to characteristic patterns of domain conformational flexibility.

    PubMed

    Ho, Bosco K; Agard, David A

    2010-03-01

    Single-domain allostery has been postulated to occur through intramolecular pathways of signaling within a protein structure. We had previously investigated these pathways by introducing a local thermal perturbation and analyzed the anisotropic propagation of structural changes throughout the protein. Here, we develop an improved approach, the Rotamerically Induced Perturbation (RIP), that identifies strong couplings between residues by analyzing the pathways of heat-flow resulting from thermal excitation of rotameric rotations at individual residues. To explore the nature of these couplings, we calculate the complete coupling maps of 5 different PDZ domains. Although the PDZ domain is a well conserved structural fold that serves as a scaffold in many protein-protein complexes, different PDZ domains display unique patterns of conformational flexibility in response to ligand binding: some show a significant shift in a set of alpha-helices, while others do not. Analysis of the coupling maps suggests a simple relationship between the computed couplings and observed conformational flexibility. In domains where the alpha-helices are rigid, we find couplings of the alpha-helices to the body of the protein, whereas in domains having ligand-responsive alpha-helices, no couplings are found. This leads to a model where the alpha-helices are intrinsically dynamic but can be damped if sidechains interact at key tertiary contacts. These tertiary contacts correlate to high covariation contacts as identified by the statistical coupling analysis method. As these dynamic modules are exploited by various allosteric mechanisms, these tertiary contacts have been conserved by evolution.

  9. Combined approaches to flexible fitting and assessment in virus capsids undergoing conformational change☆

    PubMed Central

    Pandurangan, Arun Prasad; Shakeel, Shabih; Butcher, Sarah Jane; Topf, Maya

    2014-01-01

    Fitting of atomic components into electron cryo-microscopy (cryoEM) density maps is routinely used to understand the structure and function of macromolecular machines. Many fitting methods have been developed, but a standard protocol for successful fitting and assessment of fitted models has yet to be agreed upon among the experts in the field. Here, we created and tested a protocol that highlights important issues related to homology modelling, density map segmentation, rigid and flexible fitting, as well as the assessment of fits. As part of it, we use two different flexible fitting methods (Flex-EM and iMODfit) and demonstrate how combining the analysis of multiple fits and model assessment could result in an improved model. The protocol is applied to the case of the mature and empty capsids of Coxsackievirus A7 (CAV7) by flexibly fitting homology models into the corresponding cryoEM density maps at 8.2 and 6.1 Å resolution. As a result, and due to the improved homology models (derived from recently solved crystal structures of a close homolog – EV71 capsid – in mature and empty forms), the final models present an improvement over previously published models. In close agreement with the capsid expansion observed in the EV71 structures, the new CAV7 models reveal that the expansion is accompanied by ∼5° counterclockwise rotation of the asymmetric unit, predominantly contributed by the capsid protein VP1. The protocol could be applied not only to viral capsids but also to many other complexes characterised by a combination of atomic structure modelling and cryoEM density fitting. PMID:24333899

  10. Body conformal antennas for superficial hyperthermia: the impact of bending contact flexible microstrip applicators on their electromagnetic behavior.

    PubMed

    Correia, Davi; Kok, H Petra; de Greef, Martijn; Bel, Arjan; van Wieringen, Niek; Crezee, Johannes

    2009-12-01

    Hyperthermia is a powerful radiosensitizer for treatment of superficial tumors. This requires body conformal antennas with a power distribution as homogeneous as possible over the skin area. The contact flexible microstrip applicators (CFMA) operating at 434 MHz exist in several sizes, including the large size 3H and 5H. This paper investigates the behavior of the electromagnetic fields for the 3H and 5H CFMA in both flat and curved configurations, and the impact on performance parameters like the penetration depth (PD) and the effective heating depth (EHD). The underlying theory behind the electromagnetic behavior in curved situations is presented as well as numerical simulations of both flat and curved configurations. The results are compared to measurements of the electromagnetic field distributions in a cylindrical patient model. Due to their large size multimode solutions may exist, and our results confirm their existence. These multimode solutions affect both the power distribution and PD/EHD, with a dependence on applicator curvature. Therefore, the performance parameters like PD and EHD need to be carefully assessed when bending large size CFMA applicators to conform to the patient body. This conclusion also holds for other types of large size surface current applicators.

  11. Influence of Protein Flexibility and Peptide Conformation on Reactivity of Monoclonal Anti-Peptide Antibodies with a Protein α -helix

    NASA Astrophysics Data System (ADS)

    Fieser, Terry M.; Tainer, John A.; Geysen, H. Mario; Houghten, Richard A.; Lerner, Richard A.

    1987-12-01

    Monoclonal antibodies against an α -helical region of the iron-containing, oxygen-binding protein myohemerythrin were isolated following immunization of mice with either the whole protein or a peptide homolog of the helix. Three distinct epitopes within the myohemerythrin helix were identified. The individual residues within two of these epitopes that were essential for antibody binding were determined by measuring antibody binding to a set of peptides in which each amino acid of the epitope was replaced in turn by each of the other 19 amino acids. Hydrophilic residues that are exposed in the native conformation and buried, hydrophobic residues were both shown to be irreplaceable, suggesting their direct involvement in antibody binding. The influence of antigen conformation on antibody binding to these amphipathic epitopes was assessed by measuring the relative affinities of the antibodies for peptides, intact protein, and apoprotein. All of the antibodies bound to apoprotein better than to native protein, indicating that relaxation of the native structure by removal of the iron center increases antibody affinity for myohemerythrin. However, not all of the antibodies tested bound to peptides better than to protein, suggesting that increased antigen flexibility is not always sufficient to maximize antibody binding. Antibody binding to peptides appeared to also be influenced by the ability of the peptides to attain secondary structure at the epitopes, either alone or due to carrier influences.

  12. Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.

    PubMed

    Zhao, Baoyu; Gandhi, Sonu; Yuan, Cai; Luo, Zhipu; Li, Rui; Gårdsvoll, Henrik; de Lorenzi, Valentina; Sidenius, Nicolai; Huang, Mingdong; Ploug, Michael

    2015-03-27

    The urokinase-type plasminogen activator receptor (uPAR) is a multidomain glycolipid-anchored membrane protein, which facilitates extracellular matrix remodeling by focalizing plasminogen activation to cell surfaces via its high-affinity interaction with uPA. The modular assembly of its three LU (Ly6/uPAR-like) domains is inherently flexible and binding of uPA drives uPAR into its closed conformation, which presents the higher-affinity state for vitronectin thus providing an allosteric regulatory mechanism. Using a new class of epitope-mapped anti-uPAR monoclonal antibodies (mAbs), we now demonstrate that the reciprocal stabilization is indeed also possible. By surface plasmon resonance studies, we show that these mAbs and vitronectin have overlapping binding sites on uPAR and that they share Arg91 as hotspot residue in their binding interfaces. The crystal structure solved for one of these uPAR·mAb complexes at 3.0Å clearly shows that this mAb preselects the closed uPAR conformation with an empty but correctly assembled large hydrophobic binding cavity for uPA. Accordingly, these mAbs inhibit the uPAR-dependent lamellipodia formation and migration on vitronectin-coated matrices irrespective of the conformational status of uPAR and its occupancy with uPA. This is the first study to the best of our knowledge, showing that the dynamic assembly of the three LU domains in uPARwt can be driven toward the closed form by an external ligand, which is not engaging the hydrophobic uPA binding cavity. As this binding interface is also exploited by the somatomedin B domain of vitronectin, therefore, this relationship should be taken into consideration when exploring uPAR-dependent cell adhesion and migration in vitronectin-rich environments. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution.

    PubMed

    Miyata, Tatsuhiko; Hirata, Fumio

    2008-04-30

    We have developed an algorithm for sampling the conformational space of large flexible molecules in solution, which combines the molecular dynamics (MD) method and the three-dimensional reference interaction site model (3D-RISM) theory. The solvent-induced force acting on solute atoms was evaluated as the gradient of the solvation free energy with respect to the solute-atom coordinates. To enhance the computation speed, we have applied a multiple timestep algorithm based on the RESPA (Reversible System Propagator Algorithm) to the combined MD/3D-RISM method. By virtue of the algorithm, one can choose a longer timestep for renewing the solvent-induced force compared with that of the conformational update. To illustrate the present MD/3D-RISM simulation, we applied the method to a model of acetylacetone in aqueous solution. The multiple timestep algorithm succeeded in enhancing the computation speed by 3.4 times for this model case. Acetylacetone possesses an intramolecular hydrogen-bonding capability between the hydroxyl group and the carbonyl oxygen atom, and the molecule is significantly stabilized due to this hydrogen bond, especially in gas phase. The intramolecular hydrogen bond was kept intact during almost entire course of the MD simulation in gas phase, while in the aqueous solutions the bond is disrupted in a significant number of conformations. This result qualitatively agrees with the behavior on a free energy barrier lying upon the process for rotating a torsional degree of freedom of the hydroxyl group, where it is significantly reduced in aqueous solution by a cancellation between the electrostatic interaction and the solvation free energy.

  14. Supernova Remnants with Fermi Large Area Telescope

    NASA Astrophysics Data System (ADS)

    Caragiulo, M.; Di Venere, L.

    2017-03-01

    The Large Area Telescope (LAT), on-board the Fermi satellite, proved to be, after 8 years of data taking, an excellent instrument to detect and observe Supernova Remnants (SNRs) in a range of energies running from few hundred MeV up to few hundred GeV. It provides essential information on physical processes that occur at the source, involving both accelerated leptons and hadrons, in order to understand the mechanisms responsible for the primary Cosmic Ray (CR) acceleration. We show the latest results in the observation of Galactic SNRs by Fermi-LAT.

  15. Large area cold plasma applicator for decontamination

    NASA Astrophysics Data System (ADS)

    Konesky, G. A.

    2008-04-01

    Cold plasma applicators have been used in the Medical community for several years for uses ranging from hemostasis ("stop bleeding") to tumor removal. An added benefit of this technology is enhanced wound healing by the destruction of infectious microbial agents without damaging healthy tissue. The beam is typically one millimeter to less than a centimeter in diameter. This technology has been adapted and expanded to large area applicators of potentially a square meter or more. Decontamination applications include both biological and chemical agents, and assisting in the removal of radiological agents, with minimal or no damage to the contaminated substrate material. Linear and planar multiemitter array plasma applicator design and operation is discussed.

  16. High Efficiency Large Area Polysilicon Solar Cells

    NASA Technical Reports Server (NTRS)

    Johnson, S. M.; Winter, C.

    1985-01-01

    Large area (100 sq cm) polysilicon solar cells having efficiencies of up to 14.1% (100 mW/sq cm, 25 C) were fabricated and a detailed analysis was performed to identify the efficiency loss mechanisms. The 1-5 characteristics of the best cell were dominated by recombination in the quasi-neutral base due to the combination of minority carrier diffusion length and base resistivity. An analysis of the microstructural defects present in the material and their effect on the electrical properties is presented.

  17. Large Area X-Ray Spectroscopy Mission

    NASA Technical Reports Server (NTRS)

    Tananbaum, H.

    1997-01-01

    The Large Area X-ray Spectroscopy (LAXS) mission concept study continues to evolve strongly following the merging of the LAXS mission with the Next Generation X-ray Observatory (NGXO, PI: Nick White) into the re-named High Throughput X-ray Spectroscopy (HTXS) Mission. HTXS retains key elements of the LAXS proposal, including the use of multiple satellites for risk-reduction and cost savings. A key achievement of the program has been the recommendation by the Structure and Evolution of the Universe (SEUS) (April 1997) for a new start for the HTXS mission in the 2000-2004 timeframe.

  18. Dynamics, flexibility and ligand-induced conformational changes in biological macromolecules: a computational approach.

    PubMed

    Skjaerven, Lars; Reuter, Nathalie; Martinez, Aurora

    2011-12-01

    Biomolecules possess important dynamical properties that enable them to adapt and alternate their conformation as a response to environmental stimuli. Recent advancements in computational resources and methodology allow a higher capability to mimic in vitro conditions and open up the possibility of studying large systems over longer timescales. Here, we describe commonly used computational approaches for studying the dynamic properties of proteins. We review a selected set of simulation studies on ligand-induced changes in the chaperonin GroEL-GroES, a molecular folding machine, maltose-binding protein, a prototypical member of the periplasmic binding proteins, and the bacterial ribosomal A-site, focusing on aminoglycoside antibiotic recognition. We also discuss a recent quantitative reconstruction of the binding process of benzamidine and trypsin. These studies contribute to the understanding and further development of the medicinal regulation of large biomolecular systems.

  19. Three-dimensional conformal graphene microstructure for flexible and highly sensitive electronic skin.

    PubMed

    Yang, Jun; Ran, Qincui; Wei, Dapeng; Sun, Tai; Yu, Leyong; Song, Xuefen; Pu, Lichun; Shi, Haofei; Du, Chunlei

    2017-03-17

    We demonstrate a highly stretchable electronic skin (E-skin) based on the facile combination of microstructured graphene nanowalls (GNWs) and a polydimethylsiloxane (PDMS) substrate. The microstructure of the GNWs was endowed by conformally growing them on the unpolished silicon wafer without the aid of nanofabrication technology. Then a stamping transfer method was used to replicate the micropattern of the unpolished silicon wafer. Due to the large contact interface between the 3D graphene network and the PDMS, this type of E-skin worked under a stretching ratio of nearly 100%, and showed excellent mechanical strength and high sensitivity, with a change in relative resistance of up to 6500% and a gauge factor of 65.9 at 99.64% strain. Furthermore, the E-skin exhibited an obvious highly sensitive response to joint movement, eye movement and sound vibration, demonstrating broad potential applications in healthcare, body monitoring and wearable devices.

  20. Three-dimensional conformal graphene microstructure for flexible and highly sensitive electronic skin

    NASA Astrophysics Data System (ADS)

    Yang, Jun; Ran, Qincui; Wei, Dapeng; Sun, Tai; Yu, Leyong; Song, Xuefen; Pu, Lichun; Shi, Haofei; Du, Chunlei

    2017-03-01

    We demonstrate a highly stretchable electronic skin (E-skin) based on the facile combination of microstructured graphene nanowalls (GNWs) and a polydimethylsiloxane (PDMS) substrate. The microstructure of the GNWs was endowed by conformally growing them on the unpolished silicon wafer without the aid of nanofabrication technology. Then a stamping transfer method was used to replicate the micropattern of the unpolished silicon wafer. Due to the large contact interface between the 3D graphene network and the PDMS, this type of E-skin worked under a stretching ratio of nearly 100%, and showed excellent mechanical strength and high sensitivity, with a change in relative resistance of up to 6500% and a gauge factor of 65.9 at 99.64% strain. Furthermore, the E-skin exhibited an obvious highly sensitive response to joint movement, eye movement and sound vibration, demonstrating broad potential applications in healthcare, body monitoring and wearable devices.

  1. Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method

    NASA Astrophysics Data System (ADS)

    Stanković, B.; Ostojić, B. D.; Gruden, M.; Popović, A.; Đorđević, D. S.

    2016-09-01

    For all dimethylnaphthalenes (DMNs) the transition from a planar ring conformation to a nonplanar one results in energy increase in the range 1.7-2.4 kcal/mol. There is a linear relationship between averaged rigidity constant and relative energy of DMNs. The relative stability of DMNs does not follow the aromatic stabilization based on NICS values. The ETS-NOCV analysis shows that more efficient bonding in the π-electron system is the origin of enhanced stability in laterally substituted (CH3, Cl and NO2) naphthalenes. The results for Caryl-CH3 system indicate more steric repulsion in going from 2,7-DMN to 1,8-DMN following the increase of relative energies.

  2. β-Lactoglobulin's Conformational Requirements for Ligand Binding at the Calyx and the Dimer Interphase: a Flexible Docking Study

    PubMed Central

    Domínguez-Ramírez, Lenin; Del Moral-Ramírez, Elizabeth; Cortes-Hernández, Paulina; García-Garibay, Mariano; Jiménez-Guzmán, Judith

    2013-01-01

    β-lactoglobulin (BLG) is an abundant milk protein relevant for industry and biotechnology, due significantly to its ability to bind a wide range of polar and apolar ligands. While hydrophobic ligand sites are known, sites for hydrophilic ligands such as the prevalent milk sugar, lactose, remain undetermined. Through the use of molecular docking we first, analyzed the known fatty acid binding sites in order to dissect their atomistic determinants and second, predicted the interaction sites for lactose with monomeric and dimeric BLG. We validated our approach against BLG structures co-crystallized with ligands and report a computational setup with a reduced number of flexible residues that is able to reproduce experimental results with high precision. Blind dockings with and without flexible side chains on BLG showed that: i) 13 experimentally-determined ligands fit the calyx requiring minimal movement of up to 7 residues out of the 23 that constitute this binding site. ii) Lactose does not bind the calyx despite conformational flexibility, but binds the dimer interface and an alternate Site C. iii) Results point to a probable lactolation site in the BLG dimer interface, at K141, consistent with previous biochemical findings. In contrast, no accessible lysines are found near Site C. iv) lactose forms hydrogen bonds with residues from both monomers stabilizing the dimer through a claw-like structure. Overall, these results improve our understanding of BLG's binding sites, importantly narrowing down the calyx residues that control ligand binding. Moreover, our results emphasize the importance of the dimer interface as an insufficiently explored, biologically relevant binding site of particular importance for hydrophilic ligands. Furthermore our analyses suggest that BLG is a robust scaffold for multiple ligand-binding, suitable for protein design, and advance our molecular understanding of its ligand sites to a point that allows manipulation to control binding. PMID

  3. β-lactoglobulin's conformational requirements for ligand binding at the calyx and the dimer interphase: a flexible docking study.

    PubMed

    Domínguez-Ramírez, Lenin; Del Moral-Ramírez, Elizabeth; Cortes-Hernández, Paulina; García-Garibay, Mariano; Jiménez-Guzmán, Judith

    2013-01-01

    β-lactoglobulin (BLG) is an abundant milk protein relevant for industry and biotechnology, due significantly to its ability to bind a wide range of polar and apolar ligands. While hydrophobic ligand sites are known, sites for hydrophilic ligands such as the prevalent milk sugar, lactose, remain undetermined. Through the use of molecular docking we first, analyzed the known fatty acid binding sites in order to dissect their atomistic determinants and second, predicted the interaction sites for lactose with monomeric and dimeric BLG. We validated our approach against BLG structures co-crystallized with ligands and report a computational setup with a reduced number of flexible residues that is able to reproduce experimental results with high precision. Blind dockings with and without flexible side chains on BLG showed that: i) 13 experimentally-determined ligands fit the calyx requiring minimal movement of up to 7 residues out of the 23 that constitute this binding site. ii) Lactose does not bind the calyx despite conformational flexibility, but binds the dimer interface and an alternate Site C. iii) Results point to a probable lactolation site in the BLG dimer interface, at K141, consistent with previous biochemical findings. In contrast, no accessible lysines are found near Site C. iv) lactose forms hydrogen bonds with residues from both monomers stabilizing the dimer through a claw-like structure. Overall, these results improve our understanding of BLG's binding sites, importantly narrowing down the calyx residues that control ligand binding. Moreover, our results emphasize the importance of the dimer interface as an insufficiently explored, biologically relevant binding site of particular importance for hydrophilic ligands. Furthermore our analyses suggest that BLG is a robust scaffold for multiple ligand-binding, suitable for protein design, and advance our molecular understanding of its ligand sites to a point that allows manipulation to control binding.

  4. Molecular Origins of DNA Flexibility: Sequence Effects on Conformational and Mechanical Properties

    NASA Astrophysics Data System (ADS)

    Ortiz, Vanessa; de Pablo, Juan J.

    2011-06-01

    A central question in biophysics is whether DNA sequence affects its mechanical properties, which are thought to influence nucleosome positioning and gene expression. Previous attempts to answer this question have been hindered by an inability to resolve DNA structure and dynamics at the base-pair level. Here we use a model to measure the effects of sequence on the stability of DNA under bending. Sequence is shown to influence DNA’s flexibility and its ability to form kinks, which arise when certain motifs slide past others to form non-native contacts. A mechanism for nucleosome positioning is proposed in which sequence influences DNA-histone binding by altering the local base-pair-level structure when subject to the curvature necessary for binding.

  5. Substitutions in a flexible loop of horse liver alcohol dehydrogenase hinder the conformational change and unmask hydrogen transfer.

    PubMed

    Ramaswamy, S; Park, D H; Plapp, B V

    1999-10-19

    When horse liver alcohol dehydrogenase binds coenzyme, a rotation of about 10 degrees brings the catalytic domain closer to the coenzyme binding domain and closes the active site cleft. The conformational change requires that a flexible loop containing residues 293-298 in the coenzyme binding domain rearranges so that the coenzyme and some amino acid residues from the catalytic domain can be accommodated. The change appears to control the rate of dissociation of the coenzyme and to be necessary for installation of the proton relay system. In this study, directed mutagenesis produced the activated Gly293Ala/Pro295Thr enzyme. X-ray crystallography shows that the conformations of both free and complexed forms of the mutated enzyme and wild-type apoenzyme are very similar. Binding of NAD(+) and 2,2, 2-trifluoroethanol do not cause the conformational change, but the nicotinamide ribose moiety and alcohol are not in a fixed position. Although the Gly293Ala and Pro295Thr substitutions do not disturb the apoenzyme structure, molecular modeling shows that the new side chains cannot be accommodated in the closed native holoenzyme complex without steric alterations. The mutated enzyme may be active in the "open" conformation. The turnover numbers with ethanol and acetaldehyde increase 1.5- and 5.5-fold, respectively, and dissociation constants for coenzymes and other kinetic constants increase 40-2,000-fold compared to those of the native enzyme. Substrate deuterium isotope effects on the steady state V or V/K(m) parameters of 4-6 with ethanol or benzyl alcohol indicate that hydrogen transfer is a major rate-limiting step in catalysis. Steady state oxidation of benzyl alcohol is most rapid above a pK of about 9 for V and V/K(m) and is 2-fold faster in D(2)O than in H(2)O. The results are consistent with hydride transfer from a ground state zinc alkoxide that forms a low-barrier hydrogen bond with the hydroxyl group of Ser48.

  6. Cwp84, a Clostridium difficile cysteine protease, exhibits conformational flexibility in the absence of its propeptide

    SciTech Connect

    Bradshaw, William J.; Roberts, April K.; Shone, Clifford C.; Acharya, K. Ravi

    2015-02-19

    Two structures of Cwp84, a cysteine protease from the S-layer of C. difficile, are presented after propeptide cleavage. They reveal the movement of three loops, two in the active-site groove and one on the surface of the lectin-like domain, exposing a hydrophobic pocket. In recent decades, the global healthcare problems caused by Clostridium difficile have increased at an alarming rate. A greater understanding of this antibiotic-resistant bacterium, particularly with respect to how it interacts with the host, is required for the development of novel strategies for fighting C. difficile infections. The surface layer (S-layer) of C. difficile is likely to be of significant importance to host–pathogen interactions. The mature S-layer is formed by a proteinaceous array consisting of multiple copies of a high-molecular-weight and a low-molecular-weight S-layer protein. These components result from the cleavage of SlpA by Cwp84, a cysteine protease. The structure of a truncated Cwp84 active-site mutant has recently been reported and the key features have been identified, providing the first structural insights into the role of Cwp84 in the formation of the S-layer. Here, two structures of Cwp84 after propeptide cleavage are presented and the three conformational changes that are observed are discussed. These changes result in a reconfiguration of the active site and exposure of the hydrophobic pocket.

  7. The structural basis for peptidomimetic inhibition of eukaryotic ribonucleotide reductase: a conformationally flexible pharmacophore.

    PubMed

    Xu, Hai; Fairman, James W; Wijerathna, Sanath R; Kreischer, Nathan R; LaMacchia, John; Helmbrecht, Elizabeth; Cooperman, Barry S; Dealwis, Chris

    2008-08-14

    Eukaryotic ribonucleotide reductase (RR) catalyzes nucleoside diphosphate conversion to deoxynucleoside diphosphate. Crucial for rapidly dividing cells, RR is a target for cancer therapy. RR activity requires formation of a complex between subunits R1 and R2 in which the R2 C-terminal peptide binds to R1. Here we report crystal structures of heterocomplexes containing mammalian R2 C-terminal heptapeptide, P7 (Ac-1FTLDADF7) and its peptidomimetic P6 (1Fmoc(Me)PhgLDChaDF7) bound to Saccharomyces cerevisiae R1 (ScR1). P7 and P6, both of which inhibit ScRR, each bind at two contiguous sites containing residues that are highly conserved among eukaryotes. Such binding is quite distinct from that reported for prokaryotes. The Fmoc group in P6 peptide makes several hydrophobic interactions that contribute to its enhanced potency in binding to ScR1. Combining all of our results, we observe three distinct conformations for peptide binding to ScR1. These structures provide pharmacophores for designing highly potent nonpeptide class I RR inhibitors.

  8. Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.

    PubMed Central

    Alexov, E G; Gunner, M R

    1997-01-01

    A method for combining calculations of residue pKa's with changes in the position of polar hydrogens has been developed. The Boltzmann distributions of proton positions in hydroxyls and neutral titratable residues are found in the same Monte Carlo sampling procedure that determines the amino acid ionization states at each pH. Electrostatic, Lennard-Jones potentials, and torsion angle energies are considered at each proton position. Many acidic and basic residues are found to have significant electrostatic interactions with either a water- or hydroxyl-containing side chain. Protonation state changes are coupled to reorientation of the neighboring hydroxyl dipoles, resulting in smaller free energy differences between neutral and ionized residues than when the protein is held rigid. Multiconformation pH titration gives better agreement with the experimental pKa's for triclinic hen egg lysozyme than conventional rigid protein calculations. The hydroxyl motion significantly increases the protein dielectric response, making it sensitive to the composition of the local protein structure. More than one conformer per residue is often found at a given pH, providing information about the distribution of low-energy lysozyme structures. Images FIGURE 2 FIGURE 6 PMID:9129810

  9. The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore

    SciTech Connect

    Xu, Hai; Fairman, James W.; Wijerathna, Sanath R.; Kreischer, Nathan R.; LaMacchia, John; Helmbrecht, Elizabeth; Cooperman, Barry S.; Dealwis, Chris

    2008-08-19

    Eukaryotic ribonucleotide reductase (RR) catalyzes nucleoside diphosphate conversion to deoxynucleoside diphosphate. Crucial for rapidly dividing cells, RR is a target for cancer therapy. RR activity requires formation of a complex between subunits R1 and R2 in which the R2 C-terminal peptide binds to R1. Here we report crystal structures of heterocomplexes containing mammalian R2 C-terminal heptapeptide, P7 (Ac-{sup 1}FTLDADF{sup 7}) and its peptidomimetic P6 ({sup 1}Fmoc(Me)PhgLDChaDF{sup 7}) bound to Saccharomyces cerevisiae R1 (ScR1). P7 and P6, both of which inhibit ScRR, each bind at two contiguous sites containing residues that are highly conserved among eukaryotes. Such binding is quite distinct from that reported for prokaryotes. The Fmoc group in P6 peptide makes several hydrophobic interactions that contribute to its enhanced potency in binding to ScR1. Combining all of our results, we observe three distinct conformations for peptide binding to ScR1. These structures provide pharmacophores for designing highly potent nonpeptide class I RR inhibitors.

  10. The Role of Conformational Flexibility on Protein Supercharging in Native Electrospray Ionization

    PubMed Central

    Sterling, Harry J.; Cassou, Catherine A.; Trnka, Michael J.; Burlingame, A. L.; Krantz, Bryan A.; Williams, Evan R.

    2012-01-01

    Effects of covalent intramolecular bonds, either native disulfide bridges or chemical crosslinks, on ESI supercharging of proteins from aqueous solutions were investigated. Chemically modifying cytochrome c with up to seven crosslinks or ubiquitin with up to two crosslinks did not affect the average or maximum charge states of these proteins in the absence of m-nitrobenzyl alcohol (m-NBA), but the extent of supercharging induced by m-NBA increased with decreasing numbers of crosslinks. For the model random coil polypeptide reduced/alkylated RNase A, a decrease in charging with increasing m-NBA concentration attributable to reduced surface tension of the ESI droplet was observed, whereas native RNase A electrosprayed from these same solutions exhibited enhanced charging. The inverse relationship between the extent of supercharging and the number of intramolecular crosslinks for folded proteins, as well as the absence of supercharging for proteins that are random coils in aqueous solution, indicate that conformational restrictions induced by the crosslinks reduce the extent of supercharging. These results provide additional evidence that protein and protein complex supercharging from aqueous solution is primarily due to partial or significant unfolding that occurs as a result of chemical and/or thermal denaturation induced by the supercharging reagent late in the ESI droplet lifetime. PMID:21399817

  11. Conformations, transverse fluctuations, and crossover dynamics of a semi-flexible chain in two dimensions

    NASA Astrophysics Data System (ADS)

    Huang, Aiqun; Bhattacharya, Aniket; Binder, Kurt

    2014-06-01

    We present a unified scaling description for the dynamics of monomers of a semiflexible chain under good solvent condition in the free draining limit. We consider both the cases where the contour length L is comparable to the persistence length ℓp and the case L ≫ ℓp. Our theory captures the early time monomer dynamics of a stiff chain characterized by t3/4 dependence for the mean square displacement of the monomers, but predicts a first crossover to the Rouse regime of t2ν/1 + 2ν for τ _1 ˜ ℓ _p^3, and a second crossover to the purely diffusive dynamics for the entire chain at τ2 ˜ L5/2. We confirm the predictions of this scaling description by studying monomer dynamics of dilute solution of semi-flexible chains under good solvent conditions obtained from our Brownian dynamics (BD) simulation studies for a large choice of chain lengths with number of monomers per chain N = 16-2048 and persistence length ℓp = 1-500 Lennard-Jones units. These BD simulation results further confirm the absence of Gaussian regime for a two-dimensional (2D) swollen chain from the slope of the plot of < R_N^2 > /2L ℓ _p ˜ L/ℓ _p which around L/ℓp ˜ 1 changes suddenly from (L/ℓp) → (L/ℓp)0.5, also manifested in the power law decay for the bond autocorrelation function disproving the validity of the worm-like-chain in 2D. We further observe that the normalized transverse fluctuations of the semiflexible chains for different stiffness √{< l_{bot }^2> }/L as a function of renormalized contour length L/ℓp collapse on the same master plot and exhibits power law scaling √{< l_{bot }^2> }/L ˜ (L/ℓ _p)^η at extreme limits, where η = 0.5 for extremely stiff chains (L/ℓp ≫ 1), and η = -0.25 for fully flexible chains. Finally, we compare the radial distribution functions obtained from our simulation studies with those obtained analytically.

  12. Timing Characteristics of Large Area Picosecond Photodetectors

    SciTech Connect

    Adams, Bernhard W.; Elagin, Andrey L.; Frisch, H.; Obaid, Razib; Oberla, E; Vostrikov, Alexander; Wagner, Robert G.; Wang, Jingbo; Wetstein, Matthew J.; Northrop, R

    2015-09-21

    The LAPPD Collaboration was formed to develop ultralast large-area imaging photodetectors based on new methods for fabricating microchannel plates (MCPs). In this paper we characterize the time response using a pulsed, sub picosecond laser. We observe single photoelectron time resolutions of a 20 cm x 20 cm MCP consistently below 70 ps, spatial resolutions of roughly 500 pm, and median gains higher than 10(7). The RMS measured at one particular point on an LAPPD detector is 58 ps, with in of 47 ps. The differential time resolution between the signal reaching the two ends of the delay line anode is measured to be 5.1 ps for large signals, with an asymptotic limit falling below 2 ps as noise-over-signal approaches zero.

  13. Laser crystallization for large-area electronics

    NASA Astrophysics Data System (ADS)

    Sameshima, Toshiyuki

    2009-07-01

    Laser crystallization is reviewed for the purpose of fabrication of polycrystalline silicon thin film transistors (poly-Si TFTs). Laser-induced rapid heating is important for formation of crystalline films with a low thermal budget. Reduction of electrically active defects located at grain boundaries is essential for improving electrical properties of poly-Si films and achieving poly-Si TFTs with high performances. The internal film stress is attractive to increase the carrier mobility. Recent developments in laser crystallization methods with pulsed and continuous-wave lasers are also reviewed. Control of heat flow results in crystalline grain growth in the lateral direction, which is important for fabrication of large crystalline grains. We also report an annealing method using a high-power infrared semiconductor laser. High-power lasers will be attractive for rapid formation of crystalline films over a large area and activation of silicon with impurity atoms.

  14. The CLAS12 large area RICH detector

    SciTech Connect

    M. Contalbrigo, E. Cisbani, P. Rossi

    2011-05-01

    A large area RICH detector is being designed for the CLAS12 spectrometer as part of the 12 GeV upgrade program of the Jefferson Lab Experimental Hall-B. This detector is intended to provide excellent hadron identification from 3 GeV/c up to momenta exceeding 8 GeV/c and to be able to work at the very high design luminosity-up to 1035 cm2 s-1. Detailed feasibility studies are presented for two types of radiators, aerogel and liquid C6F14 freon, in conjunction with a highly segmented light detector in the visible wavelength range. The basic parameters of the RICH are outlined and the resulting performances, as defined by preliminary simulation studies, are reported.

  15. The CLAS12 large area RICH detector

    NASA Astrophysics Data System (ADS)

    Contalbrigo, M.; Cisbani, E.; Rossi, P.

    2011-05-01

    A large area RICH detector is being designed for the CLAS12 spectrometer as part of the 12 GeV upgrade program of the Jefferson Lab Experimental Hall-B. This detector is intended to provide excellent hadron identification from 3 GeV/ c up to momenta exceeding 8 GeV/ c and to be able to work at the very high design luminosity-up to 10 35 cm 2 s -1. Detailed feasibility studies are presented for two types of radiators, aerogel and liquid C 6F 14 freon, in conjunction with a highly segmented light detector in the visible wavelength range. The basic parameters of the RICH are outlined and the resulting performances, as defined by preliminary simulation studies, are reported.

  16. The Large Area Pulsed Solar Simulator (LAPSS)

    NASA Technical Reports Server (NTRS)

    Mueller, R. L.

    1993-01-01

    A Large Area Pulsed Solar Simulator (LAPSS) has been installed at JPL. It is primarily intended to be used to illuminate and measure the electrical performance of photovoltaic devices. The simulator, originally manufactured by Spectrolab, Sylmar, California, occupies an area measuring about 3 meters wide by 12 meters long. The data acquisition and data processing subsystems have been modernized. Tests on the LAPSS performance resulted in better than +/- 2 percent uniformity of irradiance at the test plane and better than +/- 0.3 percent measurement repeatability after warm-up. Glass absorption filters are used to reduce the level of ultraviolet light emitted from the xenon flash lamps. This provides a close match to standard airmass zero and airmass 1.5 spectral irradiance distributions. The 2 millisecond light pulse prevents heating of the device under test, resulting in more reliable temperature measurements. Overall, excellent electrical performance measurements have been made of many different types and sizes of photovoltaic devices.

  17. Fermi Large Area Telescope Second Source Catalog

    NASA Astrophysics Data System (ADS)

    Nolan, P. L.; Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Antolini, E.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Belfiore, A.; Bellazzini, R.; Berenji, B.; Bignami, G. F.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Bonnell, J.; Borgland, A. W.; Bottacini, E.; Bouvier, A.; Brandt, T. J.; Bregeon, J.; Brigida, M.; Bruel, P.; Buehler, R.; Burnett, T. H.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Campana, R.; Cañadas, B.; Cannon, A.; Caraveo, P. A.; Casandjian, J. M.; Cavazzuti, E.; Ceccanti, M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Chipaux, R.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Cominsky, L. R.; Conrad, J.; Corbet, R.; Cutini, S.; D'Ammando, F.; Davis, D. S.; de Angelis, A.; DeCesar, M. E.; DeKlotz, M.; De Luca, A.; den Hartog, P. R.; de Palma, F.; Dermer, C. D.; Digel, S. W.; Silva, E. do Couto e.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Dumora, D.; Enoto, T.; Escande, L.; Fabiani, D.; Falletti, L.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Fortin, P.; Frailis, M.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giebels, B.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Gustafsson, M.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Hill, A. B.; Horan, D.; Hou, X.; Hughes, R. E.; Iafrate, G.; Itoh, R.; Jóhannesson, G.; Johnson, R. P.; Johnson, T. E.; Johnson, A. S.; Johnson, T. J.; Kamae, T.; Katagiri, H.; Kataoka, J.; Katsuta, J.; Kawai, N.; Kerr, M.; Knödlseder, J.; Kocevski, D.; Kuss, M.; Lande, J.; Landriu, D.; Latronico, L.; Lemoine-Goumard, M.; Lionetto, A. M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Madejski, G. M.; Marelli, M.; Massaro, E.; Mazziotta, M. N.; McConville, W.; McEnery, J. E.; Mehault, J.; Michelson, P. F.; Minuti, M.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Mongelli, M.; Monte, C.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakamori, T.; Naumann-Godo, M.; Norris, J. P.; Nuss, E.; Nymark, T.; Ohno, M.; Ohsugi, T.; Okumura, A.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paneque, D.; Panetta, J. H.; Parent, D.; Perkins, J. S.; Pesce-Rollins, M.; Pierbattista, M.; Pinchera, M.; Piron, F.; Pivato, G.; Porter, T. A.; Racusin, J. L.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Reimer, O.; Reposeur, T.; Ritz, S.; Rochester, L. S.; Romani, R. W.; Roth, M.; Rousseau, R.; Ryde, F.; Sadrozinski, H. F.-W.; Salvetti, D.; Sanchez, D. A.; Saz Parkinson, P. M.; Sbarra, C.; Scargle, J. D.; Schalk, T. L.; Sgrò, C.; Shaw, M. S.; Shrader, C.; Siskind, E. J.; Smith, D. A.; Spandre, G.; Spinelli, P.; Stephens, T. E.; Strickman, M. S.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. G.; Thayer, J. B.; Thompson, D. J.; Tibaldo, L.; Tibolla, O.; Tinebra, F.; Tinivella, M.; Torres, D. F.; Tosti, G.; Troja, E.; Uchiyama, Y.; Vandenbroucke, J.; Van Etten, A.; Van Klaveren, B.; Vasileiou, V.; Vianello, G.; Vitale, V.; Waite, A. P.; Wallace, E.; Wang, P.; Werner, M.; Winer, B. L.; Wood, D. L.; Wood, K. S.; Wood, M.; Yang, Z.; Zimmer, S.

    2012-04-01

    We present the second catalog of high-energy γ-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24 month period. The second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are flux measurements in five energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. We provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. The 2FGL catalog contains 1873 sources detected and characterized in the 100 MeV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely γ-ray-producing source classes. We dedicate this paper to the memory of our colleague Patrick Nolan, who died on 2011 November 6. His career spanned much of the history of high-energy astronomy from space and his work on the Large Area Telescope (LAT) began nearly 20 years ago when it was just a concept. Pat was a central member in the operation of the LAT collaboration and he is greatly missed.

  18. Conformation of a flexible polymer in explicit solvent: Accurate solvation potentials for Lennard-Jones chains.

    PubMed

    Taylor, Mark P; Ye, Yuting; Adhikari, Shishir R

    2015-11-28

    The conformation of a polymer chain in solution is coupled to the local structure of the surrounding solvent and can undergo large changes in response to variations in solvent density and temperature. The many-body effects of solvent on the structure of an n-mer polymer chain can be formally mapped to an exact n-body solvation potential. Here, we use a pair decomposition of this n-body potential to construct a set of two-body potentials for a Lennard-Jones (LJ) polymer chain in explicit LJ solvent. The solvation potentials are built from numerically exact results for 5-mer chains in solvent combined with an approximate asymptotic expression for the solvation potential between sites that are distant along the chain backbone. These potentials map the many-body chain-in-solvent problem to a few-body single-chain problem and can be used to study a chain of arbitrary length, thereby dramatically reducing the computational complexity of the polymer chain-in-solvent problem. We have constructed solvation potentials at a large number of state points across the LJ solvent phase diagram including the vapor, liquid, and super-critical regions. We use these solvation potentials in single-chain Monte Carlo (MC) simulations with n ≤ 800 to determine the size, intramolecular structure, and scaling behavior of chains in solvent. To assess our results, we have carried out full chain-in-solvent MC simulations (with n ≤ 100) and find that our solvation potential approach is quantitatively accurate for a wide range of solvent conditions for these chain lengths.

  19. Deterministic composite nanophotonic lattices in large area for broadband applications

    PubMed Central

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-01-01

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates. PMID:27941869

  20. Deterministic composite nanophotonic lattices in large area for broadband applications.

    PubMed

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-12-12

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm(2)) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

  1. Deterministic composite nanophotonic lattices in large area for broadband applications

    NASA Astrophysics Data System (ADS)

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-12-01

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

  2. The world of large-area glazing and displays

    NASA Astrophysics Data System (ADS)

    Lampert, Carl M.

    1999-10-01

    This work covers advances in large-area switchable glazing and flat panel displays. Large flat panels and glazing are being developed by a number of company and university groups. Certain novel flat panels display are made for electronic paper applications. Switchable glazing offers a new way of visualizing the function of a window. Switchable glazing can have a range of adjustable visible properties and shading coefficients. Technologies covered for glazing are electrochromism, suspended particles, encapsulated liquid crystals. Technologies being developed for electronic paper and certain flat display panels include electrophoretics, liquid crystals and bichromal balls. Beyond glazing applications, products based on this technology are flexible displays, electronic paper, switchable modulators, mirrors, and eyeglasses. This study covers developments from several companies including the one square meter electrochromic glazing made by Pilkington/Flabeg and Asahi/Nippon Mitsubishi Oil.

  3. Electrohydrodynamically driven large-area liquid ion sources

    DOEpatents

    Pregenzer, Arian L.

    1988-01-01

    A large-area liquid ion source comprises means for generating, over a large area of the surface of a liquid, an electric field of a strength sufficient to induce emission of ions from a large area of said liquid. Large areas in this context are those distinct from emitting areas in unidimensional emitters.

  4. Large area silicon sheet by EFG

    NASA Technical Reports Server (NTRS)

    Kalejs, J. P.

    1982-01-01

    Work carried out on the JPL Flat Plate Solar Array Project, for the purpose of developing a method for silicon ribbon production by Edge-defined Film-fed Growth (EEG) for use as low-cost substrate material in terrestrial solar cell manufacture, is described. A multiple ribbon furnace unit that is designed to operate on a continuous basis for periods of at least one week, with melt replenishment and automatic ribbon width control, and to produce silicon sheet at a rate of one square meter per hour, was constructed. Program milestones set for single ribbon furnace operation to demonstrate basic EEG system capabilities with respect to growth speed, thickness and cell performance were achieved for 10 cm wide ribbon: steady-state growth at 4 cm/min and 200 micron thickness over periods of an hour and longer was made routine, and a small area cell efficiency of 13+% demonstrated. Large area cells of average efficiency of 10 to 11%, with peak values of 11 to 12% were also achieved. The integration of these individual performance levels into multiple ribbon furnace operation was not accomplished.

  5. Fermi large area telescope second source catalog

    SciTech Connect

    Nolan, P. L.; Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Antolini, E.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Belfiore, A.; Bellazzini, R.; Berenji, B.; Bignami, G. F.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Bonnell, J.; Borgland, A. W.; Bottacini, E.; Bouvier, A.; Brandt, T. J.; Bregeon, J.; Brigida, M.; Bruel, P.; Buehler, R.; Burnett, T. H.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Campana, R.; Cañadas, B.; Cannon, A.; Caraveo, P. A.; Casandjian, J. M.; Cavazzuti, E.; Ceccanti, M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Chipaux, R.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Cominsky, L. R.; Conrad, J.; Corbet, R.; Cutini, S.; D'Ammando, F.; Davis, D. S.; de Angelis, A.; DeCesar, M. E.; DeKlotz, M.; De Luca, A.; den Hartog, P. R.; de Palma, F.; Dermer, C. D.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Dumora, D.; Enoto, T.; Escande, L.; Fabiani, D.; Falletti, L.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Fortin, P.; Frailis, M.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giebels, B.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Grondin, M. -H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Gustafsson, M.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Hill, A. B.; Horan, D.; Hou, X.; Hughes, R. E.; Iafrate, G.; Itoh, R.; Jóhannesson, G.; Johnson, R. P.; Johnson, T. E.; Johnson, A. S.; Johnson, T. J.; Kamae, T.; Katagiri, H.; Kataoka, J.; Katsuta, J.; Kawai, N.; Kerr, M.; Knödlseder, J.; Kocevski, D.; Kuss, M.; Lande, J.; Landriu, D.; Latronico, L.; Lemoine-Goumard, M.; Lionetto, A. M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Madejski, G. M.; Marelli, M.; Massaro, E.; Mazziotta, M. N.; McConville, W.; McEnery, J. E.; Mehault, J.; Michelson, P. F.; Minuti, M.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Mongelli, M.; Monte, C.; Monzani, M. E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakamori, T.; Naumann-Godo, M.; Norris, J. P.; Nuss, E.; Nymark, T.; Ohno, M.; Ohsugi, T.; Okumura, A.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paneque, D.; Panetta, J. H.; Parent, D.; Perkins, J. S.; Pesce-Rollins, M.; Pierbattista, M.; Pinchera, M.; Piron, F.; Pivato, G.; Porter, T. A.; Racusin, J. L.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Reimer, O.; Reposeur, T.; Ritz, S.; Rochester, L. S.; Romani, R. W.; Roth, M.; Rousseau, R.; Ryde, F.; Sadrozinski, H. F. -W.; Salvetti, D.; Sanchez, D. A.; Saz Parkinson, P. M.; Sbarra, C.; Scargle, J. D.; Schalk, T. L.; Sgrò, C.; Shaw, M. S.; Shrader, C.; Siskind, E. J.; Smith, D. A.; Spandre, G.; Spinelli, P.; Stephens, T. E.; Strickman, M. S.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. G.; Thayer, J. B.; Thompson, D. J.; Tibaldo, L.; Tibolla, O.; Tinebra, F.; Tinivella, M.; Torres, D. F.; Tosti, G.; Troja, E.; Uchiyama, Y.; Vandenbroucke, J.; Van Etten, A.; Van Klaveren, B.; Vasileiou, V.; Vianello, G.; Vitale, V.; Waite, A. P.; Wallace, E.; Wang, P.; Werner, M.; Winer, B. L.; Wood, D. L.; Wood, K. S.; Wood, M.; Yang, Z.; Zimmer, S.

    2012-03-28

    Here, we present the second catalog of high-energy γ-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24 month period. The second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are flux measurements in five energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. Furthermore, we provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. Finally, the 2FGL catalog contains 1873 sources detected and characterized in the 100 MeV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely γ-ray-producing source classes.

  6. Large area atmospheric-pressure plasma jet

    DOEpatents

    Selwyn, Gary S.; Henins, Ivars; Babayan, Steve E.; Hicks, Robert F.

    2001-01-01

    Large area atmospheric-pressure plasma jet. A plasma discharge that can be operated at atmospheric pressure and near room temperature using 13.56 MHz rf power is described. Unlike plasma torches, the discharge produces a gas-phase effluent no hotter than 250.degree. C. at an applied power of about 300 W, and shows distinct non-thermal characteristics. In the simplest design, two planar, parallel electrodes are employed to generate a plasma in the volume therebetween. A "jet" of long-lived metastable and reactive species that are capable of rapidly cleaning or etching metals and other materials is generated which extends up to 8 in. beyond the open end of the electrodes. Films and coatings may also be removed by these species. Arcing is prevented in the apparatus by using gas mixtures containing He, which limits ionization, by using high flow velocities, and by properly spacing the rf-powered electrode. Because of the atmospheric pressure operation, there is a negligible density of ions surviving for a sufficiently long distance beyond the active plasma discharge to bombard a workpiece, unlike the situation for low-pressure plasma sources and conventional plasma processing methods.

  7. Large area silicon sheet by EFG

    NASA Technical Reports Server (NTRS)

    1981-01-01

    Progress was made in improving ribbon flatness and reducing stress, and in raising cell performance for 10 cm wide ribbon grown in single cartridge EFG furnaces. Optimization of growth conditions resulted in improved ribbon thickness uniformity at a thickness of 200 micron, grown at 4 cm/minute, and growth at this target speed is routinely achieved over periods of the order of one hour or more. With the improved ribbon flatness, fabrication of large area (50 cm2) cells is now possible, and 10 to 11% efficiencies were demonstrated on ribbon grown at 3.5 to 4 cm/minute. Factors limiting performance of the existing multiple ribbon furnace were identified, and growth system improvements implemented to help raise throughput rates and the time percentage of simultaneous three-ribbon growth. However, it is evident that major redesign of this furnace would be needed to overcome shortfalls in its ability to achieve the Technical Features Demonstration goals of 1980. It was decided to start construction of a new multiple ribbon furnace and to incorporate the desired improvements into its design. The construction of this furnace is completed.

  8. Fermi Large Area Telescope Second Source Catalog

    NASA Technical Reports Server (NTRS)

    Nolan, P. L.; Abdo, A. A.; Ackermann, M.; Ajello, M; Allafort, A.; Antolini, E; Bonnell, J.; Cannon, A.; Celik O.; Corbet, R.; Davis, D. S.; DeCesar, M. E.; Ferrara, E. C.; Gehrels, N.; Harding, A. K.; Hays, E.; Johnson, T. E.; McConville, W.; McEnery, J. E; Perkins, J. S.; Racusin, J. L; Scargle, J. D.; Stephens, T. E.; Thompson, D. J.; Troja, E.

    2012-01-01

    We present the second catalog of high-energy gamma-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24-month period. The Second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are flux measurements in 5 energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. We provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. The 2FGL catalog contains 1873 sources detected and characterized in the 100 11eV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely gamma-ray-producing source classes.

  9. The Large Area Pulsed Solar Simulator (LAPSS)

    NASA Technical Reports Server (NTRS)

    Mueller, R. L.

    1994-01-01

    The Large Area Pulsed Solar Simulator (LAPSS) has been installed at JPL. It is primarily intended to be used to illuminate and measure the electrical performance of photovoltaic devices. The simulator, originally manufactured by Spectrolab, Sylmar, CA, occupies an area measuring about 3 m wide x 12 m long. The data acquisition and data processing subsystems have been modernized. Tests on the LAPSS performance resulted in better than plus or minus 2 percent uniformity of irradiance at the test plane and better than plus or minus 0.3 percent measurement repeatability after warm-up. Glass absorption filters reduce the ultraviolet light emitted from the xenon flash lamps. This results in a close match to three different standard airmass zero and airmass 1.5 spectral irradiances. The 2-ms light pulse prevents heating of the device under test, resulting in more reliable temperature measurements. Overall, excellent electrical performance measurements have been made of many different types and sizes of photovoltaic devices. Since the original printing of this publication, in 1993, the LAPSS has been operational and new capabilities have been added. This revision includes a new section relating to the installation of a method to measure the I-V curve of a solar cell or array exhibiting a large effective capacitance. Another new section has been added relating to new capabilities for plotting single and multiple I-V curves, and for archiving the I-V data and test parameters. Finally, a section has been added regarding the data acquisition electronics calibration.

  10. FERMI LARGE AREA TELESCOPE SECOND SOURCE CATALOG

    SciTech Connect

    Nolan, P. L.; Ajello, M.; Allafort, A.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Abdo, A. A.; Ackermann, M.; Antolini, E.; Bonamente, E.; Atwood, W. B.; Belfiore, A.; Axelsson, M.; Baldini, L.; Bellazzini, R.; Ballet, J.; Bastieri, D.; Bignami, G. F. E-mail: Gino.Tosti@pg.infn.it E-mail: tburnett@u.washington.edu; and others

    2012-04-01

    We present the second catalog of high-energy {gamma}-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24 month period. The second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are flux measurements in five energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. We provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. The 2FGL catalog contains 1873 sources detected and characterized in the 100 MeV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely {gamma}-ray-producing source classes.

  11. Multi-Conformation Monte Carlo: A Method for Introducing Flexibility in Efficient Simulations of Many-Protein Systems.

    PubMed

    Prytkova, Vera; Heyden, Matthias; Khago, Domarin; Freites, J Alfredo; Butts, Carter T; Martin, Rachel W; Tobias, Douglas J

    2016-08-25

    We present a novel multi-conformation Monte Carlo simulation method that enables the modeling of protein-protein interactions and aggregation in crowded protein solutions. This approach is relevant to a molecular-scale description of realistic biological environments, including the cytoplasm and the extracellular matrix, which are characterized by high concentrations of biomolecular solutes (e.g., 300-400 mg/mL for proteins and nucleic acids in the cytoplasm of Escherichia coli). Simulation of such environments necessitates the inclusion of a large number of protein molecules. Therefore, computationally inexpensive methods, such as rigid-body Brownian dynamics (BD) or Monte Carlo simulations, can be particularly useful. However, as we demonstrate herein, the rigid-body representation typically employed in simulations of many-protein systems gives rise to certain artifacts in protein-protein interactions. Our approach allows us to incorporate molecular flexibility in Monte Carlo simulations at low computational cost, thereby eliminating ambiguities arising from structure selection in rigid-body simulations. We benchmark and validate the methodology using simulations of hen egg white lysozyme in solution, a well-studied system for which extensive experimental data, including osmotic second virial coefficients, small-angle scattering structure factors, and multiple structures determined by X-ray and neutron crystallography and solution NMR, as well as rigid-body BD simulation results, are available for comparison.

  12. Fermi Large Area Telescope First Source Catalog

    DOE PAGES

    Abdo, A. A.; Ackermann, M.; Ajello, M.; ...

    2010-05-25

    Here, we present a catalog of high-energy gamma-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), during the first 11 months of the science phase of the mission, which began on 2008 August 4. The First Fermi-LAT catalog (1FGL) contains 1451 sources detected and characterized in the 100 MeV to 100 GeV range. Source detection was based on the average flux over the 11 month period, and the threshold likelihood Test Statistic is 25, corresponding to a significance of just over 4σ. The 1FGL catalog includes source location regions,more » defined in terms of elliptical fits to the 95% confidence regions and power-law spectral fits as well as flux measurements in five energy bands for each source. In addition, monthly light curves are provided. Using a protocol defined before launch we have tested for several populations of gamma-ray sources among the sources in the catalog. For individual LAT-detected sources we provide firm identifications or plausible associations with sources in other astronomical catalogs. Identifications are based on correlated variability with counterparts at other wavelengths, or on spin or orbital periodicity. For the catalogs and association criteria that we have selected, 630 of the sources are unassociated. In conclusion, care was taken to characterize the sensitivity of the results to the model of interstellar diffuse gamma-ray emission used to model the bright foreground, with the result that 161 sources at low Galactic latitudes and toward bright local interstellar clouds are flagged as having properties that are strongly dependent on the model or as potentially being due to incorrectly modeled structure in the Galactic diffuse emission.« less

  13. Fermi large area telescope second source catalog

    DOE PAGES

    Nolan, P. L.; Abdo, A. A.; Ackermann, M.; ...

    2012-03-28

    Here, we present the second catalog of high-energy γ-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24 month period. The second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are fluxmore » measurements in five energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. Furthermore, we provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. Finally, the 2FGL catalog contains 1873 sources detected and characterized in the 100 MeV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely γ-ray-producing source classes.« less

  14. Large Area Lunar Dust Flux Measurement Instrument

    NASA Technical Reports Server (NTRS)

    Corsaro, R.; Giovane, F.; Liou, Jer-Chyi; Burchell, M.; Stansbery, Eugene; Lagakos, N.

    2009-01-01

    The instrument under development is designed to characterize the flux and size distribution of the lunar micrometeoroid and secondary ejecta environment. When deployed on the lunar surface, the data collected will benefit fundamental lunar science as well as enabling more reliable impact risk assessments for human lunar exploration activities. To perform this task, the instrument requirements are demanding. It must have as large a surface area as possible to sample the very sparse population of the larger potentially damage-inducing micrometeorites. It must also have very high sensitivity to enable it to measure the flux of small (<10 micron) micrometeorite and secondary ejecta dust particles. To be delivered to the lunar surface, it must also be very low mass, rugged and stow compactly. The instrument designed to meet these requirements is called FOMIS. It is a large-area thin film under tension (i.e. a drum) with multiple fiber optic displacement (FOD) sensors to monitor displacements of the film. This sensor was chosen since it can measure displacements over a wide dynamic range: 1 cm to sub-Angstrom. A prototype system was successfully demonstrated using the hypervelocity impact test facility at the University of Kent (Canterbury, UK). Based on these results, the prototype system can detect hypervelocity (approx.5 km/s) impacts by particles as small as 2 microns diameter. Additional tests using slow speeds find that it can detect secondary ejecta particles (which do not penetrate the film) with momentums as small as 15 pico-gram 100m/s, or nominally 5 microns diameter at 100 m/s.

  15. Large Area Lunar Dust Flux Measurement Instrument

    NASA Technical Reports Server (NTRS)

    Corsaro, R.; Giovane, F.; Liou, Jer-Chyi; Burchell, M.; Stansbery, Eugene; Lagakos, N.

    2009-01-01

    The instrument under development is designed to characterize the flux and size distribution of the lunar micrometeoroid and secondary ejecta environment. When deployed on the lunar surface, the data collected will benefit fundamental lunar science as well as enabling more reliable impact risk assessments for human lunar exploration activities. To perform this task, the instrument requirements are demanding. It must have as large a surface area as possible to sample the very sparse population of the larger potentially damage-inducing micrometeorites. It must also have very high sensitivity to enable it to measure the flux of small (<10 micron) micrometeorite and secondary ejecta dust particles. To be delivered to the lunar surface, it must also be very low mass, rugged and stow compactly. The instrument designed to meet these requirements is called FOMIS. It is a large-area thin film under tension (i.e. a drum) with multiple fiber optic displacement (FOD) sensors to monitor displacements of the film. This sensor was chosen since it can measure displacements over a wide dynamic range: 1 cm to sub-Angstrom. A prototype system was successfully demonstrated using the hypervelocity impact test facility at the University of Kent (Canterbury, UK). Based on these results, the prototype system can detect hypervelocity (approx.5 km/s) impacts by particles as small as 2 microns diameter. Additional tests using slow speeds find that it can detect secondary ejecta particles (which do not penetrate the film) with momentums as small as 15 pico-gram 100m/s, or nominally 5 microns diameter at 100 m/s.

  16. Fermi Large Area Telescope First Source Catalog

    SciTech Connect

    Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Antolini, E.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Baughman, B. M.; Bechtol, K.; Bellazzini, R.; Belli, F.; Berenji, B.; Bisello, D.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Bonnell, J.; Borgland, A. W.; Bouvier, A.; Bregeon, J.; Brez, A.; Brigida, M.; Bruel, P.; Burnett, T. H.; Busetto, G.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Campana, R.; Canadas, B.; Caraveo, P. A.; Carrigan, S.; Casandjian, J. M.; Cavazzuti, E.; Ceccanti, M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Cillis, A. N.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Conrad, J.; Corbet, R.; Davis, D. S.; DeKlotz, M.; den Hartog, P. R.; Dermer, C. D.; de Angelis, A.; de Luca, A.; de Palma, F.; Digel, S. W.; Dormody, M.; do Couto e Silva, E.; Drell, P. S.; Dubois, R.; Dumora, D.; Fabiani, D.; Farnier, C.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Fortin, P.; Frailis, M.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giavitto, G.; Giebels, B.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Grondin, M. -H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Gustafsson, M.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Healey, S. E.; Hill, A. B.; Horan, D.; Hughes, R. E.; Iafrate, G.; Jóhannesson, G.; Johnson, A. S.; Johnson, R. P.; Johnson, T. J.; Johnson, W. N.; Kamae, T.; Katagiri, H.; Kataoka, J.; Kawai, N.; Kerr, M.; Knödlseder, J.; Kocevski, D.; Kuss, M.; Lande, J.; Landriu, D.; Latronico, L.; Lee, S. -H.; Lemoine-Goumard, M.; Lionetto, A. M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Madejski, G. M.; Makeev, A.; Marangelli, B.; Marelli, M.; Massaro, E.; Mazziotta, M. N.; McConville, W.; McEnery, J. E.; Michelson, P. F.; Minuti, M.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Mongelli, M.; Monte, C.; Monzani, M. E.; Moretti, E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakajima, H.; Nakamori, T.; Naumann-Godo, M.; Nolan, P. L.; Norris, J. P.; Nuss, E.; Ohno, M.; Ohsugi, T.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paccagnella, A.; Paneque, D.; Panetta, J. H.; Parent, D.; Pelassa, V.; Pepe, M.; Pesce-Rollins, M.; Pinchera, M.; Piron, F.; Porter, T. A.; Poupard, L.; Rainò, S.; Rando, R.; Ray, P. S.; Razzano, M.; Razzaque, S.; Rea, N.; Reimer, A.; Reimer, O.; Reposeur, T.; Ripken, J.; Ritz, S.; Rochester, L. S.; Rodriguez, A. Y.; Romani, R. W.; Roth, M.; Sadrozinski, H. F. -W.; Salvetti, D.; Sanchez, D.; Sander, A.; Saz Parkinson, P. M.; Scargle, J. D.; Schalk, T. L.; Scolieri, G.; Sgrò, C.; Shaw, M. S.; Siskind, E. J.; Smith, D. A.; Smith, P. D.; Spandre, G.; Spinelli, P.; Starck, J. -L.; Stephens, T. E.; Striani, E.; Strickman, M. S.; Strong, A. W.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Thompson, D. J.; Tibaldo, L.; Tibolla, O.; Tinebra, F.; Torres, D. F.; Tosti, G.; Tramacere, A.; Uchiyama, Y.; Usher, T. L.; Van Etten, A.; Vasileiou, V.; Vilchez, N.; Vitale, V.; Waite, A. P.; Wallace, E.; Wang, P.; Watters, K.; Winer, B. L.; Wood, K. S.; Yang, Z.; Ylinen, T.; Ziegler, M.

    2010-05-25

    Here, we present a catalog of high-energy gamma-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), during the first 11 months of the science phase of the mission, which began on 2008 August 4. The First Fermi-LAT catalog (1FGL) contains 1451 sources detected and characterized in the 100 MeV to 100 GeV range. Source detection was based on the average flux over the 11 month period, and the threshold likelihood Test Statistic is 25, corresponding to a significance of just over 4σ. The 1FGL catalog includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and power-law spectral fits as well as flux measurements in five energy bands for each source. In addition, monthly light curves are provided. Using a protocol defined before launch we have tested for several populations of gamma-ray sources among the sources in the catalog. For individual LAT-detected sources we provide firm identifications or plausible associations with sources in other astronomical catalogs. Identifications are based on correlated variability with counterparts at other wavelengths, or on spin or orbital periodicity. For the catalogs and association criteria that we have selected, 630 of the sources are unassociated. In conclusion, care was taken to characterize the sensitivity of the results to the model of interstellar diffuse gamma-ray emission used to model the bright foreground, with the result that 161 sources at low Galactic latitudes and toward bright local interstellar clouds are flagged as having properties that are strongly dependent on the model or as potentially being due to incorrectly modeled structure in the Galactic diffuse emission.

  17. Large Area X-ray Spectroscopy Mission

    NASA Technical Reports Server (NTRS)

    Tananbaum, Harvey

    1996-01-01

    The Large Area X-ray Spectroscopy (LAXS) mission study concept has evolved strongly over the last year culminating in the merging of LAXS with the Goddard Space Flight Center (GSFC) proposal for a similar mission, the Next Generation X-ray Observatory (NGXO, PI: Nick White). The resulting merger, re-named the High Throughput X-rays Spectroscopy (HTXS) Mission has also expanded by the inclusion of another SAO proposed new mission concept proposal, the Hard X-Ray Telescope (PI: Paul Gorenstein). The resultant multi-instrument mission retains much of heritage from the LAXS proposal, including the use of multiple satellites for robustness. These mergers resulted from a series of contacts between various team members, via e-mail, telecons, and in-person meetings. The impetus for the mergers was the fundamental similarity between the missions, and the recognition that all three proposal teams had significant contributions to make in the effort to define the next stage in the X-ray exploration of the universe. We have enclosed four items that represent some of the work that has occurred during the first year of the study: first, a presentation at the Leicester meeting, second a presentation that was made to Dan Goldin following the merging of LAXS and NGXO, third a copy of the first announcement for the Workshop, and finally the interim report that was prepared by the HTXS study team towards the end of the first year. This last document provides the foundation for the HTXS Technology Roadmap that is being generated. The HTXS roadmap will define the near-term goals that the merged mission must achieve over the next few years. A web site has been developed and populated that contains much of the material that has been generated over the past year.

  18. Fermi Large Area Telescope third source catalog

    DOE PAGES

    Acero, F.; Ackermann, M.; Ajello, M.; ...

    2015-06-12

    Here, we present the third Fermi Large Area Telescope (LAT) source catalog (3FGL) of sources in the 100 MeV–300 GeV range. Based on the first 4 yr of science data from the Fermi Gamma-ray Space Telescope mission, it is the deepest yet in this energy range. Relative to the Second Fermi LAT catalog, the 3FGL catalog incorporates twice as much data, as well as a number of analysis improvements, including improved calibrations at the event reconstruction level, an updated model for Galactic diffuse γ-ray emission, a refined procedure for source detection, and improved methods for associating LAT sources with potential counterparts at other wavelengths. The 3FGL catalog includes 3033 sources abovemore » $$4\\sigma $$ significance, with source location regions, spectral properties, and monthly light curves for each. Of these, 78 are flagged as potentially being due to imperfections in the model for Galactic diffuse emission. Twenty-five sources are modeled explicitly as spatially extended, and overall 238 sources are considered as identified based on angular extent or correlated variability (periodic or otherwise) observed at other wavelengths. For 1010 sources we have not found plausible counterparts at other wavelengths. More than 1100 of the identified or associated sources are active galaxies of the blazar class; several other classes of non-blazar active galaxies are also represented in the 3FGL. Pulsars represent the largest Galactic source class. As a result, from source counts of Galactic sources we estimate that the contribution of unresolved sources to the Galactic diffuse emission is ~3% at 1 GeV.« less

  19. Large-area mapping of biodiversity

    USGS Publications Warehouse

    Scott, J.M.; Jennings, M.D.

    1998-01-01

    The age of discovery, description, and classification of biodiversity is entering a new phase. In responding to the conservation imperative, we can now supplement the essential work of systematics with spatially explicit information on species and assemblages of species. This is possible because of recent conceptual, technical, and organizational progress in generating synoptic views of the earth's surface and a great deal of its biological content, at multiple scales of thematic as well as geographic resolution. The development of extensive spatial data on species distributions and vegetation types provides us with a framework for: (a) assessing what we know and where we know it at meso-scales, and (b) stratifying the biological universe so that higher-resolution surveys can be more efficiently implemented, coveting, for example, geographic adequacy of specimen collections, population abundance, reproductive success, and genetic dynamics. The land areas involved are very large, and the questions, such as resolution, scale, classification, and accuracy, are complex. In this paper, we provide examples from the United States Gap Analysis Program on the advantages and limitations of mapping the occurrence of terrestrial vertebrate species and dominant land-cover types over large areas as joint ventures and in multi-organizational partnerships, and how these cooperative efforts can be designed to implement results from data development and analyses as on-the-ground actions. Clearly, new frameworks for thinking about biogeographic information as well as organizational cooperation are needed if we are to have any hope of documenting the full range of species occurrences and ecological processes in ways meaningful to their management. The Gap Analysis experience provides one model for achieving these new frameworks.

  20. Fermi Large Area Telescope First Source Catalog

    NASA Astrophysics Data System (ADS)

    Abdo, A. A.; Ackermann, M.; Ajello, M.; Allafort, A.; Antolini, E.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Baughman, B. M.; Bechtol, K.; Bellazzini, R.; Belli, F.; Berenji, B.; Bisello, D.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Bonnell, J.; Borgland, A. W.; Bouvier, A.; Bregeon, J.; Brez, A.; Brigida, M.; Bruel, P.; Burnett, T. H.; Busetto, G.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Campana, R.; Canadas, B.; Caraveo, P. A.; Carrigan, S.; Casandjian, J. M.; Cavazzuti, E.; Ceccanti, M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chekhtman, A.; Cheung, C. C.; Chiang, J.; Cillis, A. N.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Conrad, J.; Corbet, R.; Davis, D. S.; DeKlotz, M.; den Hartog, P. R.; Dermer, C. D.; de Angelis, A.; de Luca, A.; de Palma, F.; Digel, S. W.; Dormody, M.; Silva, E. do Couto e.; Drell, P. S.; Dubois, R.; Dumora, D.; Fabiani, D.; Farnier, C.; Favuzzi, C.; Fegan, S. J.; Ferrara, E. C.; Focke, W. B.; Fortin, P.; Frailis, M.; Fukazawa, Y.; Funk, S.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giavitto, G.; Giebels, B.; Giglietto, N.; Giommi, P.; Giordano, F.; Giroletti, M.; Glanzman, T.; Godfrey, G.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guillemot, L.; Guiriec, S.; Gustafsson, M.; Hadasch, D.; Hanabata, Y.; Harding, A. K.; Hayashida, M.; Hays, E.; Healey, S. E.; Hill, A. B.; Horan, D.; Hughes, R. E.; Iafrate, G.; Jóhannesson, G.; Johnson, A. S.; Johnson, R. P.; Johnson, T. J.; Johnson, W. N.; Kamae, T.; Katagiri, H.; Kataoka, J.; Kawai, N.; Kerr, M.; Knödlseder, J.; Kocevski, D.; Kuss, M.; Lande, J.; Landriu, D.; Latronico, L.; Lee, S.-H.; Lemoine-Goumard, M.; Lionetto, A. M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Madejski, G. M.; Makeev, A.; Marangelli, B.; Marelli, M.; Massaro, E.; Mazziotta, M. N.; McConville, W.; McEnery, J. E.; Michelson, P. F.; Minuti, M.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Mongelli, M.; Monte, C.; Monzani, M. E.; Moretti, E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakajima, H.; Nakamori, T.; Naumann-Godo, M.; Nolan, P. L.; Norris, J. P.; Nuss, E.; Ohno, M.; Ohsugi, T.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paccagnella, A.; Paneque, D.; Panetta, J. H.; Parent, D.; Pelassa, V.; Pepe, M.; Pesce-Rollins, M.; Pinchera, M.; Piron, F.; Porter, T. A.; Poupard, L.; Rainò, S.; Rando, R.; Ray, P. S.; Razzano, M.; Razzaque, S.; Rea, N.; Reimer, A.; Reimer, O.; Reposeur, T.; Ripken, J.; Ritz, S.; Rochester, L. S.; Rodriguez, A. Y.; Romani, R. W.; Roth, M.; Sadrozinski, H. F.-W.; Salvetti, D.; Sanchez, D.; Sander, A.; Saz Parkinson, P. M.; Scargle, J. D.; Schalk, T. L.; Scolieri, G.; Sgrò, C.; Shaw, M. S.; Siskind, E. J.; Smith, D. A.; Smith, P. D.; Spandre, G.; Spinelli, P.; Starck, J.-L.; Stephens, T. E.; Striani, E.; Strickman, M. S.; Strong, A. W.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Thompson, D. J.; Tibaldo, L.; Tibolla, O.; Tinebra, F.; Torres, D. F.; Tosti, G.; Tramacere, A.; Uchiyama, Y.; Usher, T. L.; Van Etten, A.; Vasileiou, V.; Vilchez, N.; Vitale, V.; Waite, A. P.; Wallace, E.; Wang, P.; Watters, K.; Winer, B. L.; Wood, K. S.; Yang, Z.; Ylinen, T.; Ziegler, M.; Fermi LAT Collaboration

    2010-06-01

    We present a catalog of high-energy gamma-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), during the first 11 months of the science phase of the mission, which began on 2008 August 4. The First Fermi-LAT catalog (1FGL) contains 1451 sources detected and characterized in the 100 MeV to 100 GeV range. Source detection was based on the average flux over the 11 month period, and the threshold likelihood Test Statistic is 25, corresponding to a significance of just over 4σ. The 1FGL catalog includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and power-law spectral fits as well as flux measurements in five energy bands for each source. In addition, monthly light curves are provided. Using a protocol defined before launch we have tested for several populations of gamma-ray sources among the sources in the catalog. For individual LAT-detected sources we provide firm identifications or plausible associations with sources in other astronomical catalogs. Identifications are based on correlated variability with counterparts at other wavelengths, or on spin or orbital periodicity. For the catalogs and association criteria that we have selected, 630 of the sources are unassociated. Care was taken to characterize the sensitivity of the results to the model of interstellar diffuse gamma-ray emission used to model the bright foreground, with the result that 161 sources at low Galactic latitudes and toward bright local interstellar clouds are flagged as having properties that are strongly dependent on the model or as potentially being due to incorrectly modeled structure in the Galactic diffuse emission.

  1. Development of large Area Covering Height Model

    NASA Astrophysics Data System (ADS)

    Jacobsen, K.

    2014-04-01

    Height information is a basic part of topographic mapping. Only in special areas frequent update of height models is required, usually the update cycle is quite lower as for horizontal map information. Some height models are available free of charge in the internet; for commercial height models a fee has to be paid. Mostly digital surface models (DSM) with the height of the visible surface are given and not the bare ground height, as required for standard mapping. Nevertheless by filtering of DSM, digital terrain models (DTM) with the height of the bare ground can be generated with the exception of dense forest areas where no height of the bare ground is available. These height models may be better as the DTM of some survey administrations. In addition several DTM from national survey administrations are classified, so as alternative the commercial or free of charge available information from internet can be used. The widely used SRTM DSM is available also as ACE-2 GDEM corrected by altimeter data for systematic height errors caused by vegetation and orientation errors. But the ACE-2 GDEM did not respect neighbourhood information. With the worldwide covering TanDEM-X height model, distributed starting 2014 by Airbus Defence and Space (former ASTRIUM) as WorldDEM, higher level of details and accuracy is reached as with other large area covering height models. At first the raw-version of WorldDEM will be available, followed by an edited version and finally as WorldDEM-DTM a height model of the bare ground. With 12 m spacing and a relative standard deviation of 1.2 m within an area of 1° x 1° an accuracy and resolution level is reached, satisfying also for larger map scales. For limited areas with the HDEM also a height model with 6 m spacing and a relative vertical accuracy of 0.5 m can be generated on demand. By bathymetric LiDAR and stereo images also the height of the sea floor can be determined if the water has satisfying transparency. Another method of getting

  2. A previously unobserved conformation for the human Pex5p receptor suggests roles for intrinsic flexibility and rigid domain motions in ligand binding

    PubMed Central

    Stanley, Will A; Pursiainen, Niko V; Garman, Elspeth F; Juffer, André H; Wilmanns, Matthias; Kursula, Petri

    2007-01-01

    Background The C-terminal tetratricopeptide (TPR) repeat domain of Pex5p recognises proteins carrying a peroxisomal targeting signal type 1 (PTS1) tripeptide in their C-terminus. Previously, structural data have been obtained from the TPR domain of Pex5p in both the liganded and unliganded states, indicating a conformational change taking place upon cargo protein binding. Such a conformational change would be expected to play a major role both during PTS1 protein recognition as well as in cargo release into the peroxisomal lumen. However, little information is available on the factors that may regulate such structural changes. Results We have used a range of biophysical and computational methods to further analyse the conformational flexibility and ligand binding of Pex5p. A new crystal form for the human Pex5p C-terminal domain (Pex5p(C)) was obtained in the presence of Sr2+ ions, and the structure presents a novel conformation, distinct from all previous liganded and apo crystal structures for Pex5p(C). The difference relates to a near-rigid body movement of two halves of the molecule, and this movement is different from that required to reach a ring-like conformation upon PTS1 ligand binding. The bound Sr2+ ion changes the dynamic properties of Pex5p(C) affecting its conformation, possibly by making the Sr2+-binding loop – located near the hinge region for the observed domain motions – more rigid. Conclusion The current data indicate that Pex5p(C) is able to sample a range of conformational states in the absence of bound PTS1 ligand. The domain movements between various apo conformations are distinct from those involved in ligand binding, although the differences between all observed conformations so far can be characterised by the movement of the two halves of Pex5p(C) as near-rigid bodies with respect to each other. PMID:17428317

  3. Graphene-based large area dye-sensitized solar cell modules

    NASA Astrophysics Data System (ADS)

    Casaluci, Simone; Gemmi, Mauro; Pellegrini, Vittorio; di Carlo, Aldo; Bonaccorso, Francesco

    2016-02-01

    We demonstrate spray coating of graphene ink as a viable method for large-area fabrication of graphene-based dye-sensitized solar cell (DSSC) modules. A graphene-based ink produced by liquid phase exfoliation of graphite is spray coated onto a transparent conductive oxide substrate to realize a large area (>90 cm2) semi-transparent (transmittance 44%) counter-electrode (CE) replacing platinum, the standard CE material. The graphene-based CE is successfully integrated in a large-area (43.2 cm2 active area) DSSC module achieving a power conversion efficiency of 3.5%. The approach demonstrated here paves the way to all-printed, flexible, and transparent graphene-based large-area and cost-effective photovoltaic devices on arbitrary substrates.

  4. Graphene-based large area dye-sensitized solar cell modules.

    PubMed

    Casaluci, Simone; Gemmi, Mauro; Pellegrini, Vittorio; Di Carlo, Aldo; Bonaccorso, Francesco

    2016-03-07

    We demonstrate spray coating of graphene ink as a viable method for large-area fabrication of graphene-based dye-sensitized solar cell (DSSC) modules. A graphene-based ink produced by liquid phase exfoliation of graphite is spray coated onto a transparent conductive oxide substrate to realize a large area (>90 cm(2)) semi-transparent (transmittance 44%) counter-electrode (CE) replacing platinum, the standard CE material. The graphene-based CE is successfully integrated in a large-area (43.2 cm(2) active area) DSSC module achieving a power conversion efficiency of 3.5%. The approach demonstrated here paves the way to all-printed, flexible, and transparent graphene-based large-area and cost-effective photovoltaic devices on arbitrary substrates.

  5. Development of a conformational search strategy for flexible ligands: A study of the potent μ-selective opioid analgesic fentanyl

    NASA Astrophysics Data System (ADS)

    Cometta-Morini, Chiara; Loew, Gilda H.

    1991-08-01

    An extensive conformational search of the potent opioid analgesic, fentanyl, was performed using the semiempirical quantum mechanical method AM1 and the CHARMm potential energy function. A combination of two procedures was used to search the conformational space for fentanyl, which included nested dihedral scans, geometry optimization and molecular dynamics simulation at different temperatures. In addition, the effect of a continuum solvent environment was taken into account by use of appropriate values for the dielectric constant in the CHARMm computations. The results of the conformational search allowed the determination of the probable conformation of fentanyl in polar and nonpolar solvents and of three candidate conformers for its bioactive form.

  6. Avoiding Regions Symptomatic of Conformational and Functional Flexibility to Identify Antiviral Targets in Current and Future Coronaviruses

    PubMed Central

    Rahaman, Jordon; Siltberg-Liberles, Jessica

    2016-01-01

    Within the last 15 years, two related coronaviruses (Severe Acute Respiratory Syndrome [SARS]-CoV and Middle East Respiratory Syndrome [MERS]-CoV) expanded their host range to include humans, with increased virulence in their new host. Coronaviruses were recently found to have little intrinsic disorder compared with many other virus families. Because intrinsically disordered regions have been proposed to be important for rewiring interactions between virus and host, we investigated the conservation of intrinsic disorder and secondary structure in coronaviruses in an evolutionary context. We found that regions of intrinsic disorder are rarely conserved among different coronavirus protein families, with the primary exception of the nucleocapsid. Also, secondary structure predictions are only conserved across 50–80% of sites for most protein families, with the implication that 20–50% of sites do not have conserved secondary structure prediction. Furthermore, nonconserved structure sites are significantly less constrained in sequence divergence than either sites conserved in the secondary structure or sites conserved in loop. Avoiding regions symptomatic of conformational flexibility such as disordered sites and sites with nonconserved secondary structure to identify potential broad-specificity antiviral targets, only one sequence motif (five residues or longer) remains from the >10,000 starting sites across all coronaviruses in this study. The identified sequence motif is found within the nonstructural protein (NSP) 12 and constitutes an antiviral target potentially effective against the present day and future coronaviruses. On shorter evolutionary timescales, the SARS and MERS clades have more sequence motifs fulfilling the criteria applied. Interestingly, many motifs map to NSP12 making this a prime target for coronavirus antivirals. PMID:27797946

  7. Evidence That GH115 α-Glucuronidase Activity, Which Is Required to Degrade Plant Biomass, Is Dependent on Conformational Flexibility*

    PubMed Central

    Rogowski, Artur; Baslé, Arnaud; Farinas, Cristiane S.; Solovyova, Alexandra; Mortimer, Jennifer C.; Dupree, Paul; Gilbert, Harry J.; Bolam, David N.

    2014-01-01

    The microbial degradation of the plant cell wall is an important biological process that is highly relevant to environmentally significant industries such as the bioenergy and biorefining sectors. A major component of the wall is glucuronoxylan, a β1,4-linked xylose polysaccharide that is decorated with α-linked glucuronic and/or methylglucuronic acid (GlcA/MeGlcA). Recently three members of a glycoside hydrolase family, GH115, were shown to hydrolyze MeGlcA side chains from the internal regions of xylan, an activity that has not previously been described. Here we show that a dominant member of the human microbiota, Bacteroides ovatus, contains a GH115 enzyme, BoAgu115A, which displays glucuronoxylan α-(4-O-methyl)-glucuronidase activity. The enzyme is significantly more active against substrates in which the xylose decorated with GlcA/MeGlcA is flanked by one or more xylose residues. The crystal structure of BoAgu115A revealed a four-domain protein in which the active site, comprising a pocket that abuts a cleft-like structure, is housed in the second domain that adopts a TIM barrel-fold. The third domain, a five-helical bundle, and the C-terminal β-sandwich domain make inter-chain contacts leading to protein dimerization. Informed by the structure of the enzyme in complex with GlcA in its open ring form, in conjunction with mutagenesis studies, the potential substrate binding and catalytically significant amino acids were identified. Based on the catalytic importance of residues located on a highly flexible loop, the enzyme is required to undergo a substantial conformational change to form a productive Michaelis complex with glucuronoxylan. PMID:24214982

  8. Antibody Binding Studies Reveal Conformational Flexibility of the Bacillus cereus Non-Hemolytic Enterotoxin (Nhe) A-Component

    PubMed Central

    Märtlbauer, E.

    2016-01-01

    The non-hemolytic enterotoxin complex (Nhe) is supposed to be the main virulence factor of B. cereus causing a diarrheal outcome of food poisoning. This tripartite toxin consists of the single components NheA, -B and -C all of them being necessary for maximum toxicity. In the past, research activities aiming to elucidate the mode-of-action of Nhe were mostly focused on the B- and C-component. In this study the generation of novel monoclonal antibodies (mAb) and their thorough characterization enabled the determination of key features for NheA. By the means of immunoaffinity chromatography it could be shown that NheA does not interact with -B and -C in solution. Additionally, the establishment of a highly sensitive sandwich-EIA now enables the detection of NheA in B. cereus supernatants down to 20 pg ml-1.Peptide-based epitope mapping in combination with partially deleted recombinant NheA fragments allowed the allocation of the binding regions for the three mAbs under study. Furthermore, by different EIA set-ups the conformational flexibility of NheA could be shown. For two of the antibodies under study different mechanisms of NheA neutralization were proven. Due to prevention of complete pore formation by one of the antibodies, NheA could be detected in an intermediate stage of the tripartite complex on the cell surface. Taken together, the results obtained in the present study allow a refinement of the mode-of-action for the Nhe toxin-complex. PMID:27768742

  9. Investigating the in Vitro Thermal Stability and Conformational Flexibility of Estrogen Receptors as Potential Key Factors of Their in Vivo Activity.

    PubMed

    Le Grand, Adélaïde; André-Leroux, Gwenaëlle; Marteil, Gaëlle; Duval, Hélène; Sire, Olivier; Le Tilly, Véronique

    2015-06-30

    Among hormone-inducible transcription factors, estrogen receptors (ERs) play important roles in tissue growth and differentiation, via either direct or indirect binding, in the nucleus, to specific DNA targets called estrogen responsive elements (EREs), or through nongenomic pathways. In humans, two estrogen receptor isoforms (hERs), designated hERα and hERβ, have been identified. These two hERs, encoded by genes located on distinct chromosomes, exhibit divergent tissue-specific functions and different subcellular distributions depending on their binding status, free or complexed to their cognate ligands. Because it is hypothesized that such distinct behaviors may arise from various conformational stabilities and flexibilities, the effect of salt concentration and temperature was studied on the free and estrogen-activated hERα and hERβ. Our results show that the conformational stability of hERβ is weakly modulated by salt concentration as opposed to hERα. In addition, we show that the estrogen-bound hERs exhibit a more constrained structure than the unliganded ones and that their conformational flexibility is more affected by diethylstilbestrol binding than that of estradiol, 4-hydroxytamoxifen, or raloxifen. In line with these results, conformational analysis and computational docking were performed on hERα and hERβ, which confer molecular support of a diethylstilbestrol-induced restrained flexibility as compared to other ligands. We found that Trp383 in hERα and Trp335 in hERβ can closely interact with the NR-box motif of the H12 helix and act as a gatekeeper of the agonist-bound versus antagonist-bound conformations. Altogether, our study contributes to an improved knowledge of the diverse physicochemical properties of full-length hERs, which will help in our understanding of their distinct cellular roles in various cellular contexts.

  10. Gamma-Ray Large Area Space Telescope- GLAST Mission Overview

    NASA Technical Reports Server (NTRS)

    Moiseev, Alexander A.

    2007-01-01

    This viewgraph presentation reviews the Gamma-ray Large Area Space Telescope (GLAST), and the instrumentation that will be on the spacecraft: Large Area Telescope (LAT) and GLAST Burst Monitor (GBM). The presentation revierws in detail the LAT instrument.

  11. Ligand Docking to Intermediate and Close-To-Bound Conformers Generated by an Elastic Network Model Based Algorithm for Highly Flexible Proteins

    PubMed Central

    Kurkcuoglu, Zeynep; Doruker, Pemra

    2016-01-01

    Incorporating receptor flexibility in small ligand-protein docking still poses a challenge for proteins undergoing large conformational changes. In the absence of bound structures, sampling conformers that are accessible by apo state may facilitate docking and drug design studies. For this aim, we developed an unbiased conformational search algorithm, by integrating global modes from elastic network model, clustering and energy minimization with implicit solvation. Our dataset consists of five diverse proteins with apo to complex RMSDs 4.7–15 Å. Applying this iterative algorithm on apo structures, conformers close to the bound-state (RMSD 1.4–3.8 Å), as well as the intermediate states were generated. Dockings to a sequence of conformers consisting of a closed structure and its “parents” up to the apo were performed to compare binding poses on different states of the receptor. For two periplasmic binding proteins and biotin carboxylase that exhibit hinge-type closure of two dynamics domains, the best pose was obtained for the conformer closest to the bound structure (ligand RMSDs 1.5–2 Å). In contrast, the best pose for adenylate kinase corresponded to an intermediate state with partially closed LID domain and open NMP domain, in line with recent studies (ligand RMSD 2.9 Å). The docking of a helical peptide to calmodulin was the most challenging case due to the complexity of its 15 Å transition, for which a two-stage procedure was necessary. The technique was first applied on the extended calmodulin to generate intermediate conformers; then peptide docking and a second generation stage on the complex were performed, which in turn yielded a final peptide RMSD of 2.9 Å. Our algorithm is effective in producing conformational states based on the apo state. This study underlines the importance of such intermediate states for ligand docking to proteins undergoing large transitions. PMID:27348230

  12. Llamas: Large-area microphone arrays and sensing systems

    NASA Astrophysics Data System (ADS)

    Sanz-Robinson, Josue

    Large-area electronics (LAE) provides a platform to build sensing systems, based on distributing large numbers of densely spaced sensors over a physically-expansive space. Due to their flexible, "wallpaper-like" form factor, these systems can be seamlessly deployed in everyday spaces. They go beyond just supplying sensor readings, but rather they aim to transform the wealth of data from these sensors into actionable inferences about our physical environment. This requires vertically integrated systems that span the entirety of the signal processing chain, including transducers and devices, circuits, and signal processing algorithms. To this end we develop hybrid LAE / CMOS systems, which exploit the complementary strengths of LAE, enabling spatially distributed sensors, and CMOS ICs, providing computational capacity for signal processing. To explore the development of hybrid sensing systems, based on vertical integration across the signal processing chain, we focus on two main drivers: (1) thin-film diodes, and (2) microphone arrays for blind source separation: 1) Thin-film diodes are a key building block for many applications, such as RFID tags or power transfer over non-contact inductive links, which require rectifiers for AC-to-DC conversion. We developed hybrid amorphous / nanocrystalline silicon diodes, which are fabricated at low temperatures (<200 °C) to be compatible with processing on plastic, and have high current densities (5 A/cm2 at 1 V) and high frequency operation (cutoff frequency of 110 MHz). 2) We designed a system for separating the voices of multiple simultaneous speakers, which can ultimately be fed to a voice-command recognition engine for controlling electronic systems. On a device level, we developed flexible PVDF microphones, which were used to create a large-area microphone array. On a circuit level we developed localized a-Si TFT amplifiers, and a custom CMOS IC, for system control, sensor readout and digitization. On a signal processing

  13. Fast mapping algorithm of lighting spectrum and GPS coordinates for a large area

    NASA Astrophysics Data System (ADS)

    Lin, Chih-Wei; Hsu, Ke-Fang; Hwang, Jung-Min

    2016-09-01

    In this study, we propose a fast rebuild technology for evaluating light quality in large areas. Outdoor light quality, which is measured by illuminance uniformity and the color rendering index, is difficult to conform after improvement. We develop an algorithm for a lighting quality mapping system and coordinates using a micro spectrometer and GPS tracker integrated with a quadcopter or unmanned aerial vehicle. After cruising at a constant altitude, lighting quality data is transmitted and immediately mapped to evaluate the light quality in a large area.

  14. Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis.

    PubMed

    Saravanan, Kandasamy; Kalaiarasi, Chinnasamy; Kumaradhas, Poomani

    2017-01-04

    Acetylcholinesterase (AChE) is an important enzyme responsible for Alzheimer's disease, as per report, keto-enol form of curcumin inhibits this enzyme. The present study aims to understand the binding mechanism of keto-enol curcumin with the recombinant human Acetylcholinesterase (rhAChE) from its conformational flexibility, intermolecular interactions, charge density distribution, and the electrostatic properties at the active site of rhAChE. To accomplish this, a molecular docking analysis of curcumin with the rhAChE was performed, which gives the structure and conformation of curcumin in the active site of rhAChE. Further, the charge density distribution and the electrostatic properties of curcumin molecule (lifted from the active site of rhAChE) were determined from the high level density functional theory (DFT) calculations coupled with the charge density analysis. On the other hand, the curcumin molecule was optimized (gas phase) using DFT method and further, the structure and charge density analysis were also carried out. On comparing the conformation, charge density distribution and the electrostatic potential of the active site form of curcumin with the corresponding gas phase form reveals that the above said properties are significantly altered when curcumin is present in the active site of rhAChE. The conformational stability and the interaction of curcumin in the active site are also studied using molecular dynamics simulation, which shows a large variation in the conformational geometry of curcumin as well as the intermolecular interactions.

  15. Conformational flexibility of a human immunoglobulin light chain variable domain by relaxation dispersion nuclear magnetic resonance spectroscopy: implications for protein misfolding and amyloid assembly.

    PubMed

    Mukherjee, Sujoy; Pondaven, Simon P; Jaroniec, Christopher P

    2011-07-05

    The conformational flexibility of a human immunoglobulin κIV light-chain variable domain, LEN, which can undergo conversion to amyloid under destabilizing conditions, was investigated at physiological and acidic pH on a residue-specific basis by multidimensional solution-state nuclear magnetic resonance (NMR) methods. Measurements of backbone chemical shifts and amide (15)N longitudinal and transverse spin relaxation rates and steady-state nuclear Overhauser enhancements indicate that, on the whole, LEN retains its native three-dimensional fold and dimeric state at pH 2 and that the protein backbone exhibits limited fast motions on the picosecond to nanosecond time scale. On the other hand, (15)N Carr--Purcell--Meiboom--Gill (CPMG) relaxation dispersion NMR data show that LEN experiences considerable slower, millisecond time scale dynamics, confined primarily to three contiguous segments of about 5-20 residues and encompassing the N-terminal β-strand and complementarity determining loop regions 2 and 3 in the vicinity of the dimer interface. Quantitative analysis of the CPMG relaxation dispersion data reveals that at physiological pH these slow backbone motions are associated with relatively low excited-state protein conformer populations, in the ~2-4% range. Upon acidification, the minor conformer populations increase significantly, to ~10-15%, with most residues involved in stabilizing interactions across the dimer interface displaying increased flexibility. These findings provide molecular-level insights about partial protein unfolding at low pH and point to the LEN dimer dissociation, initiated by increased conformational flexibility in several well-defined regions, as being one of the important early events leading to amyloid assembly.

  16. Fabrication of large area nanostructures with surface modified silica spheres

    NASA Astrophysics Data System (ADS)

    Kang, Kwang-Sun

    2014-03-01

    Surface modification of silica spheres with 3-(trimethoxysilyl)propylmethacrylate (TMSPM) has been performed at ambient condition. However, the FTIR spectra and field emission scanning electron microscope (FESEM) images show no evidence of the surface modification. The reaction temperatures were varied from 60 to 80 °C with various reaction periods. Small absorption shoulder of the CO stretching vibration was at 1700 cm-1, and slightly increased with the increase of the reaction time at 60 °C. The clear absorption peak appeared at 1698 cm-1 for the spheres reacted for 80 min at 70 °C and shifted toward 1720 cm-1 with the increase the reaction time. Strong absorption peak showed at 1698 cm-1 and shifted toward 1725 cm-1 with the increase of the reaction time at 80 °C. The spheres were dispersed to methanol and added photoinitiator (Irgacure-184). The solution was poured to a patterned glass substrate and exposed to the 254 nm UV-light during a self-assembly process. A large area and crack-free silica sphere film was formed. To increase the mechanical stability, a cellulose acetate solution was spin-coated to the film. The film was lift-off from the glass substrate to analyze the surface nanostructures. The surface nanostructures were maintained, and the film is stable enough to use as a mold to duplicate the nanopattern and flexible.

  17. GM130 is a parallel tetramer with a flexible rod-like structure and N-terminally open (Y-shaped) and closed (I-shaped) conformations.

    PubMed

    Ishida, Ryuichi; Yamamoto, Akitsugu; Nakayama, Kazuhisa; Sohda, Miwa; Misumi, Yoshio; Yasunaga, Takuo; Nakamura, Nobuhiro

    2015-06-01

    GM130 is a cytoplasmic peripheral membrane protein localized on the cis side of the Golgi apparatus. GM130 is proposed to function as a membrane skeleton, maintaining the structure of the Golgi apparatus, and as a vesicle tether that facilitates vesicle fusion to the Golgi membrane. More than 60% of the GM130 molecule is believed to exist as coiled-coil structures with a probability above 90%, based on its primary amino acid sequence. The predicted coiled-coil region was similar to that of yeast Uso1p and its mammalian homolog, p115, both of which form coiled-coil homodimers. Therefore, GM130 has long been thought to form a homodimer with a rod-like shape. However, our biochemical and electron microscopical analyses revealed that GM130 is a parallel homotetramer with a flexible rod-like structure with I- and Y-shaped conformations. The structure of the N-terminal region may interchange between an open conformation (branched or Y-shaped) and a closed conformation (non-branched or I-shaped), possibly with the help of interacting molecules. This conformational change may alter the oligomeric state of the GM130 molecules and the function of GM130 in the vesicle tethering and the maintenance of the Golgi structure. © 2015 FEBS.

  18. On the role of the conformational flexibility of the active-site lid on the allosteric kinetics of glucosamine-6-phosphate deaminase.

    PubMed

    Bustos-Jaimes, Ismael; Sosa-Peinado, Alejandro; Rudiño-Piñera, Enrique; Horjales, Eduardo; Calcagno, Mario L

    2002-05-24

    The active site of glucosamine-6-phosphate deaminase from Escherichia coli (GlcN6P deaminase, EC 3.5.99.6) has a complex lid formed by two antiparallel beta-strands connected by a helix-loop segment (158-187). This motif contains Arg172, which is a residue involved in binding the substrate in the active-site, and three residues that are part of the allosteric site, Arg158, Lys160 and Thr161. This dual binding role of the motif forming the lid suggests that it plays a key role in the functional coupling between active and allosteric sites. Previous crystallographic work showed that the temperature coefficients of the active-site lid are very large when the enzyme is in its T allosteric state. These coefficients decrease in the R state, thus suggesting that this motif changes its conformational flexibility as a consequence of the allosteric transition. In order to explore the possible connection between the conformational flexibility of the lid and the function of the deaminase, we constructed the site-directed mutant Phe174-Ala. Phe174 is located at the C-end of the lid helix and its side-chain establishes hydrophobic interactions with the remainder of the enzyme. The crystallographic structure of the T state of Phe174-Ala deaminase, determined at 2.02 A resolution, shows no density for the segment 162-181, which is part of the active-site lid (PDB 1JT9). This mutant form of the enzyme is essentially inactive in the absence of the allosteric activator, N-acetylglucosamine-6-P although it recovers its activity up to the wild-type level in the presence of this ligand. Spectrometric and binding studies show that inactivity is due to the inability of the active-site to bind ligands when the allosteric site is empty. These data indicate that the conformational flexibility of the active-site lid critically alters the binding properties of the active site, and that the occupation of the allosteric site restores the lid conformational flexibility to a functional state.

  19. Correlated motion of protein subdomains and large-scale conformational flexibility of RecA protein filament

    NASA Astrophysics Data System (ADS)

    Yu, Garmay; A, Shvetsov; D, Karelov; D, Lebedev; A, Radulescu; M, Petukhov; V, Isaev-Ivanov

    2012-02-01

    Based on X-ray crystallographic data available at Protein Data Bank, we have built molecular dynamics (MD) models of homologous recombinases RecA from E. coli and D. radiodurans. Functional form of RecA enzyme, which is known to be a long helical filament, was approximated by a trimer, simulated in periodic water box. The MD trajectories were analyzed in terms of large-scale conformational motions that could be detectable by neutron and X-ray scattering techniques. The analysis revealed that large-scale RecA monomer dynamics can be described in terms of relative motions of 7 subdomains. Motion of C-terminal domain was the major contributor to the overall dynamics of protein. Principal component analysis (PCA) of the MD trajectories in the atom coordinate space showed that rotation of C-domain is correlated with the conformational changes in the central domain and N-terminal domain, that forms the monomer-monomer interface. Thus, even though C-terminal domain is relatively far from the interface, its orientation is correlated with large-scale filament conformation. PCA of the trajectories in the main chain dihedral angle coordinate space implicates a co-existence of a several different large-scale conformations of the modeled trimer. In order to clarify the relationship of independent domain orientation with large-scale filament conformation, we have performed analysis of independent domain motion and its implications on the filament geometry.

  20. Glutamate Binding and Conformational Flexibility of Ligand-binding Domains Are Critical Early Determinants of Efficient Kainate Receptor Biogenesis

    PubMed Central

    Gill, Martin B.; Vivithanaporn, Pornpun; Swanson, Geoffrey T.

    2009-01-01

    Intracellular glutamate binding within the endoplasmic reticulum (ER) is thought to be necessary for plasma membrane expression of ionotropic glutamate receptors. Here we determined the importance of glutamate binding to folding and assembly of soluble ligand-binding domains (LBDs), as well as full-length receptors, by comparing the secretion of a soluble GluR6-S1S2 protein versus the plasma membrane localization of GluR6 kainate receptors following mutagenesis of the LBD. The mutations were designed to either eliminate glutamate binding, thereby trapping the bilobate LBD in an “open” conformation, or “lock” the LBD in a closed conformation with an engineered interdomain disulfide bridge. Analysis of plasma membrane localization, medium secretion of soluble LBD proteins, and measures of folding efficiency suggested that loss of glutamate binding affinity significantly impacted subunit protein folding and assembly. In contrast, receptors with conformationally restricted LBDs also exhibited decreased PM expression and altered oligomeric receptor assembly but did not exhibit any deficits in subunit folding. Secretion of the closed LBD protein was enhanced compared with wild-type GluR6-S1S2. Our results suggest that glutamate acts as a chaperone molecule for appropriate folding of nascent receptors and that relaxation of LBDs from fully closed states during oligomerization represents a critical transition that necessarily engages other determinants within receptor dimers. Glutamate receptor LBDs therefore must access multiple conformations for efficient biogenesis. PMID:19342380

  1. Printable Solid-State Lithium-Ion Batteries: A New Route toward Shape-Conformable Power Sources with Aesthetic Versatility for Flexible Electronics.

    PubMed

    Kim, Se-Hee; Choi, Keun-Ho; Cho, Sung-Ju; Choi, Sinho; Park, Soojin; Lee, Sang-Young

    2015-08-12

    Forthcoming flexible/wearable electronic devices with shape diversity and mobile usability garner a great deal of attention as an innovative technology to bring unprecedented changes in our daily lives. From the power source point of view, conventional rechargeable batteries (one representative example is a lithium-ion battery) with fixed shapes and sizes have intrinsic limitations in fulfilling design/performance requirements for the flexible/wearable electronics. Here, as a facile and efficient strategy to address this formidable challenge, we demonstrate a new class of printable solid-state batteries (referred to as "PRISS batteries"). Through simple stencil printing process (followed by ultraviolet (UV) cross-linking), solid-state composite electrolyte (SCE) layer and SCE matrix-embedded electrodes are consecutively printed on arbitrary objects of complex geometries, eventually leading to fully integrated, multilayer-structured PRISS batteries with various form factors far beyond those achievable by conventional battery technologies. Tuning rheological properties of SCE paste and electrode slurry toward thixotropic fluid characteristics, along with well-tailored core elements including UV-cured triacrylate polymer and high boiling point electrolyte, is a key-enabling technology for the realization of PRISS batteries. This process/material uniqueness allows us to remove extra processing steps (related to solvent drying and liquid-electrolyte injection) and also conventional microporous separator membranes, thereupon enabling the seamless integration of shape-conformable PRISS batteries (including letters-shaped ones) into complex-shaped objects. Electrochemical behavior of PRISS batteries is elucidated via an in-depth analysis of cell impedance, which provides a theoretical basis to enable sustainable improvement of cell performance. We envision that PRISS batteries hold great promise as a reliable and scalable platform technology to open a new concept of cell

  2. Use of cysteine-reactive crosslinkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers

    PubMed Central

    Prahlad, Janani; Hauser, David N.; Milkovic, Nicole M.; Cookson, Mark R.; Wilson, Mark A.

    2014-01-01

    The oxidation of a key cysteine residue (Cys106) in the parkinsonism-associated protein DJ-1 regulates its ability to protect against oxidative stress and mitochondrial damage. Cys106 interacts with a neighboring protonated Glu18 residue, stabilizing the Cys106-SO2− (sulfinic acid) form of DJ-1. To study this important post-translational modification, we previously designed several Glu18 mutations (E18N, E18D, E18Q) that alter the oxidative propensity of Cys106. However, recent results suggest these Glu18 mutations cause loss of DJ-1 dimerization, which would severely compromise the protein’s function. The purpose of this study was to conclusively determine the oligomerization state of these mutants using X-ray crystallography, NMR spectroscopy, thermal stability analysis, CD spectroscopy, sedimentation equilibrium ultracentrifugation, and crosslinking. We found that all of the Glu18 DJ-1 mutants were dimeric. Thiol crosslinking indicates that these mutant dimers are more flexible than the wild-type protein and can form multiple crosslinked dimeric species due to the transient exposure of cysteine residues that are inaccessible in the wild-type protein. The enhanced flexibility of Glu18 DJ-1 mutants provides a parsimonious explanation for their lower observed crosslinking efficiency in cells. In addition, thiol crosslinkers may have an underappreciated value as qualitative probes of protein conformational flexibility. PMID:24832775

  3. Essential role of the flexible linker on the conformational equilibrium of bacterial peroxiredoxin reductase for effective regeneration of peroxiredoxin.

    PubMed

    Kamariah, Neelagandan; Eisenhaber, Birgit; Eisenhaber, Frank; Gruber, Gerhard

    2017-03-07

    Reactive oxygen species (ROS) can damage DNA, proteins, and lipids, so cells have antioxidant systems that regulate ROS. In many bacteria, a dedicated peroxiredoxin reductase, alkyl hydroperoxide reductase subunit F (AhpF), catalyzes the rapid reduction of the redox-active disulfide center of the antioxidant protein peroxiredoxin (AhpC) to detoxify ROS such as hydrogen peroxide, organic hydroperoxide, and peroxynitrite. AhpF is a flexible multi-domain protein that enables a series of electron transfers among the redox centers by accepting reducing equivalents from NADH. A flexible linker connecting the N-terminal domain (NTD) and C-terminal domain (CTD) of AhpF suggests that the enzyme adopts a large-scale domain motion that alternates between the closed and open states to shuttle electrons from the CTD via the NTD to AhpC. Here, we conducted comprehensive mutational, biochemical, and biophysical analyses to gain insights into the role of the flexible linker and the residues critical for the domain motions of Escherichia coli AhpF (EcAhpF) during electron transfer. Small-angle X-ray scattering studies of linker mutants revealed that a group of charged residues, 200EKR202, is crucial for the swiveling motion of the NTD. Moreover, NADH binding significantly affected EcAhpF flexibility and the movement of the NTD relative to the CTD. The mutants also exhibited a decrease in H2O2 reduction by the AhpF-AhpC ensemble. We propose that a concerted movement involving the NTD, C-terminal NADH and FAD domains, and the flexible linker between them is essential for optimal intra-domain crosstalk and for efficient electron transfer to the redox partner AhpC required for peroxidation.

  4. Electronically reconfigurable and mechanically conformal apertures using low-voltage MEMS and flexible membranes for space-based radar applications

    NASA Astrophysics Data System (ADS)

    Bernhard, Jennifer T.; Chen, Nan-Wei; Clark, Randall; Feng, Milton; Liu, Chang; Mayes, Paul; Michielssen, Eric; Wang, Roy R.; Chorosinski, Leonard G.

    2001-08-01

    The University of Illinois and Northrop Grumman Corporation have teamed to integrate a wide band reconfigurable aperture array with associated wide band T/R functions on a flexible and foldable/rollable substrate for space based radar applications. Advanced MEMS and packaging techniques are used to make the antenna array lightweight, reliable, and reproducible. Soft flexible substrates make the antenna foldable/rollable with the associated electronics below the ground plane of the antenna elements. The individually reconfigurable antenna element uses MEMS switches to select between two broad frequency bands of operation. These MEMS switches have low actuation voltages and stress-free operation, improving the array's reliability. The reconfigurable antenna element is based on a low-profile radiator that provides greatly increased instantaneous bandwidth over microstrip patch antennas currently in place for phased array applications. Voltage-controlled MEMS switches are utilized to switch between stacked layers of elements that operate in the S- and X-bands. In each band, the antenna elements provide at least 25% instantaneous bandwidth. The challenges presented by the flexible substrate and the array design as well as experimental and simulated results for the antenna elements and switches are discussed.

  5. Antibiotic gold: tethering of antimicrobial peptides to gold nanoparticles maintains conformational flexibility of peptides and improves trypsin susceptibility.

    PubMed

    Wadhwani, Parvesh; Heidenreich, Nico; Podeyn, Benjamin; Bürck, Jochen; Ulrich, Anne S

    2017-03-09

    Peptide-coated nanoparticles are valuable tools for diverse biological applications, such as drug delivery, molecular recognition, and antimicrobial action. The functionalization of pre-fabricated nanoparticles with free peptides in solution is inefficient either due to aggregation of the particles or due to the poor ligand exchange reaction. Here, we present a one-pot synthesis for preparing gold nanoparticles with a homogeneous distribution that are covered in situ with cationic peptides in a site-selective manner via Cys-residue at the N-terminus. Five representative peptides were selected, which are known to perturb cellular membranes and exert their antimicrobial and/or cell penetrating activity by folding into amphiphilic α-helical structures. When tethered to the nanoparticles at a single site, all peptides were found to switch their conformation from unordered state (in aqueous buffers) to their functionally relevant α-helical conformation in the presence of model membranes, as shown by circular dichroism spectroscopy. The conjugated peptides also maintained the same antibacterial activity as in the free form. Most importantly, when tethered to the gold nanoparticles the peptides showed an enormous increase in stability against trypsin digestion compared to the free forms, leading to a dramatic improvement of their lifetimes and activities. These findings suggest that site-selective surface tethering of peptides to gold nanoparticles has several advantages: (i) it does not prevent the peptides from folding into their biologically active conformation, (ii) such conjugation protects the peptides against protease digestion, and (iii) this way it is possible to prepare stable, water soluble antimicrobial nanoparticles as promising antibacterial agents.

  6. Electronic sensor and actuator webs for large-area complex geometry cardiac mapping and therapy

    PubMed Central

    Kim, Dae-Hyeong; Ghaffari, Roozbeh; Lu, Nanshu; Wang, Shuodao; Lee, Stephen P.; Keum, Hohyun; D’Angelo, Robert; Klinker, Lauren; Su, Yewang; Lu, Chaofeng; Kim, Yun-Soung; Ameen, Abid; Li, Yuhang; Zhang, Yihui; de Graff, Bassel; Hsu, Yung-Yu; Liu, ZhuangJian; Ruskin, Jeremy; Xu, Lizhi; Lu, Chi; Omenetto, Fiorenzo G.; Huang, Yonggang; Mansour, Moussa; Slepian, Marvin J.; Rogers, John A.

    2012-01-01

    Curved surfaces, complex geometries, and time-dynamic deformations of the heart create challenges in establishing intimate, nonconstraining interfaces between cardiac structures and medical devices or surgical tools, particularly over large areas. We constructed large area designs for diagnostic and therapeutic stretchable sensor and actuator webs that conformally wrap the epicardium, establishing robust contact without sutures, mechanical fixtures, tapes, or surgical adhesives. These multifunctional web devices exploit open, mesh layouts and mount on thin, bio-resorbable sheets of silk to facilitate handling in a way that yields, after dissolution, exceptionally low mechanical moduli and thicknesses. In vivo studies in rabbit and pig animal models demonstrate the effectiveness of these device webs for measuring and spatially mapping temperature, electrophysiological signals, strain, and physical contact in sheet and balloon-based systems that also have the potential to deliver energy to perform localized tissue ablation. PMID:23150574

  7. Linking conformational flexibility and kinetics: catalytic 1,4-type Friedel-Crafts reactions of phenols utilizing 1,3-diamine-tethered guanidine/bisthiourea organocatalysts.

    PubMed

    Sohtome, Yoshihiro; Shin, Bongki; Horitsugi, Natsuko; Noguchi, Keiichi; Nagasawa, Kazuo

    2011-09-05

    Herein, we present details of our conformationally flexible, 1,3-diamine-tethered guanidine/bisthiourea organocatalysts for chemo-, regio-, and enantioselective 1,4-type Friedel-Crafts reactions of phenols. These organocatalysts show a unique stereo-discrimination governed by the differential activation entropy (ΔΔS(≠)), rather than by the differential activation enthalpy (ΔΔH(≠)). Extensive kinetic analyses using Eyring plots for a series of guanidine/bisthiourea organocatalysts revealed the key structural motif in the catalysts associated with a large magnitude of differential activation entropy (ΔΔS(≠)). A plausible guanidine-thiourea cooperative mechanism for the enantioselective Friedel-Crafts reaction is proposed.

  8. Protein flexibility and conformational state: a comparison of collective vibrational modes of wild-type and D96N bacteriorhodopsin.

    PubMed

    Whitmire, S E; Wolpert, D; Markelz, A G; Hillebrecht, J R; Galan, J; Birge, R R

    2003-08-01

    Far infrared (FIR) spectral measurements of wild-type (WT) and D96N mutant bacteriorhodopsin thin films have been carried out using terahertz time domain spectroscopy as a function of hydration, temperature, and conformational state. The results are compared to calculated spectra generated via normal mode analyses using CHARMM. We find that the FIR absorbance is slowly increasing with frequency and without strong narrow features over the range of 2-60 cm(-1) and up to a resolution of 0.17 cm(-1). The broad absorption shifts in frequency with decreasing temperature as expected with a strongly anharmonic potential and in agreement with neutron inelastic scattering results. Decreasing hydration shifts the absorption to higher frequencies, possibly resulting from decreased coupling mediated by the interior water molecules. Ground-state FIR absorbances have nearly identical frequency dependence, with the mutant having less optical density than the WT. In the M state, the FIR absorbance of the WT increases whereas there is no change for D96N. These results represent the first measurement of FIR absorbance change as a function of conformational state.

  9. Optical nano-woodpiles: large-area metallic photonic crystals and metamaterials

    NASA Astrophysics Data System (ADS)

    Ibbotson, Lindsey A.; Demetriadou, Angela; Croxall, Stephen; Hess, Ortwin; Baumberg, Jeremy J.

    2015-02-01

    Metallic woodpile photonic crystals and metamaterials operating across the visible spectrum are extremely difficult to construct over large areas, because of the intricate three-dimensional nanostructures and sub-50 nm features demanded. Previous routes use electron-beam lithography or direct laser writing but widespread application is restricted by their expense and low throughput. Scalable approaches including soft lithography, colloidal self-assembly, and interference holography, produce structures limited in feature size, material durability, or geometry. By multiply stacking gold nanowire flexible gratings, we demonstrate a scalable high-fidelity approach for fabricating flexible metallic woodpile photonic crystals, with features down to 10 nm produced in bulk and at low cost. Control of stacking sequence, asymmetry, and orientation elicits great control, with visible-wavelength band-gap reflections exceeding 60%, and with strong induced chirality. Such flexible and stretchable architectures can produce metamaterials with refractive index near zero, and are easily tuned across the IR and visible ranges.

  10. Large-area functionalized CVD graphene for work function matched transparent electrodes

    NASA Astrophysics Data System (ADS)

    Bointon, Thomas H.; Jones, Gareth F.; de Sanctis, Adolfo; Hill-Pearce, Ruth; Craciun, Monica F.; Russo, Saverio

    2015-11-01

    The efficiency of flexible photovoltaic and organic light emitting devices is heavily dependent on the availability of flexible and transparent conductors with at least a similar workfunction to that of Indium Tin Oxide. Here we present the first study of the work function of large area (up to 9 cm2) FeCl3 intercalated graphene grown by chemical vapour deposition on Nickel, and demonstrate values as large as 5.1 eV. Upon intercalation, a charge density per graphene layer of 5 ṡ 1013 ± 5 ṡ 1012 cm-2 is attained, making this material an attractive platform for the study of plasmonic excitations in the infrared wavelength spectrum of interest to the telecommunication industry. Finally, we demonstrate the potential of this material for flexible electronics in a transparent circuit on a polyethylene naphthalate substrate.

  11. Large-area functionalized CVD graphene for work function matched transparent electrodes

    PubMed Central

    Bointon, Thomas H.; Jones, Gareth F.; De Sanctis, Adolfo; Hill-Pearce, Ruth; Craciun, Monica F.; Russo, Saverio

    2015-01-01

    The efficiency of flexible photovoltaic and organic light emitting devices is heavily dependent on the availability of flexible and transparent conductors with at least a similar workfunction to that of Indium Tin Oxide. Here we present the first study of the work function of large area (up to 9 cm2) FeCl3 intercalated graphene grown by chemical vapour deposition on Nickel, and demonstrate values as large as 5.1 eV. Upon intercalation, a charge density per graphene layer of 5 ⋅ 1013 ± 5 ⋅ 1012 cm−2 is attained, making this material an attractive platform for the study of plasmonic excitations in the infrared wavelength spectrum of interest to the telecommunication industry. Finally, we demonstrate the potential of this material for flexible electronics in a transparent circuit on a polyethylene naphthalate substrate. PMID:26548711

  12. Large-area functionalized CVD graphene for work function matched transparent electrodes.

    PubMed

    Bointon, Thomas H; Jones, Gareth F; De Sanctis, Adolfo; Hill-Pearce, Ruth; Craciun, Monica F; Russo, Saverio

    2015-11-09

    The efficiency of flexible photovoltaic and organic light emitting devices is heavily dependent on the availability of flexible and transparent conductors with at least a similar workfunction to that of Indium Tin Oxide. Here we present the first study of the work function of large area (up to 9 cm(2)) FeCl3 intercalated graphene grown by chemical vapour deposition on Nickel, and demonstrate values as large as 5.1 eV. Upon intercalation, a charge density per graphene layer of 5 ⋅ 10(13) ± 5 ⋅ 10(12) cm(-2) is attained, making this material an attractive platform for the study of plasmonic excitations in the infrared wavelength spectrum of interest to the telecommunication industry. Finally, we demonstrate the potential of this material for flexible electronics in a transparent circuit on a polyethylene naphthalate substrate.

  13. Large-area synthesis of high-quality and uniform monolayer WS2 on reusable Au foils

    PubMed Central

    Gao, Yang; Liu, Zhibo; Sun, Dong-Ming; Huang, Le; Ma, Lai-Peng; Yin, Li-Chang; Ma, Teng; Zhang, Zhiyong; Ma, Xiu-Liang; Peng, Lian-Mao; Cheng, Hui-Ming; Ren, Wencai

    2015-01-01

    Large-area monolayer WS2 is a desirable material for applications in next-generation electronics and optoelectronics. However, the chemical vapour deposition (CVD) with rigid and inert substrates for large-area sample growth suffers from a non-uniform number of layers, small domain size and many defects, and is not compatible with the fabrication process of flexible devices. Here we report the self-limited catalytic surface growth of uniform monolayer WS2 single crystals of millimetre size and large-area films by ambient-pressure CVD on Au. The weak interaction between the WS2 and Au enables the intact transfer of the monolayers to arbitrary substrates using the electrochemical bubbling method without sacrificing Au. The WS2 shows high crystal quality and optical and electrical properties comparable or superior to mechanically exfoliated samples. We also demonstrate the roll-to-roll/bubbling production of large-area flexible films of uniform monolayer, double-layer WS2 and WS2/graphene heterostructures, and batch fabrication of large-area flexible monolayer WS2 film transistor arrays. PMID:26450174

  14. Smooth, seamless, and structured grid generation with flexibility in resolution distribution on a sphere based on conformal mapping and the spring dynamics method

    NASA Astrophysics Data System (ADS)

    Iga, Shin-ichi

    2015-09-01

    A generation method for smooth, seamless, and structured triangular grids on a sphere with flexibility in resolution distribution is proposed. This method is applicable to many fields that deal with a sphere on which the required resolution is not uniform. The grids were generated using the spring dynamics method, and adjustments were made using analytical functions. The mesh topology determined its resolution distribution, derived from a combination of conformal mapping factors: polar stereographic projection (PSP), Lambert conformal conic projection (LCCP), and Mercator projection (MP). Their combination generated, for example, a tropically fine grid that had a nearly constant high-resolution belt around the equator, with a gradual decrease in resolution distribution outside of the belt. This grid can be applied to boundary-less simulations of tropical meteorology. The other example involves a regionally fine grid with a nearly constant high-resolution circular region and a gradually decreasing resolution distribution outside of the region. This is applicable to regional atmospheric simulations without grid nesting. The proposed grids are compatible with computer architecture because they possess a structured form. Each triangle of the proposed grids was highly regular, implying a high local isotropy in resolution. Finally, the proposed grids were examined by advection and shallow water simulations.

  15. Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex-ab initio molecular dynamics simulations.

    PubMed

    Canaval, Lorenz R; Hadisaputra, Saprizal; Hofer, Thomas S

    2015-07-07

    Ab initio QMCF-MD simulations of aqueous 18-crown-6 (18C6) and strontium(II)-18-crown-6 (18C6-Sr) were performed to gather insight into their hydration properties. Strongly different characteristics were found for the two solutes in terms of structure and dynamics such as H-bonding. They, however, have in common that their backbone shows high flexibility in aqueous medium, adopting structures significantly differing from idealized gas phase geometries. In particular, planar oxyethylene units stable in the picosecond range occurred in 18C6, while the strontium complex readily exhibits a bent structure. Detailed analysis of this high flexibility was done via two dimensional root mean square deviation plots as well as the evolution of dihedral angles and angles within the simulation trajectory. The vibrational spectra obtained from the QMCF-MD simulations are in excellent agreement with experimental data and show a pronounced blueshift upon complexation of the strontium(II) ion in 18C6.

  16. Plasma and Ion Sources in Large Area Coatings: A Review

    SciTech Connect

    Anders, Andre

    2005-02-28

    Efficient deposition of high-quality coatings often requires controlled application of excited or ionized particles. These particles are either condensing (film-forming) or assisting by providing energy and momentum to the film growth process, resulting in densification, sputtering/etching, modification of stress, roughness, texture, etc. In this review, the technical means are surveyed enabling large area application of ions and plasmas, with ion energies ranging from a few eV to a few keV. Both semiconductortype large area (single wafer or batch processing with {approx} 1000 cm{sup 2}) and in-line web and glass-coating-type large area (> 10{sup 7} m{sup 2} annually) are considered. Characteristics and differences between plasma and ion sources are explained. The latter include gridded and gridless sources. Many examples are given, including sources based on DC, RF, and microwave discharges, some with special geometries like hollow cathodes and E x B configurations.

  17. Fabrication of Large Area Periodic Nanostructures Using Nanosphere Photolithography

    PubMed Central

    2008-01-01

    Large area periodic nanostructures exhibit unique optical and electronic properties and have found many applications, such as photonic band-gap materials, high dense data storage, and photonic devices. We have developed a maskless photolithography method—Nanosphere Photolithography (NSP)—to produce a large area of uniform nanopatterns in the photoresist utilizing the silica micro-spheres to focus UV light. Here, we will extend the idea to fabricate metallic nanostructures using the NSP method. We produced large areas of periodic uniform nanohole array perforated in different metallic films, such as gold and aluminum. The diameters of these nanoholes are much smaller than the wavelength of UV light used and they are very uniformly distributed. The method introduced here inherently has both the advantages of photolithography and self-assembled methods. Besides, it also generates very uniform repetitive nanopatterns because the focused beam waist is almost unchanged with different sphere sizes.

  18. Intrinsic Optical Activity and Conformational Flexibility: New Insights on the Role of Ring Morphology from Cyclic Amines

    NASA Astrophysics Data System (ADS)

    Craft, Clayton L.; Lemler, Paul M.; Vaccaro, Patrick

    2017-06-01

    Electronic circular birefringence (ECB), which causes rotation of the linear-polarization state for non-resonant light traversing an isotropic sample of chiral molecules, long has served as a robust means for assessing enantiomeric purity, but quantitative studies of this important property historically have been restricted to condensed phases where environmental effects (e.g., solvent-solute interactions or crystal-packing forces) can alter the magnitude and even the sign of the intrinsic behavior. As part of a continuing effort to elucidate the structural and electronic origins of such chiroptical phenomena, the dependence of optical rotatory dispersion (or wavelength-resolved ECB) on ring morphology has been explored for two saturated monocyclic amines, (R)-2-methylpyrrolidine and (S)-2-methylpiperidine. To assess the putative role of extrinsic perturbations, ambient measurements of specific optical rotation were performed under both solvated and isolated conditions, where the latter gas-phase work involved use of ultrasensitive cavity ring-down polarimetry. Each of the targeted compounds support active conformational degrees of freedom in the form of large-amplitude puckering motion of the heterocyclic ring combined with internal rotation of methyl substituents, with the antagonistic chiroptical properties exhibited by the resulting conformers combining to yield the overall response observed from a thermally equilibrated ensemble of molecules. Experimental ECB findings will be contrasted with those reported previously for ketones built upon comparable carbocyclic frameworks, and interpreted, in part, by reference to electronic-structure and linear-response calculations performed at various levels of quantum-chemical theory.

  19. Stability issues pertaining large area perovskite and dye-sensitized solar cells and modules

    NASA Astrophysics Data System (ADS)

    Castro-Hermosa, S.; Yadav, S. K.; Vesce, L.; Guidobaldi, A.; Reale, A.; Di Carlo, A.; Brown, T. M.

    2017-01-01

    Perovskite and dye-sensitized solar cells are PV technologies which hold promise for PV application. Arguably, the biggest issue facing these technologies is stability. The vast majority of studies have been limited to small area laboratory cells. Moisture, oxygen, UV light, thermal and electrical stresses are leading the degradation causes. There remains a shortage of stability investigations on large area devices, in particular modules. At the module level there exist particular challenges which can be different from those at the small cell level such as encapsulation (not only of the unit cells but of interconnections and contacts), non-uniformity of the layer stacks and unit cells, reverse bias stresses, which are important to investigate for technologies that aim for industrial acceptance. Herein we present a review of stability investigations published in the literature pertaining large area perovskite and dye-sensitized solar devices fabricated both on rigid (glass) and flexible substrates.

  20. Preparation of large-area double-walled carbon nanotube films and application as film heater

    NASA Astrophysics Data System (ADS)

    Wu, Zi Ping; Wang, Jian Nong

    2009-11-01

    Large-area (larger than 30×30 cm 2) double-walled carbon nanotube (DWCNT) films are prepared and application as a heating element for film heaters is demonstrated. A high heating efficiency is observed. Measurements indicate that the use of the DWCNT film heater would save energy consumption up to 20-30% when compared with a commercial film-like metal-based heater. Morphological analysis reveals that the special surface structure, appropriate electric and high thermal conductivities of the film formed by the network of entangled nanotube bundles may lead to the high heating performance. Considering large-area, shape flexibility, negligible weight and easy manipulation, the film exhibits promising potential applications as a film heater for thermal control in aircrafts, medical equipment, home appliances and other industrial fields at low temperature (below 400 °C).

  1. Construction of helical coordination polymers via flexible conformers of bis(3-pyridyl)cyclotetramethylenesilane: metal(ii) and halogen effects on luminescence, thermolysis and catalysis.

    PubMed

    Kim, Hyeun; Park, Minwoo; Lee, Haeri; Jung, Ok-Sang

    2015-05-07

    Infinite rectangular-tubular helices, [MX2L] (M = Zn(ii), Hg(ii); X(-) = Cl(-), Br(-); L = bis(3-pyridyl)cyclotetramethylenesilane), have been efficiently constructed via the combined effects of the potential flexible conformers of L and the tetrahedral geometry of M(ii) ions. This helical molecular system affords a racemic mixture of P- and M-helices in a crystal. The helical pitches (7.8934(4)-8.1560(2) Å) that are sensitive to the nature of M(ii) ions and halide anions are attributable to subtle change in the flexible dihedral angles between the two pyridyl groups around Si and the M(ii) hinges. Their photoluminescence intensities, correspondingly, are in the order [ZnCl2L] > [ZnBr2L] ≫ [HgCl2L] > [HgBr2L]. Zinc(ii) complexes show recyclable catalytic effects on the transesterification reaction in the order [ZnCl2L] > [ZnBr2L]. Calcination of [ZnCl2L] and [ZnBr2L] at 500 °C produces uniform hexagonal tubular spire crystals of 1.2 × 1.2 × 4.0 μm(3) dimensions and spheres, respectively.

  2. Large-area metallic photonic lattices for military applications.

    SciTech Connect

    Luk, Ting Shan

    2007-11-01

    In this project we developed photonic crystal modeling capability and fabrication technology that is scaleable to large area. An intelligent optimization code was developed to find the optimal structure for the desired spectral response. In terms of fabrication, an exhaustive survey of fabrication techniques that would meet the large area requirement was reduced to Deep X-ray Lithography (DXRL) and nano-imprint. Using DXRL, we fabricated a gold logpile photonic crystal in the <100> plane. For the nano-imprint technique, we fabricated a cubic array of gold squares. These two examples also represent two classes of metallic photonic crystal topologies, the connected network and cermet arrangement.

  3. Large area high-speed metrology SPM system

    NASA Astrophysics Data System (ADS)

    Klapetek, P.; Valtr, M.; Picco, L.; Payton, O. D.; Martinek, J.; Yacoot, A.; Miles, M.

    2015-02-01

    We present a large area high-speed measuring system capable of rapidly generating nanometre resolution scanning probe microscopy data over mm2 regions. The system combines a slow moving but accurate large area XYZ scanner with a very fast but less accurate small area XY scanner. This arrangement enables very large areas to be scanned by stitching together the small, rapidly acquired, images from the fast XY scanner while simultaneously moving the slow XYZ scanner across the region of interest. In order to successfully merge the image sequences together two software approaches for calibrating the data from the fast scanner are described. The first utilizes the low uncertainty interferometric sensors of the XYZ scanner while the second implements a genetic algorithm with multiple parameter fitting during the data merging step of the image stitching process. The basic uncertainty components related to these high-speed measurements are also discussed. Both techniques are shown to successfully enable high-resolution, large area images to be generated at least an order of magnitude faster than with a conventional atomic force microscope.

  4. Spatially explicit shallow landslide susceptibility mapping over large areas

    Treesearch

    Dino Bellugi; William E. Dietrich; Jonathan Stock; Jim McKean; Brian Kazian; Paul Hargrove

    2011-01-01

    Recent advances in downscaling climate model precipitation predictions now yield spatially explicit patterns of rainfall that could be used to estimate shallow landslide susceptibility over large areas. In California, the United States Geological Survey is exploring community emergency response to the possible effects of a very large simulated storm event and to do so...

  5. Large area, low cost solar cell development and production readiness

    NASA Technical Reports Server (NTRS)

    Michaels, D.

    1982-01-01

    A process sequence for a large area ( or = 25 sq. cm) silicon solar cell was investigated. Generic cell choice was guided by the expected electron fluence, by the packing factors of various cell envelope designs onto each panel to provide needed voltage as well as current, by the weight constraints on the system, and by the cost goals of the contract.

  6. Large-area graphene films by simple solution casting of edge-selectively functionalized graphite.

    PubMed

    Bae, Seo-Yoon; Jeon, In-Yup; Yang, Jieun; Park, Noejung; Shin, Hyeon Suk; Park, Sungjin; Ruoff, Rodney S; Dai, Liming; Baek, Jong-Beom

    2011-06-28

    We report edge-selective functionalization of graphite (EFG) for the production of large-area uniform graphene films by simply solution-casting EFG dispersions in dichloromethane on silicon oxide substrates, followed by annealing. The resultant graphene films show ambipolar transport properties with sheet resistances of 0.52-3.11 kΩ/sq at 63-90% optical transmittance. EFG allows solution processing methods for the scalable production of electrically conductive, optically transparent, and mechanically robust flexible graphene films for use in practice.

  7. Exploring the atomic structure and conformational flexibility of a 320 Å long engineered viral fiber using X-ray crystallography

    SciTech Connect

    Bhardwaj, Anshul; Casjens, Sherwood R.; Cingolani, Gino

    2014-02-01

    This study presents the crystal structure of a ∼320 Å long protein fiber generated by in-frame extension of its repeated helical coiled-coil core. Protein fibers are widespread in nature, but only a limited number of high-resolution structures have been determined experimentally. Unlike globular proteins, fibers are usually recalcitrant to form three-dimensional crystals, preventing single-crystal X-ray diffraction analysis. In the absence of three-dimensional crystals, X-ray fiber diffraction is a powerful tool to determine the internal symmetry of a fiber, but it rarely yields atomic resolution structural information on complex protein fibers. An 85-residue-long minimal coiled-coil repeat unit (MiCRU) was previously identified in the trimeric helical core of tail needle gp26, a fibrous protein emanating from the tail apparatus of the bacteriophage P22 virion. Here, evidence is provided that an MiCRU can be inserted in frame inside the gp26 helical core to generate a rationally extended fiber (gp26-2M) which, like gp26, retains a trimeric quaternary structure in solution. The 2.7 Å resolution crystal structure of this engineered fiber, which measures ∼320 Å in length and is only 20–35 Å wide, was determined. This structure, the longest for a trimeric protein fiber to be determined to such a high resolution, reveals the architecture of 22 consecutive trimerization heptads and provides a framework to decipher the structural determinants for protein fiber assembly, stability and flexibility.

  8. Characterization testing of large area solar cell assemblies

    NASA Astrophysics Data System (ADS)

    Fodor, Jay S.; Gelb, Steven W.; Goldhammer, Leland J.; Goodelle, George S.; Judson, Audrey L.

    A complete characterization program has been performed on two large area (7 cm x 6 cm) solar cell types which will be used on the Hughes HS 393 satellite solar arrays. Each type was subjected to a series of tests which provided the data needed to accurately predict the solar array performance at end of life and demonstrated the mechanical integrity of the device. Characterization data presented include optical properties of the devices, cell current-voltage characteristics as a function of temperature and angle of light incidence, and solar cell performance after electron irradiation. Mechanical data presented include the results of cell strength tests, contact solderability tests, and coupon thermal cycling tests. The results indicate that the large-area solar cells are mechanically equivalent and electrically superior to cells of conventional size previously characterized.

  9. Progress on large-area polarization grating fabrication

    NASA Astrophysics Data System (ADS)

    Miskiewicz, Matthew N.; Kim, Jihwan; Li, Yanming; Komanduri, Ravi K.; Escuti, Michael J.

    2012-06-01

    Over the last several years, we have pioneered liquid crystal polarization gratings (PGs), in both switchable and polymer versions. We have also introduced their use in many applications, including mechanical/non-mechanical laser beam steering and polarization imaging/sensing. Until now, conventional holographic congurations were used to create PGs where the diameter of the active area was limited to 1-2 inches. In this paper, we discuss a new holography setup to fabricate large area PGs using spherical waves as the diverging coherent beams. Various design parameters of this setup are examined for impact on the quality of the recorded PG profile. Using this setup, we demonstrate a large area polymer PG with approximately 66 inch square area, and present detailed characterization.

  10. Detection of Steel Fatigue Cracks with Strain Sensing Sheets Based on Large Area Electronics

    PubMed Central

    Yao, Yao; Glisic, Branko

    2015-01-01

    Reliable early-stage damage detection requires continuous monitoring over large areas of structure, and with sensors of high spatial resolution. Technologies based on Large Area Electronics (LAE) can enable direct sensing and can be scaled to the level required for Structural Health Monitoring (SHM) of civil structures and infrastructure. Sensing sheets based on LAE contain dense arrangements of thin-film strain sensors, associated electronics and various control circuits deposited and integrated on a flexible polyimide substrate that can cover large areas of structures. This paper presents the development stage of a prototype strain sensing sheet based on LAE for crack detection and localization. Two types of sensing-sheet arrangements with size 6 × 6 inch (152 × 152 mm) were designed and manufactured, one with a very dense arrangement of sensors and the other with a less dense arrangement of sensors. The sensing sheets were bonded to steel plates, which had a notch on the boundary, so the fatigue cracks could be generated under cyclic loading. The sensors within the sensing sheet that were close to the notch tip successfully detected the initialization of fatigue crack and localized the damage on the plate. The sensors that were away from the crack successfully detected the propagation of fatigue cracks based on the time history of the measured strain. The results of the tests have validated the general principles of the proposed sensing sheets for crack detection and identified advantages and challenges of the two tested designs. PMID:25853407

  11. Updateable 3D Display Using Large Area Photorefractive Polymer Devices

    DTIC Science & Technology

    2013-04-01

    holography , photorefractive polymers, 3D display, large area displays, 3D visualization, 3D rendering, dye-doped polymers U U U SAR 38 Charles Lee (703) 696...Symposium on Display Holography (ISDH 2012), MIT Media Lab, Boston MA, June 2012.  Pierre St Hilaire et al., “Are stereograms holograms? A human...perception analysis of sampled perspective holography ” 9th International Symposium on Display Holography (ISDH 2012), MIT Media Lab, Boston MA, June 2012

  12. Fiber-optic large area average temperature sensor

    SciTech Connect

    Looney, L.L.; Forman, P.R.

    1994-05-01

    In many instances the desired temperature measurement is only the spatial average temperature over a large area; eg. ground truth calibration for satellite imaging system, or average temperature of a farm field. By making an accurate measurement of the optical length of a long fiber-optic cable, we can determine the absolute temperature averaged over its length and hence the temperature of the material in contact with it.

  13. Characterization of Large Area APDs for the EXO-200 Detector

    SciTech Connect

    Neilson, R.; LePort, F.; Pocar, A.; Kumar, K.; Odian, A.; Prescott, C.Y.; Tenev, V.; Ackerman, N.; Akimov, D.; Auger, M.; Benitez-Medina, C.; Breidenbach, M.; Burenkov, A.; Conley, R.; Cook, S.; deVoe, R.; Dolinski, M.J.; Fairbank, W., Jr.; Farine, J.; Fierlinger, P.; Flatt, B.; /Stanford U., Phys. Dept. /Bern U., LHEP /Stanford U., Phys. Dept. /Maryland U. /Colorado State U. /Laurentian U. /Carleton U. /SLAC /Maryland U. /Moscow, ITEP /Alabama U. /SLAC /Colorado State U. /Stanford U., Phys. Dept. /Alabama U. /Stanford U., Phys. Dept. /Alabama U. /SLAC /Carleton U. /SLAC /Maryland U. /Moscow, ITEP /Carleton U. /Stanford U., Phys. Dept. /Bern U., LHEP /SLAC /Laurentian U. /SLAC /Maryland U.

    2011-12-02

    EXO-200 uses 468 large area avalanche photodiodes (LAAPDs) for detection of scintillation light in an ultra-low-background liquid xenon (LXe) detector. We describe initial measurements of dark noise, gain and response to xenon scintillation light of LAAPDs at temperatures from room temperature to 169 K - the temperature of liquid xenon. We also describe the individual characterization of more than 800 LAAPDs for selective installation in the EXO-200 detector.

  14. High Energy Astrophysics with the Fermi Large Area Telescope

    NASA Technical Reports Server (NTRS)

    Hays, Elizabeth

    2009-01-01

    This slide presentation reviews some of the findings of the Large Area Telescope (LAT) aboard the Fermi Observatory. It includes information about the LAT, and the Gamma-Ray Burst Monitor (GBM), detection of the quiet sun and the moon in gamma rays, Pulsars observed by the observatory, Globular Star Clusters, Active Galactic Nucleus, and Gamma-Ray Bursts, with specific information about GRB 080916C.

  15. Modeling a Dry Etch Process for Large-Area Devices

    SciTech Connect

    Buss, R.J.; Hebner, G.A.; Ruby, D.S.; Yang, P.

    1999-07-28

    There has been considerable interest in developing dry processes which can effectively replace wet processing in the manufacture of large area photovoltaic devices. Environmental and health issues are a driver for this activity because wet processes generally increase worker exposure to toxic and hazardous chemicals and generate large volumes of liquid hazardous waste. Our work has been directed toward improving the performance of screen-printed solar cells while using plasma processing to reduce hazardous chemical usage.

  16. Development of large-area CZT detector systems

    NASA Astrophysics Data System (ADS)

    Kuvvetli, Irfan; Budtz-Joergensen, Carl C.; Westergaard, Niels J.; Jonasson, Per; van Pamelen, Mike A.; Reglero, Victor; Eyles, Christopher J.; Neubert, Torsten

    1999-10-01

    DSRI has initiated a development program of CZT x-ray and gamma ray detectors employing strip readout techniques. A dramatic improvement of the energy response was found operating the detectors as so-called drift detectors. For the electronic readout, modern ASIC chips were investigated. Modular design and the low power electronics will make large area detectors using the drift strip method feasible. The performance of a prototype CZT system will be presented and discussed.

  17. Advanced Large Area Plastic Scintillator Project (ALPS): Final Report

    SciTech Connect

    Jordan, David V.; Reeder, Paul L.; Todd, Lindsay C.; Warren, Glen A.; McCormick, Kathleen R.; Stephens, Daniel L.; Geelhood, Bruce D.; Alzheimer, James M.; Crowell, Shannon L.; Sliger, William A.

    2008-02-05

    The advanced Large-Area Plastic Scintillator (ALPS) Project at Pacific Northwest National Laboratory investigated possible technological avenues for substantially advancing the state-of-the-art in gamma-ray detection via large-area plastic scintillators. The three predominant themes of these investigations comprised the following: * Maximizing light collection efficiency from a single large-area sheet of plastic scintillator, and optimizing hardware event trigger definition to retain detection efficiency while exploiting the power of coincidence to suppress single-PMT "dark current" background; * Utilizing anti-Compton vetoing and supplementary spectral information from a co-located secondary, or "Back" detector, to both (1) minimize Compton background in the low-energy portion of the "Front" scintillator's pulse-height spectrum, and (2) sharpen the statistical accuracy of the front detector's low-energy response prediction as impelmented in suitable energy-windowing algorithms; and * Investigating alternative materials to enhance the intrinsic gamma-ray detection efficiency of plastic-based sensors.

  18. Paper-like electronic displays: Large-area rubber-stamped plastic sheets of electronics and microencapsulated electrophoretic inks

    PubMed Central

    Rogers, John A.; Bao, Zhenan; Baldwin, Kirk; Dodabalapur, Ananth; Crone, Brian; Raju, V. R.; Kuck, Valerie; Katz, Howard; Amundson, Karl; Ewing, Jay; Drzaic, Paul

    2001-01-01

    Electronic systems that use rugged lightweight plastics potentially offer attractive characteristics (low-cost processing, mechanical flexibility, large area coverage, etc.) that are not easily achieved with established silicon technologies. This paper summarizes work that demonstrates many of these characteristics in a realistic system: organic active matrix backplane circuits (256 transistors) for large (≈5 × 5-inch) mechanically flexible sheets of electronic paper, an emerging type of display. The success of this effort relies on new or improved processing techniques and materials for plastic electronics, including methods for (i) rubber stamping (microcontact printing) high-resolution (≈1 μm) circuits with low levels of defects and good registration over large areas, (ii) achieving low leakage with thin dielectrics deposited onto surfaces with relief, (iii) constructing high-performance organic transistors with bottom contact geometries, (iv) encapsulating these transistors, (v) depositing, in a repeatable way, organic semiconductors with uniform electrical characteristics over large areas, and (vi) low-temperature (≈100°C) annealing to increase the on/off ratios of the transistors and to improve the uniformity of their characteristics. The sophistication and flexibility of the patterning procedures, high level of integration on plastic substrates, large area coverage, and good performance of the transistors are all important features of this work. We successfully integrate these circuits with microencapsulated electrophoretic “inks” to form sheets of electronic paper. PMID:11320233

  19. Research Update: Large-area deposition, coating, printing, and processing techniques for the upscaling of perovskite solar cell technology

    NASA Astrophysics Data System (ADS)

    Razza, Stefano; Castro-Hermosa, Sergio; Di Carlo, Aldo; Brown, Thomas M.

    2016-09-01

    To bring perovskite solar cells to the industrial world, performance must be maintained at the photovoltaic module scale. Here we present large-area manufacturing and processing options applicable to large-area cells and modules. Printing and coating techniques, such as blade coating, slot-die coating, spray coating, screen printing, inkjet printing, and gravure printing (as alternatives to spin coating), as well as vacuum or vapor based deposition and laser patterning techniques are being developed for an effective scale-up of the technology. The latter also enables the manufacture of solar modules on flexible substrates, an option beneficial for many applications and for roll-to-roll production.

  20. Wearable light management system for light stimulated healing of large area chronic wounds (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Kallweit, David; Mayer, Jan; Fricke, Sören; Schnieper, Marc; Ferrini, Rolando

    2016-03-01

    Chronic wounds represent a significant burden to patients, health care professionals, and health care systems, affecting over 40 million patients and creating costs of approximately 40 billion € annually. We will present a medical device for photo-stimulated wound care based on a wearable large area flexible and disposable light management system consisting of a waveguide with incorporated micro- and nanometer scale optical structures for efficient light in-coupling, waveguiding and homogeneous illumination of large area wounds. The working principle of this innovative device is based on the therapeutic effects of visible light to facilitate the self-healing process of chronic wounds. On the one hand, light exposure in the red (656nm) induces growth of keratinocytes and fibroblasts in deeper layers of the skin. On the other hand, blue light (453nm) is known to have antibacterial effects predominately at the surface layers of the skin. In order to be compliant with medical requirements the system will consist of two elements: a disposable wound dressing with embedded flexible optical waveguides for the light management and illumination of the wound area, and a non-disposable compact module containing the light sources, a controller, a rechargeable battery, and a data transmission unit. In particular, we will report on the developed light management system. Finally, as a proof-of-concept, a demonstrator will be presented and its performances will be reported to demonstrate the potential of this innovative device.

  1. Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.

    PubMed

    Nicasio, Antonio I; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P; Galindo, Agustín

    2017-01-03

    Different novel coordination polymers containing zinc, 1-4, and copper, 5-8, metals, connected via chiral imidazolium-based dicarboxylate ligands, [L(R)](-), were isolated by reaction between zinc acetate or copper acetate and enantiomerically pure HL(R) compounds. They were characterised and structurally identified by X-ray diffraction methods (single crystal and powder). These compounds are two-dimensional homochiral coordination polymers, [M(L(R))2]n, in which the metal ions are coordinated by the two carboxylate groups of [L(R)](-) anions in a general bridging monodentate μ(2)-κ(1)-O(1),κ(1)-O(3) fashion that afforded tetrahedral metal coordination environments for zinc, 1-4, and square planar for copper, 5-8, complexes. In all the compounds the 3D supramolecular architecture is constructed by non-covalent interactions between the hydrophobic parts (R groups) of the homochiral 2D coordination polymers and, in some cases, by weak C-HO non-classical hydrogen bonds that provided, in general, a dense crystal packing. DFT calculations on the [L(R)](-) anions confirmed their conformational flexibility as ditopic linkers and this fact makes possible the formation of different coordination polymers for four-coordinated metal centers. Preliminary studies on the Zn-catalyzed synthesis of chiral α-aminophosphonates were carried out and, unfortunately, no enantioselectivity was observed in these reactions.

  2. Development of a large area microstructure photomultiplier assembly (LAMPA)

    NASA Astrophysics Data System (ADS)

    Clifford, E. T. H.; Dick, M.; Facina, M.; Wakeford, D.; Andrews, H. R.; Ing, H.; Best, D.; Baginski, M. J.

    2017-05-01

    Large area (> m2) position-sensitive readout of scintillators is important for passive/active gamma and neutron imaging for counter-terrorism applications. The goal of the LAMPA project is to provide a novel, affordable, large-area photodetector (8" x 8") by replacing the conventional dynodes of photomultiplier tubes (PMTs) with electron multiplier microstructure boards (MSBs) that can be produced using industrial manufacturing techniques. The square, planar format of the LAMPA assemblies enables tiling of multiple units to support large area applications. The LAMPA performance objectives include comparable gain, noise, timing, and energy resolution relative to conventional PMTs, as well as spatial resolution in the few mm range. The current LAMPA prototype is a stack of 8" x 8" MSBs made commercially by chemical etching of a molybdenum substrate and coated with hydrogen-terminated boron-doped diamond for high secondary emission yield (SEY). The layers of MSBs are electrically isolated using ceramic standoffs. Field-shaping grids are located between adjacent boards to achieve good transmission of electrons from one board to the next. The spacing between layers and the design of the microstructure pattern and grids were guided by simulations performed using an electro-optics code. A position sensitive anode board at the back of the stack of MSBs provides 2-D readout. This presentation discusses the trade studies performed in the design of the MSBs, the measurements of SEY from various electro-emissive materials, the electro-optics simulations conducted, the design of the 2-D readout, and the mechanical aspects of the LAMPA design, in order to achieve a gain of > 104 in an 8-stage stack of MSBs, suitable for use with various scintillators when coupled to an appropriate photocathode.

  3. Pilot Production of Large Area Microchannel Plates and Picosecond Photodetectors

    NASA Astrophysics Data System (ADS)

    Minot, M.; Adams, B.; Abiles, M.; Bond, J.; Craven, C.; Cremer, T.; Foley, M.; Lyashenko, A.; Popecki, M.; Stochaj, M.; Worstell, W.; Elam, J.; Mane, A.; Siegmund, O.; Ertley, C.

    2016-09-01

    Pilot production performance is reported for large area atomic layer deposition (ALD) coated microchannel plates (ALD-GCA-MCPs) and for Large Area Picosecond Photodetectors (LAPPD™) which incorporate them. "Hollowcore" glass capillary array (GCA) substrates are coated with ALD resistive and emissive layers to form the ALDGCA- MCPs, an approach that facilitates independent selection of glass substrates that are mechanically stronger and that have lower levels of radioactive alkali elements compared to conventional MCP lead glass, reducing background noise[1,2,3,4]. ALD-GCA-MCPs have competitive gain ( 104 each or 107 for a chevron pair ), enhanced lifetime and gain stability (7 C cm-2 of charge extraction), reduced background levels (0.028 events cm-2 sec-1) and low gamma-ray detection efficiency. They can be fabricated in large area (20cm X 20 cm) planar and curved formats suitable for use in high radiation environment applications, including astronomy, space instrumentation, and remote night time sensing. The LAPPD™ photodetector incorporates these ALD-GCA-MCPs in an all-glass hermetic package with top and bottom plates and sidewalls made of borosilicate float glass. Signals are generated by a bi-alkali Na2KSb photocathode, amplified with a stacked chevron pair of ALD-GCA-MCPs. Signals are collected on RF strip-line anodes integrated into to the bottom plates which exit the detector via pin-free hermetic seals under the side walls [5]. Tests show that LAPPDTMs have electron gains greater than 107, submillimeter spatial resolution for large (multiphoton) pulses and several mm for single photons, time resolution less than 50 picoseconds for single photons, predicted resolution less than 5 picoseconds for large pulses, high stability versus charge extraction[6], and good uniformity for applications including astrophysics, neutron detection, high energy physics Cherenkov light detection, and quantum-optical photon-correlation experiments.

  4. Uniformity studies in large area triple-GEM based detectors

    NASA Astrophysics Data System (ADS)

    Akl, M. Abi; Bouhali, O.; Castaneda, A.; Maghrbi, Y.; Mohamed, T.

    2016-10-01

    Gas Electron Multiplier (GEM) based detectors have been used in many applications since their introduction in 1997. Large areas, e.g. exceeding 30×30 cm2, of GEM detectors are foreseen in future experiments which puts stringent requirements on the uniformity of response across the detection area. We investigate the effect of small variations of several parameters that could affect the uniformity. Parameters such as the anode pitch, the gas gap, the size and the shape of the holes are investigated. Simulation results are presented and compared to previous experimental data.

  5. Method of manufacturing a large-area segmented photovoltaic module

    DOEpatents

    Lenox, Carl

    2013-11-05

    One embodiment of the invention relates to a segmented photovoltaic (PV) module which is manufactured from laminate segments. The segmented PV module includes rectangular-shaped laminate segments formed from rectangular-shaped PV laminates and further includes non-rectangular-shaped laminate segments formed from rectangular-shaped and approximately-triangular-shaped PV laminates. The laminate segments are mechanically joined and electrically interconnected to form the segmented module. Another embodiment relates to a method of manufacturing a large-area segmented photovoltaic module from laminate segments of various shapes. Other embodiments relate to processes for providing a photovoltaic array for installation at a site. Other embodiments and features are also disclosed.

  6. Application issues for large-area electrochromic windows incommercial buildings

    SciTech Connect

    Lee, Eleanor S.; DiBartolomeo, D.L.

    2000-05-01

    Projections of performance from small-area devices to large-area windows and enterprise marketing have created high expectations for electrochromic glazings. As a result, this paper seeks to precipitate an objective dialog between material scientists and building-application scientists to determine whether actual large-area electrochromic devices will result in significant performance benefits and what material improvements are needed, if any, to make electrochromics more practical for commercial building applications. Few in-situ tests have been conducted with large-area electrochromic windows applied in buildings. This study presents monitored results from a full-scale field test of large-area electrochromic windows to illustrate how this technology will perform in commercial buildings. The visible transmittance (Tv) of the installed electrochromic ranged from 0.11 to 0.38. The data are limited to the winter period for a south-east-facing window. The effect of actual device performance on lighting energy use, direct sun control, discomfort glare, and interior illumination is discussed. No mechanical system loads were monitored. These data demonstrate the use of electrochromics in a moderate climate and focus on the most restrictive visual task: computer use in offices. Through this small demonstration, we were able to determine that electrochromic windows can indeed provide unmitigated transparent views and a level of dynamic illumination control never before seen in architectural glazing materials. Daily lighting energy use was 6-24 percent less compared to the 11 percent-glazing, with improved interior brightness levels. Daily lighting energy use was 3 percent less to 13 percent more compared to the 38 percent-glazing, with improved window brightness control. The electrochromic window may not be able to fulfill both energy-efficiency and visual comfort objectives when low winter direct sun is present, particularly for computer tasks using cathode-ray tube (CRT

  7. Large area, surface discharge pumped, vacuum ultraviolet light source

    DOEpatents

    Sze, Robert C.; Quigley, Gerard P.

    1996-01-01

    Large area, surface discharge pumped, vacuum ultraviolet (VUV) light source. A contamination-free VUV light source having a 225 cm.sup.2 emission area in the 240-340 nm region of the electromagnetic spectrum with an average output power in this band of about 2 J/cm.sup.2 at a wall-plug efficiency of approximately 5% is described. Only ceramics and metal parts are employed in this surface discharge source. Because of the contamination-free, high photon energy and flux, and short pulse characteristics of the source, it is suitable for semiconductor and flat panel display material processing.

  8. Large area, surface discharge pumped, vacuum ultraviolet light source

    DOEpatents

    Sze, R.C.; Quigley, G.P.

    1996-12-17

    Large area, surface discharge pumped, vacuum ultraviolet (VUV) light source is disclosed. A contamination-free VUV light source having a 225 cm{sup 2} emission area in the 240-340 nm region of the electromagnetic spectrum with an average output power in this band of about 2 J/cm{sup 2} at a wall-plug efficiency of approximately 5% is described. Only ceramics and metal parts are employed in this surface discharge source. Because of the contamination-free, high photon energy and flux, and short pulse characteristics of the source, it is suitable for semiconductor and flat panel display material processing. 3 figs.

  9. Large area, dense silicon nanowire array chemical sensors

    SciTech Connect

    Talin, A. Alec; Hunter, Luke L.; Leonard, Francois; Rokad, Bhavin

    2006-10-09

    The authors present a simple top-down approach based on nanoimprint lithography to create dense arrays of silicon nanowires over large areas. Metallic contacts to the nanowires and a bottom gate allow the operation of the array as a field-effect transistor with very large on/off ratios. When exposed to ammonia gas or cyclohexane solutions containing nitrobenzene or phenol, the threshold voltage of the field-effect transistor is shifted, a signature of charge transfer between the analytes and the nanowires. The threshold voltage shift is proportional to the Hammett parameter and the concentration of the nitrobenzene and phenol analytes.

  10. Chopped Radiation Measurements With Large Area Si Photodiodes

    PubMed Central

    Eppeldauer, George

    1998-01-01

    Frequency dependent response characteristics of photocurrent meters using large area, radiometric quality Si photodiodes have been analyzed. The current responsivity, the voltage noise and drift amplification, and the gain and bandwidth of the photocurrent-measuring analog control loop were calculated. The photodiodes were selected for high shunt resistance. The effect of the photodiode junction capacitance on the response characteristics was also analyzed. As a result of photocurrent gain dependent frequency compensations, the noise boosting effect was minimized at the output of the current meter. The loop gain and bandwidth were maximized. High-accuracy photocurrent measurements can be achieved using the described procedures for both dc and modulated optical radiation. PMID:28009366

  11. LACIE large area acreage estimation. [United States of America

    NASA Technical Reports Server (NTRS)

    Chhikara, R. S.; Feiveson, A. H. (Principal Investigator)

    1979-01-01

    A sample wheat acreage for a large area is obtained by multiplying its small grains acreage estimate as computed by the classification and mensuration subsystem by the best available ratio of wheat to small grains acreages obtained from historical data. In the United States, as in other countries with detailed historical data, an additional level of aggregation was required because sample allocation was made at the substratum level. The essential features of the estimation procedure for LACIE countries are included along with procedures for estimating wheat acreage in the United States.

  12. High-Throughput Dry Processes for Large-Area Devices

    SciTech Connect

    BUSS,RICHARD J.; HEBNER,GREGORY A.; RUBY,DOUGLAS S.; YANG,PIN

    1999-11-01

    In October 1996, an interdisciplinary team began a three-year LDRD project to study the plasma processes of reactive ion etching and plasma-enhanced chemical vapor deposition on large-area silicon devices. The goal was to develop numerical models that could be used in a variety of applications for surface cleaning, selective etching, and thin-film deposition. Silicon solar cells were chosen as the experimental vehicle for this project because an innovative device design was identified that would benefit from immediate performance improvement using a combination of plasma etching and deposition processes. This report presents a summary of the technical accomplishments and conclusions of the team.

  13. Large Area Crop Inventory Experiment (LACIE). Executive summary

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The author has identified the following significant results. The Large Area Crop Inventory Experiment (LACIE), completed June 30, 1978, has met the USDA at-harvest goals (90% accuracy with a 90% confidence level) in the US Great Plains and U.S.S.R. for two consecutive years. In addition, in the U.S.S.R., LACIE indicated a shortfall in the '76-'77 wheat crop about two months prior to harvest, thus demonstrating the capability of LACIE to make accurate preharvest estimates.

  14. Large area nuclear particle detectors using ET materials

    NASA Technical Reports Server (NTRS)

    1987-01-01

    The purpose of this SBIR Phase 1 feasibility effort was to demonstrate the usefulness of Quantex electron-trapping (ET) materials for spatial detection of nuclear particles over large areas. This demonstration entailed evaluating the prompt visible scintillation as nuclear particles impinged on films of ET materials, and subsequently detecting the nuclear particle impingement information pattern stored in the ET material, by means of the visible-wavelength luminescence produced by near-infrared interrogation. Readily useful levels of scintillation and luminescence outputs are demonstrated.

  15. LACIE large area acreage estimation. [United States of America

    NASA Technical Reports Server (NTRS)

    Chhikara, R. S.; Feiveson, A. H. (Principal Investigator)

    1979-01-01

    A sample wheat acreage for a large area is obtained by multiplying its small grains acreage estimate as computed by the classification and mensuration subsystem by the best available ratio of wheat to small grains acreages obtained from historical data. In the United States, as in other countries with detailed historical data, an additional level of aggregation was required because sample allocation was made at the substratum level. The essential features of the estimation procedure for LACIE countries are included along with procedures for estimating wheat acreage in the United States.

  16. Large-area, laterally-grown epitaxial semiconductor layers

    DOEpatents

    Han, Jung; Song, Jie; Chen, Danti

    2017-07-18

    Structures and methods for confined lateral-guided growth of a large-area semiconductor layer on an insulating layer are described. The semiconductor layer may be formed by heteroepitaxial growth from a selective growth area in a vertically-confined, lateral-growth guiding structure. Lateral-growth guiding structures may be formed in arrays over a region of a substrate, so as to cover a majority of the substrate region with laterally-grown epitaxial semiconductor tiles. Quality regions of low-defect, stress-free GaN may be grown on silicon.

  17. Fermi Large Area Telescope Bright Gamma-ray Source List

    SciTech Connect

    Abdo, Aous A.; Ackermann, M.; Ajello, M.; Atwood, W.B.; Axelsson, M.; Baldini, L.; Ballet, J.; Band, D.L.; Barbiellini, Guido; Bastieri, Denis; Bechtol, K.; Bellazzini, R.; Berenji, B.; Bignami, G.F.; Bloom, Elliott D.; Bonamente, E.; Borgland, A.W.; Bregeon, J.; Brigida, M.; Bruel, P.; Burnett, Thompson H.; /more authors..

    2009-05-15

    Following its launch in 2008 June, the Fermi Gamma-ray Space Telescope (Fermi) began a sky survey in August. The Large Area Telescope (LAT) on Fermi in three months produced a deeper and better resolved map of the {gamma}-ray sky than any previous space mission. We present here initial results for energies above 100 MeV for the 205 most significant (statistical significance greater than {approx}10{sigma}) {gamma}-ray sources in these data. These are the best characterized and best localized point-like (i.e., spatially unresolved) {gamma}-ray sources in the early mission data.

  18. A large area, high gain Micro Gap Chamber

    NASA Astrophysics Data System (ADS)

    Angelini, F.; Bellazzini, R.; Bozzo, M.; Brez, A.; Massai, M. M.; Raffo, R.; Spandre, G.; Spezziga, M.; Toropin, A.

    1995-02-01

    A new approach to the construction of the Micro Gap Chamber is presented. A 10 × 10 cm 2 MGC has been built using a 8 μm thick polyimide layer as anode-cathode insulator. Studies on gas gain, uniformity of response along the strip and charging-up have been carried out in laboratory by using X-ray sources. Very large proportional gains, up to ˜ 210 4, have been reached working with gas mixtures based on Ne-DME. The simplified technology for the detector fabrication opens the possibility to produce very large area MGCs.

  19. Large-Area Flexible 3D Optical Negative Index Metamaterial Formed by Nanotransfer Printing

    DTIC Science & Technology

    2011-07-01

    metamaterial formed by nanotransfer printing Debashis Chanda1, Kazuki Shigeta1, Sidhartha Gupta1, Tyler Cain1, Andrew Carlson1, Agustin Mihi1, Alfred J. Baca3...2008). 11. Dolling, G., Enkrich, C. & Wegener , M. Low-loss negative-index metamaterial at telecommunication wavelengths. Opt. Lett. 31, 1800–1802 (2006...metamaterials. Phys. Rev. B 75, 024304 (2007). 13. Dolling, G., Wegener , M. & Linden, S. Realization of a three-functional-layer negative-index photonic

  20. Development of CIGS2 Thin Films on Ultralightweight Flexible Large Area Foil Sunstrates

    NASA Technical Reports Server (NTRS)

    Dhere, Neelkanth G.; Gade, Vivek S.; Kadam, Ankur A.; Jahagirdar, Anant H.; Kulkarni, Sachin S.; Bet, Sachin M.

    2005-01-01

    The development of thin film solar cells is aimed at reducing the costs for photovoltaic systems. Use of thin film technology and thin foil substrate such as 5-mil thick stainless steel foil or 1-mil thick Ti would result in considerable costs savings. Another important aspect is manufacturing cost. Current single crystal technology for space power can cost more than $ 300 per watt at the array level and weigh more than 1 kg/sq m equivalent to specific power of approx. 65 W/kg. Thin film material such as CuIn1-xGaxS2 (CIGS2), CuIn(1-x)Ga(x)Se(2-y)S(y) (CIGSS) or amorphous hydrogenated silicon (a-Si:H) may be able to reduce both the cost and mass per unit area by an order of magnitude. Manufacturing costs for solar arrays are an important consideration for total spacecraft budget. For a medium sized 5kW satellite for example, the array manufacturing cost alone may exceed $ 2 million. Moving to thin film technology could reduce this expense to less than $ 500K. Earlier publications have demonstrated the potential of achieving higher efficiencies from CIGSS thin film solar cells on 5-mil thick stainless steel foil as well as initial stages of facility augmentation for depositing thin film solar cells on larger (6 in x 4 in) substrates. This paper presents the developmental study of achieving stress free Mo coating; uniform coatings of Mo back contact and metallic precursors. The paper also presents the development of sol gel process, refurbishment of selenization/sulfurization furnace, chemical bath deposition (CBD) for n-type CdS and scrubber for detoxification of H2S and H2Se gases.

  1. Bulk Heterojunction Solar Cells for Large-Area PV Fabrication on Flexible Substrates

    NASA Astrophysics Data System (ADS)

    Waldauf, C.; Dennler, G.; Schilinsky, P.; Brabec, C. J.

    Photovoltaics (PV) is the harvesting of energy from sunlight and conversion into electrical power. This technology is being increasingly recognized as one of the key components in our future global energy scenario. The limited resources of fossil fuel and the steadily increasing costs to supply fossil fuels to the market give a natural limit when renewable energies will begin to kick in as major energy suppliers. In addition, the detrimental long-term effects of CO2 and other emissions from burning fossil fuels into our atmosphere underscore the multiple benefits of developing renewable energy resources and commercializing them.

  2. Laser-assisted reduction of graphene oxide for paper based large area flexible electronics

    NASA Astrophysics Data System (ADS)

    Balliu, E.; Andersson, H.; Engholm, M.; Forsberg, S.; Olin, H.

    2016-03-01

    In this work we present a promising method for fabrication of conductive tracks on paper based substrates by laser assisted reduction of Graphene Oxide (GO). Printed electronics on paper based substrates is be coming more popular due to lower cost and recyclability. Fabrication of conductive tracks is of great importance where metal, carbon and polymer inks are commonly used. An emerging option is reduced graphene oxide (r-GO), which can be a good conductor. Here we have evaluated reduction of GO by using a 532 nm laser source, showing promising results with a decrease of sheet resistance from >100 M Ω/Sqr for unreduced GO down to 126 Ω/Sqr. without any observable damage to the paper substrates.

  3. Controlled self-organization of polymer nanopatterns over large areas.

    PubMed

    Eryilmaz, Ilknur Hatice; Mohanraj, John; Dal Zilio, Simone; Fraleoni-Morgera, Alessandro

    2017-09-05

    Self-assembly methods allow to obtain ordered patterns on surfaces with exquisite precision, but often lack in effectiveness over large areas. Here we report on the realization of hierarchically ordered polymethylmethacrylate (PMMA) nanofibres and nanodots over large areas from solution via a fast, easy and low-cost method named ASB-SANS, based on a ternary solution that is cast on the substrate. Simple changes to the ternary solution composition allow to control the transition from nanofibres to nanodots, via a wide range of intermediate topologies. The ternary solution includes the material to be patterned, a liquid solvent and a solid substance able to sublimate. The analysis of the fibres/dots width and inter-pattern distance variations with respect to the ratio between the solution components suggests that the macromolecular chains mobility in the solidified sublimating substance follows Zimm-like models (mobility of macromolecules in diluted liquid solutions). A qualitative explanation of the self-assembly phenomena originating the observed nanopatterns is given. Finally, ASB-SANS-generated PMMA nanodots arrays have been used as lithographic masks for a silicon substrate and submitted to Inductively Coupled Plasma-Reactive Ion Etching (ICP-RIE). As a result, nanopillars with remarkably high aspect ratios have been achieved over areas as large as several millimeters square, highlighting an interesting potential of ASB-SANS in practical applications like photon trapping in photovoltaic cells, surface-enhanced sensors, plasmonics.

  4. Development of a Large-Area Ultracold Neutron Detector

    NASA Astrophysics Data System (ADS)

    Stoffel, Jenna; Liu, Chen-Yu; UCN Tau Collaboration

    2015-10-01

    To improve our knowledge in particle physics and cosmology, including big-bang nucleosynthesis, we need a more precise and accurate measurement of the lifetime of free neutrons. Though there have been many attempts to measure the neutron lifetime, discrepancies exist between the two major experimental techniques of the beam and the bottle methods. To resolve this discrepancy, the UCN τ experiment will trap ultracold neutrons (UCNs) to perform lifetime measurements to the 1-second level. To accomplish this goal, we are developing a large-area, high-efficiency UCN detector. We construct a scintillating UCN detector by evaporating a thin film of boron-10 onto an airbrushed layer of zinc sulfide (ZnS); the 10B-coated ZnS scintillating film is then glued to wavelength-shifting plastic, which acts as a light guide to direct photons into modern silicon photomultipliers. This new detector has similar efficiency and background noise as the previously-used ion gas detectors, but can be easily scaled up to cover large areas for many applications. The new detector opens up exciting new ways to study systematic effects, as they hold the key to the interpretation of neutron lifetime.

  5. The GLAST Large Area Telescope Detector Performance Monitoring

    SciTech Connect

    Borgland, A. W.; Charles, E.

    2007-07-12

    The Large Area Telescope (LAT) is one of two instruments on board the Gamma-ray Large Area Telescope (GLAST), the next generation high energy gamma-ray space telescope. The LAT contains sixteen identical towers in a four-by-four grid. Each tower contains a silicon-strip tracker and a CsI calorimeter that together will give the incident direction and energy of the pair-converting photon in the energy range 20 MeV - 300 GeV. In addition, the instrument is covered by a finely segmented Anti-Coincidence Detector (ACD) to reject charged particle background. Altogether, the LAT contains more than 864k channels in the trackers, 1536 CsI crystals and 97 ACD plastic scintillator tiles and ribbons. Here we detail some of the strategies and methods for how we are planning to monitor the instrument performance on orbit. It builds on the extensive experience gained from Integration and Test and Commissioning of the instrument on ground.

  6. The GLAST Large Area Telescope Detector Performance Monitoring

    SciTech Connect

    Borgland, A.W.; Charles, E.; /SLAC

    2007-10-16

    The Large Area Telescope (LAT) is one of two instruments on board the Gamma-ray Large Area Telescope (GLAST), the next generation high energy gamma-ray space telescope. The LAT contains sixteen identical towers in a four-by-four grid. Each tower contains a silicon-strip tracker and a CsI calorimeter that together will give the incident direction and energy of the pair-converting photon in the energy range 20 MeV - 300 GeV. In addition, the instrument is covered by a finely segmented Anti-Coincidence Detector (ACD) to reject charged particle background. Altogether, the LAT contains more than 864k channels in the trackers, 1536 CsI crystals and 97 ACD plastic scintillator tiles and ribbons. Here we detail some of the strategies and methods for how we are planning to monitor the instrument performance on orbit. It builds on the extensive experience gained from Integration & Test and Commissioning of the instrument on ground.

  7. The GLAST Large Area Telescope Detector Performance Monitoring

    NASA Astrophysics Data System (ADS)

    Borgland, A. W.; Charles, E.

    2007-07-01

    The Large Area Telescope (LAT) is one of two instruments on board the Gamma-ray Large Area Telescope (GLAST), the next generation high energy gamma-ray space telescope. The LAT contains sixteen identical towers in a four-by-four grid. Each tower contains a silicon-strip tracker and a CsI calorimeter that together will give the incident direction and energy of the pair-converting photon in the energy range 20 MeV - 300 GeV. In addition, the instrument is covered by a finely segmented Anti-Coincidence Detector (ACD) to reject charged particle background. Altogether, the LAT contains more than 864k channels in the trackers, 1536 CsI crystals and 97 ACD plastic scintillator tiles and ribbons. Here we detail some of the strategies and methods for how we are planning to monitor the instrument performance on orbit. It builds on the extensive experience gained from Integration & Test and Commissioning of the instrument on ground.

  8. Prospects for Pulsar Studies with the GLAST Large Area Telescope

    NASA Technical Reports Server (NTRS)

    Harding, Alice K.

    2007-01-01

    The Large Area Telescope (LAT) on the Gamma-ray Large Area Space Telescope (GLAST), due to launch in November 2007, will have unprecedented sensitivity and energy resolution for gamma-rays in the range of 30 MeV to 200 GeV. GLAST is therefore expected to provide major advances in the understanding of high-energy emission from rotation-powered pulsars. As the only presently known galactic GeV source class; pulsars will be one of the most important sources for study with GLAST. The main science goals of the LAT for pulsar studies include an increase in the number of detected radio-loud and radio-quiet gamma-ray pulsars, including millisecond pulsars, giving much better statistics for elucidating population characteristics, measurement of the high-energy spectrum and the shape of spectral cutoffs and determining pulse profiles for a variety of pulsars of different age. Further, measurement of phase-resolved spectra and energy dependent pulse profiles of the brighter pulsars should allow detailed tests of magnetospheric particle acceleration and radiation mechanisms, by comparing data with theoretical models that have been developed. Additionally, the LAT will have the sensitivity to allow blind pulsation searches of nearly all unidentified EGRET sources, to possibly uncover more radio-quiet Geminga-like pulsars.

  9. Prospects for Pulsar Studies with the GLAST Large Area Telescope

    NASA Technical Reports Server (NTRS)

    Harding, Alice K.

    2006-01-01

    The Large Area Telescope (LAT) on the Gamma-ray Large Area Space Telescope (GLAST) will have unprecedented sensitivity and energy resolution for gamma-rays in the range of 30 MeV to 200 GeV. GLAST is therefore expected to provide major advances in the understanding of high-energy emission from rotation-powered pulsars. As the only presently known galactic GeV source class, pulsars will be one of the most important sources for study with GLAST. The main science goals of the LAT for pulsar studies include an increase in the number of detected radio-loud and radio-quiet gamma ray pulsars, including millisecond pulsars, giving much better statistics for elucidating population characteristics, measurement of the high-energy spectrum and the shape of spectral cutoffs and determining pulse profiles for a variety of pulsars of different age. Further, measurement of phase-resolved spectra and energy dependent pulse profiles of the brighter pulsars should allow detailed tests of magnetospheric particle acceleration and radiation mechanisms, by comparing data with theoretical models that have been developed. Additionally, the LAT will have the sensitivity to allow blind pulsation searches of nearly all unidentified EGRET sources, to possibly uncover more radio-quiet Geminga-like pulsars.

  10. Prospects for Pulsar Studies with the GLAST Large Area Telescope

    NASA Technical Reports Server (NTRS)

    Harding, Alice K.

    2007-01-01

    The Large Area Telescope (LAT) on the Gamma-ray Large Area Space Telescope (GLAST), due to launch in November 2007, will have unprecedented sensitivity and energy resolution for gamma-rays in the range of 30 MeV to 200 GeV. GLAST is therefore expected to provide major advances in the understanding of high-energy emission from rotation-powered p ulsars. As the only presently known galactic GeV source class, pulsar s will be one of the most important sources for study with GLAST. The main science goals of the LAT for pulsar studies include an increase in the number of detected radio-loud and radio-quiet gamma-ray pulsar s, including millisecond pulsars, giving much better statistics for e lucidating population characteristics, measurement of the high-energy spectrum and the shape of spectral cutoffs and determining pulse profiles for a variety of pulsars of different age. Further, measurement of phase-resolved spectra and energy dependent pulse profiles of the brighter pulsars should allow detailed tests of magnetospheric partic le acceleration and radiation mechanisms, by comparing data with theo retical models that have been developed. Additionally, the LAT will have the sensitivity to allow blind pulsation searches of nearly all un identified EGRET sources, to possibly uncover more radio-quiet Geming a-like pulsars.

  11. Amplifiers dedicated for large area SiC photodiodes

    NASA Astrophysics Data System (ADS)

    Doroz, P.; Duk, M.; Korwin-Pawlowski, M. L.; Borecki, M.

    2016-09-01

    Large area SiC photodiodes find applications in optoelectronic sensors working at special conditions. These conditions include detection of UV radiation in harsh environment. Moreover, the mentioned sensors have to be selective and resistant to unwanted signals. For this purpose, the modulation of light at source unit and the rejection of constant current and low frequency component of signal at detector unit are used. The popular frequency used for modulation in such sensor is 1kHz. The large area photodiodes are characterized by a large capacitance and low shunt resistance that varies with polarization of the photodiode and can significantly modify the conditions of signal pre-amplification. In this paper two pre-amplifiers topology are analyzed: the transimpedance amplifier and the non-inverting voltage to voltage amplifier with negative feedback. The feedback loops of both pre-amplifiers are equipped with elements used for initial constant current and low frequency signals rejections. Both circuits are analyzed and compared using simulation and experimental approaches.

  12. Large-Area Zone Plate Fabrication with Optical Lithography

    SciTech Connect

    Denbeaux, G.

    2011-09-09

    Zone plates as condenser optics for x-ray microscopes offer simple optical designs for both illumination and spectral resolution when used as a linear monochromator. However, due to the long write times for electron beam lithography, both the availability and the size of zone plates for condensers have been limited. Since the resolution provided by the linear monochromator scales almost linearly with the diameter of the zone plate, the full potential for zone plate monochromators as illumination systems for x-ray microscopes has not been achieved. For example, the 10-mm-diameter zone plate has demonstrated a spectral resolution of E/{Delta}E = 700[1], but with a 26-mm-diameter zone plate, the calculated spectral resolution is higher than E/{Delta}E = 3000. These large-area zone plates are possible to fabricate with the leading edge semiconductor lithography tools such as those available at the College of Nanoscale Science and Engineering at the University at Albany. One of the lithography tools available is the ASML TWINSCAN XT: 1950i with 37-nm resolution [2]. A single 300-mm wafer can contain more than 60 fields, each with a large area condenser, and the throughput of the tool can be more than one wafer every minute.

  13. Large-area ALON windows for reconnaissance and armor applications

    NASA Astrophysics Data System (ADS)

    Goldman, Lee M.; Twedt, Richard; Foti, Robyn; Smith, Mark; Sastri, Suri A.

    2009-05-01

    The demand for large ALON® windows has continued to increase since the material transitioned to Surmet Corporation for commercialization. Two applications which represent opposite ends of the requirements spectrum in terms of required optical performance and cost sensitivity are Reconnaissance windows and transparent armor. Consequently, the approaches to producing large area windows for both applications are quite different. While Recce applications require windows of the highest possible optical quality and stringent refractive index homogeneity across the large aperture sizes of Recce sensors, the optical requirements for transparent armor windows are substantially looser. Furthermore, optical performance is paramount for Recce applications while transparent armor applications are more strongly driven by cost considerations. Surmet has developed processes for producing large (i.e., up to ~17x30-in) ALON® window blanks of extremely high optical quality and refractive index homogeneity, for Recce applications. This material has been optically fabricated into finished windows and characterized for transmitted wavefront and homogeneity. Recent results will be presented. Large area transparent armor windows have been produced using a tiling approach. Since transparent armor laminates consist of multiple layers (i.e., ALON/Glass/Polycarbonate) Smaller ALON® tiles can be face bonded onto the underlying glass and polycarbonate layers to produce very large windows. Excellent ballistic results have been obtained using a tiled configuration. Recent results will be presented.

  14. Large-area CCD mosaic for astronomical imaging

    NASA Astrophysics Data System (ADS)

    Tyson, J. Anthony; Bernstein, Gary M.; Blouke, Morley; Lee, Robert W.

    1992-08-01

    Large area charge-coupled devices (CCDs) with unprecedentedly low noise and high quantum efficiency are revolutionizing astronomy probing the universe to record faint levels while imaging relatively large areas of the sky. On-line intelligent pattern recognition software transforms these large images into photometrically accurate catalogs of colors sizes and shapes of thousands of stars and galaxies. The scientific driver for this is starvation: much of modern optical and JR astronomy is " photon starved" . Current research involving faint imaging and spectroscopy often requires total exposure times longer than several nights to obtain good signal-to-noise ratio. One must use the highest quantum efficiency detectors on the largest telescopes and develop image acquisition and reduction techniques which cancel systematic errors to high accuracy. We describe here a CCD mosaic camera and data handling system which will make full use of the light collected by the largest existing telescopes. It uses off-the-shelf CCDs in a mosaic configuration together with automated data acquisition and processing. 2. ULTRA-FAINTCCI) IMAGING IN ASTRONOMY In practice an arbitrary precision in photometry cannot be reached even in an arbitrarily long integration time. Accurate surface photometry to 30-3 1 magnitude arcsecond2 requires the correction of systematic errors to iO-4 of the moonless night sky background. New techniques for ultra-deep imaging made possible by the dimensional and temporal stability of CCDs permit photometry at this level. A series of guided exposures each

  15. Large area single crystal (0001) oriented MoS2

    NASA Astrophysics Data System (ADS)

    Laskar, Masihhur R.; Ma, Lu; Kannappan, Santhakumar; Sung Park, Pil; Krishnamoorthy, Sriram; Nath, Digbijoy N.; Lu, Wu; Wu, Yiying; Rajan, Siddharth

    2013-06-01

    Layered metal dichalcogenide materials are a family of semiconductors with a wide range of energy band gaps and properties, the potential for exciting physics and technology applications. However, obtaining high crystal quality thin films over a large area remains a challenge. Here we show that chemical vapor deposition (CVD) can be used to achieve large area single crystal Molybdenum Disulfide (MoS2) thin films. Growth temperature and choice of substrate were found to critically impact the quality of film grown, and high temperature growth on (0001) oriented sapphire yielded highly oriented single crystal MoS2 films. Films grown under optimal conditions were found to be of high structural quality from high-resolution X-ray diffraction, transmission electron microscopy, and Raman measurements, approaching the quality of reference geological MoS2. Photoluminescence and electrical measurements confirmed the growth of optically active MoS2 with a low background carrier concentration, and high mobility. The CVD method reported here for the growth of high quality MoS2 thin films paves the way towards growth of a variety of layered 2D chalcogenide semiconductors and their heterostructures.

  16. High Temperature Thermoelectric Device Concept Using Large Area PN Junctions

    NASA Astrophysics Data System (ADS)

    Chavez, R.; Angst, S.; Hall, J.; Stoetzel, J.; Kessler, V.; Bitzer, L.; Maculewicz, F.; Benson, N.; Wiggers, H.; Wolf, D.; Schierning, G.; Schmechel, R.

    2014-06-01

    A new high temperature thermoelectric device concept using large area nanostructured silicon p-type and n-type ( PN) junctions is presented. In contrast to conventional thermoelectric generators, where the n-type and p-type semiconductors are connected electrically in series and thermally in parallel, we experimentally demonstrate a device concept in which a large area PN junction made from highly doped densified silicon nanoparticles is subject to a temperature gradient parallel to the PN interface. In the proposed device concept, the electrical contacts are made at the cold side eliminating the hot side substrate and difficulties that go along with high temperature electrical contacts. This concept allows temperature gradients greater than 300 K to be experimentally applied with hot side temperatures larger than 800 K. Electronic properties of the PN junctions and power output characterizations are presented. A fundamental working principle is discussed using a particle network model with temperature and electric fields as variables, and which considers electrical conductivity and thermal conductivity according to Fourier's law, as well as Peltier and Seebeck effects.

  17. Large areas elemental mapping by ion beam analysis techniques

    NASA Astrophysics Data System (ADS)

    Silva, T. F.; Rodrigues, C. L.; Curado, J. F.; Allegro, P.; Moro, M. V.; Campos, P. H. O. V.; Santos, S. B.; Kajiya, E. A. M.; Rizzutto, M. A.; Added, N.; Tabacniks, M. H.

    2015-07-01

    The external beam line of the Laboratory for Material Analysis with Ion Beams (LAMFI) is a versatile setup for multi-technique analysis. X-ray detectors for Particle Induced X-rays Emission (PIXE) measurements, a Gamma-ray detector for Particle Induced Gamma- ray Emission (PIGE), and a particle detector for scattering analysis, such as Rutherford Backscattering Spectrometry (RBS), were already installed. In this work, we present some results, using a large (60-cm range) XYZ computer controlled sample positioning system, completely developed and build in our laboratory. The XYZ stage was installed at the external beam line and its high spacial resolution (better than 5 μm over the full range) enables positioning the sample with high accuracy and high reproducibility. The combination of a sub-millimeter beam with the large range XYZ robotic stage is being used to produce elemental maps of large areas in samples like paintings, ceramics, stones, fossils, and all sort of samples. Due to its particular characteristics, this is a unique device in the sense of multi-technique analysis of large areas. With the continuous development of the external beam line at LAMFI, coupled to the robotic XYZ stage, it is becoming a robust and reliable option for regular analysis of trace elements (Z > 5) competing with the traditional in-vacuum ion-beam-analysis with the advantage of automatic rastering.

  18. Characterization and Calibration of Large Area Resistive Strip Micromegas Detectors

    NASA Astrophysics Data System (ADS)

    Lösel, Philipp; Atlas Muon Collaboration

    2016-07-01

    Resistive strip Micromegas detectors have been tested extensively as small detectors of about 10×10 cm2 in size and they work reliably at high rates of 100 kHz/cm2 and above. Tracking resolution well below 100 μm has been observed for 100 GeV muons and pions. Micromegas detectors are meanwhile proposed as large area muon precision trackers of 2-3 m2 in size. To investigate possible differences between small and large detectors, a 1 m2 detector with 2048 resistive strips at a pitch of 450 μm was studied in the LMU Cosmic Ray Measurement Facility (CRMF) using two 4×2.2 m2 large Monitored Drift Tube (MDT) chambers for cosmic muon reference tracking. A segmentation of the resistive strip anode plane in 57.6 mm×93 mm large areas has been realized by the readout of 128 strips with one APV25 chip each and by eleven 93 mm broad trigger scintillators placed along the readout strips. This allows for mapping of homogeneity in pulse height and efficiency, determination of signal propagation along the 1 m long anode strips and calibration of the position of the anode strips.

  19. Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress β-lactam antibiotic resistance.

    PubMed

    Vadlamani, Grishma; Stubbs, Keith A; Désiré, Jérôme; Blériot, Yves; Vocadlo, David J; Mark, Brian L

    2017-03-28

    NagZ is an N-acetyl-β-d-glucosaminidase that participates in the peptidoglycan (PG) recycling pathway of Gram-negative bacteria by removing N-acetyl-glucosamine (GlcNAc) from PG fragments that have been excised from the cell wall during growth. The 1,6-anhydromuramoyl-peptide products generated by NagZ activate β-lactam resistance in many Gram-negative bacteria by inducing the expression of AmpC β-lactamase. Blocking NagZ activity can thereby suppress β-lactam antibiotic resistance in these bacteria. The NagZ active site is dynamic and it accommodates distortion of the glycan substrate during catalysis using a mobile catalytic loop that carries a histidine residue which serves as the active site general acid/base catalyst. Here, we show that flexibility of this catalytic loop also accommodates structural differences in small molecule inhibitors of NagZ, which could be exploited to improve inhibitor specificity. X-ray structures of NagZ bound to the potent yet non-selective N-acetyl-β-glucosaminidase inhibitor PUGNAc (O-(2-acetamido-2-deoxy-d-glucopyranosylidene) amino-N-phenylcarbamate), and two NagZ-selective inhibitors - EtBuPUG, a PUGNAc derivative bearing a 2-N-ethylbutyryl group, and MM-156, a 3-N-butyryl trihydroxyazepane, revealed that the phenylcarbamate moiety of PUGNAc and EtBuPUG completely displaces the catalytic loop from the NagZ active site to yield a catalytically incompetent form of the enzyme. In contrast, the catalytic loop was found positioned in the catalytically active conformation within the NagZ active site when bound to MM-156, which lacks the phenylcarbamate extension. Displacement of the catalytic loop by PUGNAc and its N-acyl derivative EtBuPUG alters the active site conformation of NagZ, which presents an additional strategy to improve the potency and specificity of NagZ inhibitors.

  20. Large-Area Laser-Lift-Off Processing in Microelectronics

    NASA Astrophysics Data System (ADS)

    Delmdahl, R.; Pätzel, R.; Brune, J.

    Laser lift-off is an enabling technology for microelectronics growth markets such as light emitting diodes, densely packaged semiconductor devices, and flexible displays. For example, thin film transistor structures fabricated on top of polymer layers spun on glass carriers must be delaminated from rigid substrates to create lightweight and rugged flexible displays on polymers. Low-thermal-budget processes are generically required to protect adjacent functional films. Excimer lasers provide short UV wavelength and short pulse duration required for highly-localized energy coupling. The high output power of excimer lasers enables a large processing footprint and the high-throughput rates needed in mass manufacturing.

  1. Determination of the solution-bound conformation of an amino acid binding protein by NMR paramagnetic relaxation enhancement: use of a single flexible paramagnetic probe with improved estimation of its sampling space.

    PubMed

    Bermejo, Guillermo A; Strub, Marie-Paule; Ho, Chien; Tjandra, Nico

    2009-07-15

    We demonstrate the feasibility of elucidating the bound ("closed") conformation of a periplasmic binding protein, the glutamine-binding protein (GlnBP), in solution, using paramagnetic relaxation enhancements (PREs) arising from a single paramagnetic group. GlnBP consists of two globular domains connected by a hinge. Using the ligand-free ("open") conformation as a starting point, conjoined rigid-body/torsion-angle simulated annealing calculations were performed using backbone (1)H(N)-PREs as a major source of distance information. Paramagnetic probe flexibility was accounted for via a multiple-conformer representation. A conventional approach where the entire PRE data set is enforced at once during simulated annealing yielded poor results due to inappropriate conformational sampling of the probe. On the other hand, significant improvements in coordinate accuracy were obtained by estimating the probe sampling space prior to structure calculation. Such sampling is achieved by refining the ensemble of probe conformers with intradomain PREs only, keeping the protein backbone fixed in the open form. Subsequently, while constraining the probe to the previously found conformations, the domains are allowed to move relative to each other under the influence of the non-intradomain PREs, giving the hinge region torsional degrees of freedom. Thus, by partitioning the protocol into "probe sampling" and "backbone sampling" stages, structures significantly closer to the X-ray structure of ligand-bound GlnBP were obtained.

  2. Large-area photogrammetry based testing of wind turbine blades

    NASA Astrophysics Data System (ADS)

    Poozesh, Peyman; Baqersad, Javad; Niezrecki, Christopher; Avitabile, Peter; Harvey, Eric; Yarala, Rahul

    2017-03-01

    An optically based sensing system that can measure the displacement and strain over essentially the entire area of a utility-scale blade leads to a measurement system that can significantly reduce the time and cost associated with traditional instrumentation. This paper evaluates the performance of conventional three dimensional digital image correlation (3D DIC) and three dimensional point tracking (3DPT) approaches over the surface of wind turbine blades and proposes a multi-camera measurement system using dynamic spatial data stitching. The potential advantages for the proposed approach include: (1) full-field measurement distributed over a very large area, (2) the elimination of time-consuming wiring and expensive sensors, and (3) the need for large-channel data acquisition systems. There are several challenges associated with extending the capability of a standard 3D DIC system to measure entire surface of utility scale blades to extract distributed strain, deflection, and modal parameters. This paper only tries to address some of the difficulties including: (1) assessing the accuracy of the 3D DIC system to measure full-field distributed strain and displacement over the large area, (2) understanding the geometrical constraints associated with a wind turbine testing facility (e.g. lighting, working distance, and speckle pattern size), (3) evaluating the performance of the dynamic stitching method to combine two different fields of view by extracting modal parameters from aligned point clouds, and (4) determining the feasibility of employing an output-only system identification to estimate modal parameters of a utility scale wind turbine blade from optically measured data. Within the current work, the results of an optical measurement (one stereo-vision system) performed on a large area over a 50-m utility-scale blade subjected to quasi-static and cyclic loading are presented. The blade certification and testing is typically performed using International

  3. Large-area thermoelectric high-aspect-ratio nanostructures by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Ruoho, Mikko; Juntunen, Taneli; Tittonen, Ilkka

    2016-09-01

    We report on the thermoelectric properties of large-area high-aspect-ratio nanostructures. We fabricate the structures by atomic layer deposition of conformal ZnO thin films on track-etched polycarbonate substrate. The resulting structure consists of ZnO tubules which continue through the full thickness of the substrate. The electrical and thermal properties of the structures are studied both in-plane and out-of-plane. They exhibit very low out-of-plane thermal conductivity down to 0.15 W m-1 K-1 while the in-plane sheet resistance of the films was found to be half that of the same film on glass substrate, allowing material-independent doubling of output power of any planar thin-film thermoelectric generator. The wall thickness of the fabricated nanotubes was varied within a range of up to 100 nm. The samples show polycrystalline nature with (002) preferred crystal orientation.

  4. Optical Distortion Evaluation in Large Area Windows using Interferometry

    NASA Technical Reports Server (NTRS)

    Youngquist, Robert C.; Skow, Miles; Nurge, Mark A.

    2015-01-01

    It is important that imagery seen through large area windows, such as those used on space vehicles, not be substantially distorted. Many approaches are described in the literature for measuring the distortion of an optical window, but most suffer from either poor resolution or processing difficulties. In this paper a new definition of distortion is presented, allowing accurate measurement using an optical interferometer. This new definition is shown to be equivalent to the definitions provided by the military and the standards organizations. In order to determine the advantages and disadvantages of this new approach the distortion of an acrylic window is measured using three different methods; image comparison, Moiré interferometry, and phase-shifting interferometry.

  5. Plasma generating apparatus for large area plasma processing

    DOEpatents

    Tsai, C.C.; Gorbatkin, S.M.; Berry, L.A.

    1991-07-16

    A plasma generating apparatus for plasma processing applications is based on a permanent magnet line-cusp plasma confinement chamber coupled to a compact single-coil microwave waveguide launcher. The device creates an electron cyclotron resonance (ECR) plasma in the launcher and a second ECR plasma is created in the line cusps due to a 0.0875 tesla magnetic field in that region. Additional special magnetic field configuring reduces the magnetic field at the substrate to below 0.001 tesla. The resulting plasma source is capable of producing large-area (20-cm diam), highly uniform (.+-.5%) ion beams with current densities above 5 mA/cm[sup 2]. The source has been used to etch photoresist on 5-inch diam silicon wafers with good uniformity. 3 figures.

  6. Plasma generating apparatus for large area plasma processing

    DOEpatents

    Tsai, Chin-Chi; Gorbatkin, Steven M.; Berry, Lee A.

    1991-01-01

    A plasma generating apparatus for plasma processing applications is based on a permanent magnet line-cusp plasma confinement chamber coupled to a compact single-coil microwave waveguide launcher. The device creates an electron cyclotron resonance (ECR) plasma in the launcher and a second ECR plasma is created in the line cusps due to a 0.0875 tesla magnetic field in that region. Additional special magnetic field configuring reduces the magnetic field at the substrate to below 0.001 tesla. The resulting plasma source is capable of producing large-area (20-cm diam), highly uniform (.+-.5%) ion beams with current densities above 5 mA/cm.sup.2. The source has been used to etch photoresist on 5-inch diam silicon wafers with good uniformity.

  7. Large area low-cost space solar cell development

    NASA Technical Reports Server (NTRS)

    Baraona, C. R.; Cioni, J. L.

    1982-01-01

    A development program to produce large-area (5.9 x 5.9 cm) space quality silicon solar cells with a cost goal of 30 $/watt is descibed. Five cell types under investigation include wraparound dielectric, mechanical wraparound and conventional contact configurations with combinations of 2 or 10 ohm-cm resistivity, back surface reflectors and/or fields, and diffused or ion implanted junctions. A single step process to cut cell and cover-glass simultaneously is being developed. A description of cell developments by Applied Solar Energy Corp., Spectrolab and Spire is included. Results are given for cell and array tests, performed by Lockheed, TRW and NASA. Future large solar arrays that might use cells of this type are discussed.

  8. Challenges in large-area, thin-film CIGS modules

    NASA Astrophysics Data System (ADS)

    Wiedeman, S.; Kessler, J.; Lommasson, T.; Russell, L.; Fogleboch, J.; Skibo, S.; Arya, R.

    1996-01-01

    Recent effort at Solarex has been directed toward moving the conversion efficiency of CIGS based modules closer to that demonstrated for small area cells of the same material. Analysis of module structures indicates that much of the gap between device and module performance is due to the difficulty in achieving complete current collection in the large area segments used in modules. Optimization of module design for current collection at the operating point is strongly influenced by the interconnect quality. The development of robust, low resistivity interconnects with minimal area loss is crucial to achievement of high module efficiencies. In this work we report on the influence of module material and interconnect parameters on module conversion efficiency, and the recent progress resulting in a substantial reduction in interconnect resistivity and width.

  9. GLAST, the Gamma-ray Large Area Space Telescope

    NASA Technical Reports Server (NTRS)

    Ritz, Steven

    2007-01-01

    The Gamma-ray Large Area Space Telescope, GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to greater than 300 GeV, with supporting measurements for gamma-ray bursts from 10 keV to 25 MeV. With its upcoming launch in 2008, GLAST will open a new and important window on a wide variety of phenomena, including black holes and active galactic nuclei; the optical-UV extragalactic background light, gamma-ray bursts; the origin of cosmic rays and supernova remnants; and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations and Lorentz invariance violation. In addition to the science opportunities, this talk includes a description of the instruments, the collaboration between particle physicists and astrophysicists, the opportunities for guest observers, and the mission status.

  10. Fabrication of large area Si cylindrical drift detectors. Revision

    SciTech Connect

    Chen, Wei; Kraner, H.W.; Li, Zheng; Rehak, P.; Hess, F.

    1994-04-01

    The processing of an advanced silicon detector, a large area cylindrical drift detector (CDD), was carried out in the BNL Instrumentation Division Fabrication Facility. The double-sided planar process technique was developed for the fabrication of the CDD. Important improvements of the double-sided planar process in this fabrication include the introduction of an Al implantation protection mask and implantation of boron through an 1000 angstrom oxide layer in the step of opening the p-window. Another important aspect of the design of the CDD is the structure called ``river,`` which allows the current generated OD the Si-SiO{sub 2} interface to ``flow`` into the guard anode, and thus minimize the leakage, current at the signal anode. The test result showed that for the best detector most of the signal anodes have leakage currents of about 0.3 nA/cm{sup 2}.

  11. Large area radiation source for water and wastewater treatment

    NASA Astrophysics Data System (ADS)

    Mueller, Michael T.; Lee, Seungwoo; Kloba, Anthony; Hellmer, Ronald; Kumar, Nalin; Eaton, Mark; Rambo, Charlotte; Pillai, Suresh

    2011-06-01

    There is a strong desire for processes that improve the safety of water supplies and that minimize disinfection byproducts. Stellarray is developing mercury-free next-generation x-ray and UV-C radiation sources in flat-panel and pipe form factors for water and wastewater treatment applications. These new radiation sources are designed to sterilize sludge and effluent, and to enable new treatment approaches to emerging environmental concerns such as the accumulation of estrogenic compounds in water. Our UV-C source, based on cathodoluminescent technology, differs significantly from traditional disinfection approaches using mercury arc lamps or UV LEDs. Our sources accelerate electrons across a vacuum gap, converting their energy into UV-C when striking a phosphor, or x-rays when striking a metallic anode target. Stellarray's large area radiation sources for wastewater treatment allow matching of the radiation source area to the sterilization target area for maximum coverage and improved efficiency.

  12. Large Area Printing of 3D Photonic Crystals

    NASA Astrophysics Data System (ADS)

    Watkins, James J.; Beaulieu, Michael R.; Hendricks, Nicholas R.; Kothari, Rohit

    2014-03-01

    We have developed a readily scalable print, lift, and stack approach for producing large area, 3D photonic crystal (PC) structures. UV-assisted nanoimprint lithography (UV-NIL) was used to pattern grating structures comprised of highly filled nanoparticle polymer composite resists with tune-able refractive indices (RI). The gratings were robust and upon release from a support substrate were oriented and stacked to yield 3D PCs. The RI of the composite resists was tuned between 1.58 and 1.92 at 800 nm while maintaining excellent optical transparency. The grating structure dimensions, line width, depth, and pitch, were easily varied by simply changing the imprint mold. For example, a 6 layer log-pile stack was prepared using a composite resist a RI of 1.72 yielding 72 % reflection at 900 nm. The process is scalable for roll-to-roll (R2R) production. Center for Hierarchical Manufacturing - an NSF Nanoscale Science and Engineering Center.

  13. Prospects for GRB science with the Fermi Large Area Telescope

    DOE PAGES

    Band, D. L.; Axelsson, M.; Baldini, L.; ...

    2009-08-04

    The Large Area Telescope (LAT) instrument on the Fermi mission will reveal the rich spectral and temporal gamma-ray burst (GRB) phenomena in the >100 MeV band. The synergy with Fermi's Gamma-ray Burst Monitor detectors will link these observations to those in the well explored 10-1000 keV range; the addition of the >100 MeV band observations will resolve theoretical uncertainties about burst emission in both the prompt and afterglow phases. Trigger algorithms will be applied to the LAT data both onboard the spacecraft and on the ground. Furthermore, the sensitivity of these triggers will differ because of the available computing resourcesmore » onboard and on the ground. Here we present the LAT's burst detection methodologies and the instrument's GRB capabilities.« less

  14. Doping-dependent THz photoconductivity in large-area graphene

    NASA Astrophysics Data System (ADS)

    Frenzel, Alex; Lui, Chun Hung; Shin, Yong Cheol; Kong, Jing; Gedik, Nuh

    2014-03-01

    We have performed a systematic investigation of the transient terahertz photoconductivity of large-area CVD graphene following femtosecond optical excitation as a function of electrically-tuned carrier density. We observe a dramatic change in the transient response as the photoconductivity changes from positive to negative when the Fermi level is tuned from the charge neutrality point to the electron or hole doped regime. This effect is discussed within the context of the Drude model for free carriers, taking into account the elevated electron and phonon temperatures in photoexcited graphene. Our results demonstrate that previous conflicting measurements of terahertz photoconductivity in epitaxial and CVD graphene arise primarily from their different doping levels. Additionally, our measurements provide a link between ultrafast optical experiments and DC photocurrent measurements.

  15. Large area MEMS based ultrasound device for cancer detection

    NASA Astrophysics Data System (ADS)

    Wodnicki, Robert; Thomenius, Kai; Ming Hooi, Fong; Sinha, Sumedha P.; Carson, Paul L.; Lin, Der-Song; Zhuang, Xuefeng; Khuri-Yakub, Pierre; Woychik, Charles

    2011-08-01

    We present image results obtained using a prototype ultrasound array that demonstrates the fundamental architecture for a large area MEMS based ultrasound device for detection of breast cancer. The prototype array consists of a tiling of capacitive Micromachined Ultrasound Transducers (cMUTs) that have been flip-chip attached to a rigid organic substrate. The pitch on the cMUT elements is 185 μm and the operating frequency is nominally 9 MHz. The spatial resolution of the new probe is comparable to those of production PZT probes; however the sensitivity is reduced by conditions that should be correctable. Simulated opposed-view image registration and Speed of Sound volume reconstruction results for ultrasound in the mammographic geometry are also presented.

  16. The Gamma-ray Large Area Space Telescope (GLAST)

    NASA Technical Reports Server (NTRS)

    Ritz, Steve

    2008-01-01

    The Gamma-ray Large Area space Telescope, GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to >300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. The very large field of view will make it possible to observe 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its upcoming launch, GLAST will open a new and important window on a wide variety of phenomena, including black holes and active galactic nuclei; the optical-UV extragalactic background light, gamma-ray bursts; the origin of cosmic rays and supernova remnants; and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations. In addition to the science opportunities, this talk includes a description of the instruments, the opportunities for guest investigators, and the mission status.

  17. Large area III-V infrared focal planes

    NASA Astrophysics Data System (ADS)

    Gunapala, S. D.; Ting, D. Z.; Hill, C. J.; Nguyen, J.; Soibel, A.; Rafol, S. B.; Keo, S. A.; Mumolo, J. M.; Lee, M. C.; Liu, J. K.; Yang, B.; Liao, A.

    2011-05-01

    Jet Propulsion Laboratory is actively developing the III-V based infrared detector and focal plane arrays (FPAs) for remote sensing and imaging applications. Currently, we are working on Superlattice detectors, multi-band quantum well infrared photodetectors (QWIPs), and quantum dot infrared photodetector (QDIPs) technologies suitable for high pixel-pixel uniformity and high pixel operability large area imaging arrays. In this paper, we will discuss the demonstration of long-wavelength 1 K × 1 K QDIP FPA, 1 K × 1K QWIP FPA, the first demonstration of the megapixel-simultaneously-readable and pixel-co-registered dual-band QWIP FPA, and demonstration of the first mid-wave and long-wave 1K × 1K superlattice FPA. In addition, we will discuss the advantages of III-V material system in the context of large format infrared FPAs.

  18. Searches for Axionlike Particles with the Fermi Large Area Telescope

    NASA Astrophysics Data System (ADS)

    Albert, Andrea; Meyer, Manuel; Sanchez-Conde, Miguel; Wood, Matthew; LAT Collaboration

    2017-01-01

    Axionlike particles (ALPs) are dark-matter candidates that occur in a variety of extensions of the Standard Model. These particles could leave signatures in gamma rays, due to the coupling of ALPs to photons in external electromagnetic fields. To date, observations with Fermi Large Area Telescope (LAT) provide the strongest constraints on the photon-ALP coupling for ALP masses between 0.5 and 20 neV. Here, we summarize these constraints and present the sensitivity to detect an ALP induced gamma-ray burst from a Galactic core-collapse supernova. ALPs would be produced in the stellar medium via the Primakoff effect and convert into gamma rays in the Galactic magnetic field. Fermi LAT observations would be able to probe couplings where ALPs could constitute the entirety of dark matter. Below 1 neV, the Fermi-LAT sensitivity would surpass that of future laboratory experiments by one order of magnitude.

  19. Satellite image collection modeling for large area hazard emergency response

    NASA Astrophysics Data System (ADS)

    Liu, Shufan; Hodgson, Michael E.

    2016-08-01

    Timely collection of critical hazard information is the key to intelligent and effective hazard emergency response decisions. Satellite remote sensing imagery provides an effective way to collect critical information. Natural hazards, however, often have large impact areas - larger than a single satellite scene. Additionally, the hazard impact area may be discontinuous, particularly in flooding or tornado hazard events. In this paper, a spatial optimization model is proposed to solve the large area satellite image acquisition planning problem in the context of hazard emergency response. In the model, a large hazard impact area is represented as multiple polygons and image collection priorities for different portion of impact area are addressed. The optimization problem is solved with an exact algorithm. Application results demonstrate that the proposed method can address the satellite image acquisition planning problem. A spatial decision support system supporting the optimization model was developed. Several examples of image acquisition problems are used to demonstrate the complexity of the problem and derive optimized solutions.

  20. LAMBDA — Large Area Medipix3-Based Detector Array

    NASA Astrophysics Data System (ADS)

    Pennicard, D.; Lange, S.; Smoljanin, S.; Hirsemann, H.; Graafsma, H.

    2012-11-01

    Medipix3 is a photon-counting readout chip for X-ray detection. It has a small pixel size (55 μm) and a high frame rate with zero dead time, which makes it attractive for experiments at synchrotrons. Using Medipix3, DESY are developing the LAMBDA (Large Area Medipix3-Based Detector Array) system. A single LAMBDA module carries either a single large silicon sensor of 1536 by 512 pixels, or two smaller high-Z sensors. The sensor is bonded to 12 Medipix3 chips, and mounted on a ceramic carrier board. The readout system for the module then provides a fast FPGA, a large RAM and four 10 Gigabit Ethernet links to allow operation at high frame rates. Multiple modules may then be tiled together a larger area. Currently, the first large silicon modules have been constructed and tested at low speed, and the firmware for fast readout is being developed.

  1. Large Area Crop Inventory Experiment (LACIE). Phase 1: Evaluation report

    NASA Technical Reports Server (NTRS)

    1976-01-01

    It appears that the Large Area Crop Inventory Experiment over the Great Plains, can with a reasonable expectation, be a satisfactory component of a 90/90 production estimator. The area estimator produced more accurate area estimates for the total winter wheat region than for the mixed spring and winter wheat region of the northern Great Plains. The accuracy does appear to degrade somewhat in regions of marginal agriculture where there are small fields and abundant confusion crops. However, it would appear that these regions tend also to be marginal with respect to wheat production and thus increased area estimation errors do not greatly influence the overall production estimation accuracy in the United States. The loss of segments resulting from cloud cover appears to be a random phenomenon that introduces no significant bias into the estimates. This loss does increase the variance of the estimates.

  2. Large Area Crop Inventory Experiment (LACIE). Phase 2 evaluation report

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Documentation of the activities of the Large Area Crop Inventory Experiment during the 1976 Northern Hemisphere crop year is presented. A brief overview of the experiment is included as well as phase two area, yield, and production estimates for the United States Great Plains, Canada, and the Union of Soviet Socialist Republics spring winter wheat regions. The accuracies of these estimates are compared with independent government estimates. Accuracy assessment of the United States Great Plains yardstick region based on a through blind sight analysis is given, and reasons for variations in estimating performance are discussed. Other phase two technical activities including operations, exploratory analysis, reporting, methods of assessment, phase three and advanced system design, technical issues, and developmental activities are also included.

  3. SPLASH: A Southern Parkes Large Area Survey in Hydroxyl

    NASA Astrophysics Data System (ADS)

    Dawson, Joanne; Caswell, James; Gomez, Jose F.; Mcclure-Griffiths, Naomi; Lo, Nadia; Jones, Paul; Dickey, John; Cunningham, Maria; Green, James; Carretti, Ettore; Ellingsen, Simon; Walsh, Andrew; Purcell, Cormac; Breen, Shari; Hennebelle, Patrick; Imai, Hiroshi; Lowe, Vicki; Gibson, Steven; Brown, Courtney; Krishnan, Vasaant

    2014-04-01

    The OH 18 cm lines are powerful and versatile probes of diffuse molecular gas, that trace a largely unstudied component of the Galactic ISM. SPLASH (the Southern Parkes Large Area Survey in Hydroxyl) is a large, unbiased and fully-sampled survey of OH emission, absorption and masers in the Galactic Plane that will achieve sensitivities an order of magnitude better than previous work. The survey is answering critical questions on the global distribution of diffuse OH, the degree to which it traces ‘hidden’ material caught between the regimes probed by traditional tracers of the neutral ISM, and its role as a probe of molecular cloud formation. As a blind survey for all four ground-state transitions, SPLASH is also detecting many new OH masers, facilitating a broad range of astrophysical studies. This proposal requests 250 hours to complete Phase 1 of the SPLASH project, which is mapping 152 square degrees in the inner Galactic Plane, including the Galactic Centre.

  4. The Second Fermi Large Area Telescope GRB Catalog

    NASA Astrophysics Data System (ADS)

    Kocevski, Daniel; Fermi Large Area Telescope Collaboration

    2017-01-01

    The high-energy emission from gamma-ray bursts (GRBs) is a formidable probe of extreme physics, requiring rapid variability from highly relativistic sources. Despite the advancements in our understanding of GRBs through observations by NASA's Swift and Fermi spacecraft, many fundemental questions regarding the particle acceleration and radiative processes associated with these events remain unanswered. Here we present the most extensive search for emission from GRBs above 40 MeV performed by the Fermi Large Area Telescope (LAT). The resulting catalog includes more than 130 detections and represents an improvement in the detection efficency of GRBs at high-energies of over 50% compared to the first LAT GRB catalog. We utilize this improved sensativity to characterize the high-energy emission from GRBs and review how these observations further our understanding of the nature of these events.

  5. A large-area gamma-ray imaging telescope system

    NASA Technical Reports Server (NTRS)

    Koch, D. G.

    1983-01-01

    The concept definition of using the External Tank (ET) of the Space Shuttle as the basis for constructing a large area gamma ray imaging telescope in space is detailed. The telescope will be used to locate and study cosmic sources of gamma rays of energy greater than 100 MeV. Both the telescope properties and the means whereby an ET is used for this purpose are described. A parallel is drawn between those systems that would be common to both a Space Station and this ET application. In addition, those systems necessary for support of the telescope can form the basis for using the ET as part of the Space Station. The major conclusions of this concept definition are that the ET is ideal for making into a gamma ray telescope, and that this telescope will provide a substantial increase in collecting area.

  6. Large area nuclear particle detectors using ET materials, phase 2

    NASA Technical Reports Server (NTRS)

    Wrigley, Charles Y.; Storti, George M.; Walter, Lee; Mathews, Scott

    1990-01-01

    This report presents work done under a Phase 2 SBIR contract for demonstrating large area detector planes utilizing Quantex electron trapping materials as a film medium for storing high-energy nuclide impingement information. The detector planes utilize energy dissipated by passage of the high-energy nuclides to produce localized populations of electrons stored in traps. Readout of the localized trapped electron populations is effected by scanning the ET plane with near-infrared, which frees the trapped electrons and results in optical emission at visible wavelengths. The effort involved both optimizing fabrication technology for the detector planes and developing a readout system capable of high spatial resolution for displaying the recorded nuclide passage tracks.

  7. Towards Large Area Growth of 3C-SiC

    SciTech Connect

    Vasiliauskas, Remigijus; Liljedahl, Rickard; Syvaejaervi, Mikael; Yakimova, Rositza

    2010-11-01

    In this work we have analyzed the possibility of upscaling the growth of 3C-SiC. The growth was done at different temperatures to find limiting mechanisms of the growth rate and to examine the morphology of grown layers. Coverage by 3C-SiC increases when increasing temperature, however more twins appeared. Activation energy of the growth is 130 kcal/mol--showing that growth rate limiting mechanism is sublimation of the source. We discuss the influence of large area 6H-SiC wafers on the formation of 3C-SiC, in which the change in basal plane orientation could also influence the growth of 3C-SiC.

  8. Toward Highly Efficient Large-Area ITO-Free Organic Solar Cells with a Conductance-Gradient Transparent Electrode.

    PubMed

    Zuo, Lijian; Zhang, Shuhua; Li, Hanying; Chen, Hongzheng

    2015-11-18

    Highly efficient large-area organic solar cells (OSCs) with power conversion efficiency up to 7.09%, and device area of 4 cm(2) are demonstrated on flexible substrates. A conductance- or thickness-gradient ultra-thin Ag-based transparent electrode is developed to better balance the light trapping and energy loss, owing to the inhomogeneous energy-loss density on the large OSC sheet. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Spatially explicit shallow landslide susceptibility mapping over large areas

    USGS Publications Warehouse

    Bellugi, Dino; Dietrich, William E.; Stock, Jonathan D.; McKean, Jim; Kazian, Brian; Hargrove, Paul

    2011-01-01

    Recent advances in downscaling climate model precipitation predictions now yield spatially explicit patterns of rainfall that could be used to estimate shallow landslide susceptibility over large areas. In California, the United States Geological Survey is exploring community emergency response to the possible effects of a very large simulated storm event and to do so it has generated downscaled precipitation maps for the storm. To predict the corresponding pattern of shallow landslide susceptibility across the state, we have used the model Shalstab (a coupled steady state runoff and infinite slope stability model) which susceptibility spatially explicit estimates of relative potential instability. Such slope stability models that include the effects of subsurface runoff on potentially destabilizing pore pressure evolution require water routing and hence the definition of upslope drainage area to each potential cell. To calculate drainage area efficiently over a large area we developed a parallel framework to scale-up Shalstab and specifically introduce a new efficient parallel drainage area algorithm which produces seamless results. The single seamless shallow landslide susceptibility map for all of California was accomplished in a short run time, and indicates that much larger areas can be efficiently modelled. As landslide maps generally over predict the extent of instability for any given storm. Local empirical data on the fraction of predicted unstable cells that failed for observed rainfall intensity can be used to specify the likely extent of hazard for a given storm. This suggests that campaigns to collect local precipitation data and detailed shallow landslide location maps after major storms could be used to calibrate models and improve their use in hazard assessment for individual storms.

  10. A new approach for defect inspection on large area masks

    NASA Astrophysics Data System (ADS)

    Scheuring, Gerd; Döbereiner, Stefan; Hillmann, Frank; Falk, Günther; Brück, Hans-Jürgen

    2007-02-01

    Besides the mask market for IC manufacturing, which mainly uses 6 inch sized masks, the market for the so called large area masks is growing very rapidly. Typical applications of these masks are mainly wafer bumping for current packaging processes, color filters on TFTs, and Flip Chip manufacturing. To expose e.g. bumps and similar features on 200 mm wafers under proximity exposure conditions 9 inch masks are used, while in 300 mm wafer bumping processes (Fig. 1) 14 inch masks are handled. Flip Chip manufacturing needs masks up to 28 by 32 inch. This current maximum mask dimension is expected to hold for the next 5 years in industrial production. On the other hand shrinking feature sizes, just as in case of the IC masks, demand enhanced sensitivity of the inspection tools. A defect inspection tool for those masks is valuable for both the mask maker, who has to deliver a defect free mask to his customer, and for the mask user to supervise the mask behavior conditions during its lifetime. This is necessary because large area masks are mainly used for proximity exposures. During this process itself the mask is vulnerable by contacting the resist on top of the wafers. Therefore a regular inspection of the mask after 25, 50, or 100 exposures has to be done during its whole lifetime. Thus critical resist contamination and other defects, which lead to yield losses, can be recognized early. In the future shrinking feature dimensions will require even more sensitive and reliable defect inspection methods than they do presently. Besides the sole inspection capability the tools should also provide highly precise measurement capabilities and extended review options.

  11. Large-Area Epitaxial Monolayer MoS2

    PubMed Central

    2015-01-01

    Two-dimensional semiconductors such as MoS2 are an emerging material family with wide-ranging potential applications in electronics, optoelectronics, and energy harvesting. Large-area growth methods are needed to open the way to applications. Control over lattice orientation during growth remains a challenge. This is needed to minimize or even avoid the formation of grain boundaries, detrimental to electrical, optical, and mechanical properties of MoS2 and other 2D semiconductors. Here, we report on the growth of high-quality monolayer MoS2 with control over lattice orientation. We show that the monolayer film is composed of coalescing single islands with limited numbers of lattice orientation due to an epitaxial growth mechanism. Optical absorbance spectra acquired over large areas show significant absorbance in the high-energy part of the spectrum, indicating that MoS2 could also be interesting for harvesting this region of the solar spectrum and fabrication of UV-sensitive photodetectors. Even though the interaction between the growth substrate and MoS2 is strong enough to induce lattice alignment via van der Waals interaction, we can easily transfer the grown material and fabricate devices. Local potential mapping along channels in field-effect transistors shows that the single-crystal MoS2 grains in our film are well connected, with interfaces that do not degrade the electrical conductivity. This is also confirmed by the relatively large and length-independent mobility in devices with a channel length reaching 80 μm. PMID:25843548

  12. Geometric correction methods for Timepix based large area detectors

    NASA Astrophysics Data System (ADS)

    Zemlicka, J.; Dudak, J.; Karch, J.; Krejci, F.

    2017-01-01

    X-ray micro radiography with the hybrid pixel detectors provides versatile tool for the object inspection in various fields of science. It has proven itself especially suitable for the samples with low intrinsic attenuation contrast (e.g. soft tissue in biology, plastics in material sciences, thin paint layers in cultural heritage, etc.). The limited size of single Medipix type detector (1.96 cm2) was recently overcome by the construction of large area detectors WidePIX assembled of Timepix chips equipped with edgeless silicon sensors. The largest already built device consists of 100 chips and provides fully sensitive area of 14.3 × 14.3 cm2 without any physical gaps between sensors. The pixel resolution of this device is 2560 × 2560 pixels (6.5 Mpix). The unique modular detector layout requires special processing of acquired data to avoid occurring image distortions. It is necessary to use several geometric compensations after standard corrections methods typical for this type of pixel detectors (i.e. flat-field, beam hardening correction). The proposed geometric compensations cover both concept features and particular detector assembly misalignment of individual chip rows of large area detectors based on Timepix assemblies. The former deals with larger border pixels in individual edgeless sensors and their behaviour while the latter grapple with shifts, tilts and steps between detector rows. The real position of all pixels is defined in Cartesian coordinate system and together with non-binary reliability mask it is used for the final image interpolation. The results of geometric corrections for test wire phantoms and paleo botanic material are presented in this article.

  13. Optical nano-woodpiles: large-area metallic photonic crystals and metamaterials.

    PubMed

    Ibbotson, Lindsey A; Demetriadou, Angela; Croxall, Stephen; Hess, Ortwin; Baumberg, Jeremy J

    2015-02-09

    Metallic woodpile photonic crystals and metamaterials operating across the visible spectrum are extremely difficult to construct over large areas, because of the intricate three-dimensional nanostructures and sub-50 nm features demanded. Previous routes use electron-beam lithography or direct laser writing but widespread application is restricted by their expense and low throughput. Scalable approaches including soft lithography, colloidal self-assembly, and interference holography, produce structures limited in feature size, material durability, or geometry. By multiply stacking gold nanowire flexible gratings, we demonstrate a scalable high-fidelity approach for fabricating flexible metallic woodpile photonic crystals, with features down to 10 nm produced in bulk and at low cost. Control of stacking sequence, asymmetry, and orientation elicits great control, with visible-wavelength band-gap reflections exceeding 60%, and with strong induced chirality. Such flexible and stretchable architectures can produce metamaterials with refractive index near zero, and are easily tuned across the IR and visible ranges.

  14. Optical nano-woodpiles: large-area metallic photonic crystals and metamaterials

    PubMed Central

    Ibbotson, Lindsey A.; Demetriadou, Angela; Croxall, Stephen; Hess, Ortwin; Baumberg, Jeremy J.

    2015-01-01

    Metallic woodpile photonic crystals and metamaterials operating across the visible spectrum are extremely difficult to construct over large areas, because of the intricate three-dimensional nanostructures and sub-50 nm features demanded. Previous routes use electron-beam lithography or direct laser writing but widespread application is restricted by their expense and low throughput. Scalable approaches including soft lithography, colloidal self-assembly, and interference holography, produce structures limited in feature size, material durability, or geometry. By multiply stacking gold nanowire flexible gratings, we demonstrate a scalable high-fidelity approach for fabricating flexible metallic woodpile photonic crystals, with features down to 10 nm produced in bulk and at low cost. Control of stacking sequence, asymmetry, and orientation elicits great control, with visible-wavelength band-gap reflections exceeding 60%, and with strong induced chirality. Such flexible and stretchable architectures can produce metamaterials with refractive index near zero, and are easily tuned across the IR and visible ranges. PMID:25660667

  15. Sensing sheets based on large area electronics for fatigue crack detection

    NASA Astrophysics Data System (ADS)

    Yao, Yao; Glisic, Branko

    2015-03-01

    Reliable early-stage damage detection requires continuous structural health monitoring (SHM) over large areas of structure, and with high spatial resolution of sensors. This paper presents the development stage of prototype strain sensing sheets based on Large Area Electronics (LAE), in which thin-film strain gauges and control circuits are integrated on the flexible electronics and deposited on a polyimide sheet that can cover large areas. These sensing sheets were applied for fatigue crack detection on small-scale steel plates. Two types of sensing-sheet interconnects were designed and manufactured, and dense arrays of strain gauge sensors were assembled onto the interconnects. In total, four (two for each design type) strain sensing sheets were created and tested, which were sensitive to strain at virtually every point over the whole sensing sheet area. The sensing sheets were bonded to small-scale steel plates, which had a notch on the boundary so that fatigue cracks could be generated under cyclic loading. The fatigue tests were carried out at the Carleton Laboratory of Columbia University, and the steel plates were attached through a fixture to the loading machine that applied cyclic fatigue load. Fatigue cracks then occurred and propagated across the steel plates, leading to the failure of these test samples. The strain sensor that was close to the notch successfully detected the initialization of fatigue crack and localized the damage on the plate. The strain sensor that was away from the crack successfully detected the propagation of fatigue crack based on the time history of measured strain. Overall, the results of the fatigue tests validated general principles of the strain sensing sheets for crack detection.

  16. Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains.

    PubMed

    Diao, Ying; Tee, Benjamin C-K; Giri, Gaurav; Xu, Jie; Kim, Do Hwan; Becerril, Hector A; Stoltenberg, Randall M; Lee, Tae Hoon; Xue, Gi; Mannsfeld, Stefan C B; Bao, Zhenan

    2013-07-01

    Solution coating of organic semiconductors offers great potential for achieving low-cost manufacturing of large-area and flexible electronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of thin-film morphology. Here, we report an approach--termed fluid-enhanced crystal engineering (FLUENCE)--that allows for a high degree of morphological control of solution-printed thin films. We designed a micropillar-patterned printing blade to induce recirculation in the ink for enhancing crystal growth, and engineered the curvature of the ink meniscus to control crystal nucleation. Using FLUENCE, we demonstrate the fast coating and patterning of millimetre-wide, centimetre-long, highly aligned single-crystalline organic semiconductor thin films. In particular, we fabricated thin films of 6,13-bis(triisopropylsilylethynyl) pentacene having non-equilibrium single-crystalline domains and an unprecedented average and maximum mobilities of 8.1±1.2 cm(2) V(-1) s(-1) and 11 cm(2) V(-1) s(-1). FLUENCE of organic semiconductors with non-equilibrium single-crystalline domains may find use in the fabrication of high-performance, large-area printed electronics.

  17. Electrically tunable terahertz metamaterials with embedded large-area transparent thin-film transistor arrays

    PubMed Central

    Xu, Wei-Zong; Ren, Fang-Fang; Ye, Jiandong; Lu, Hai; Liang, Lanju; Huang, Xiaoming; Liu, Mingkai; Shadrivov, Ilya V.; Powell, David A.; Yu, Guang; Jin, Biaobing; Zhang, Rong; Zheng, Youdou; Tan, Hark Hoe; Jagadish, Chennupati

    2016-01-01

    Engineering metamaterials with tunable resonances are of great importance for improving the functionality and flexibility of terahertz (THz) systems. An ongoing challenge in THz science and technology is to create large-area active metamaterials as building blocks to enable efficient and precise control of THz signals. Here, an active metamaterial device based on enhancement-mode transparent amorphous oxide thin-film transistor arrays for THz modulation is demonstrated. Analytical modelling based on full-wave techniques and multipole theory exhibits excellent consistent with the experimental observations and reveals that the intrinsic resonance mode at 0.75 THz is dominated by an electric response. The resonant behavior can be effectively tuned by controlling the channel conductivity through an external bias. Such metal/oxide thin-film transistor based controllable metamaterials are energy saving, low cost, large area and ready for mass-production, which are expected to be widely used in future THz imaging, sensing, communications and other applications. PMID:27000419

  18. Efficient transfer of large-area graphene films onto rigid substrates by hot pressing.

    PubMed

    Kang, Junmo; Hwang, Soonhwi; Kim, Jae Hwan; Kim, Min Hyeok; Ryu, Jaechul; Seo, Sang Jae; Hong, Byung Hee; Kim, Moon Ki; Choi, Jae-Boong

    2012-06-26

    Graphene films grown on metal substrates by chemical vapor deposition (CVD) method have to be safely transferred onto desired substrates for further applications. Recently, a roll-to-roll (R2R) method has been developed for large-area transfer, which is particularly efficient for flexible target substrates. However, in the case of rigid substrates such as glass or wafers, the roll-based method is found to induce considerable mechanical damages on graphene films during the transfer process, resulting in the degradation of electrical property. Here we introduce an improved dry transfer technique based on a hot-pressing method that can minimize damage on graphene by neutralizing mechanical stress. Thus, we enhanced the transfer efficiency of the large-area graphene films on a substrate with arbitrary thickness and rigidity, evidenced by scanning electron microscope (SEM) and atomic force microscope (AFM) images, Raman spectra, and various electrical characterizations. We also performed a theoretical multiscale simulation from continuum to atomic level to compare the mechanical stresses caused by the R2R and the hot-pressing methods, which also supports our conclusion. Consequently, we believe that the proposed hot-pressing method will be immediately useful for display and solar cell applications that currently require rigid and large substrates.

  19. ITO with embedded silver grids as transparent conductive electrodes for large area organic solar cells.

    PubMed

    Patil, Bhushan R; Mirsafaei, Mina; Cielecki, Paweł Piotr; Cauduro, André Luis Fernandes; Fiutowski, Jacek; Rubahn, Horst-Günter; Madsen, Morten

    2017-10-06

    In this work, development of semi-transparent electrodes for efficient large area organic solar cells (OSCs) has been demonstrated. Electron beam evaporated silver grids were embedded in commercially available ITO coatings on glass, through a standard negative photolithography process, in order to improve the conductivity of planar ITO substrates. The fabricated electrodes with embedded line and square patterned Ag grids reduced the sheet resistance of ITO by 25% and 40%, respectively, showing optical transmittance drops of less than 6% within the complete visible light spectrum for both patterns. Solution processed bulk heterojunction OSCs based on PTB7:[70]PCBM were fabricated on top of these electrodes with cell areas of 4.38 cm(2), and the performance of these OSCs was compared to reference cells fabricated on pure ITO electrodes. The Fill Factor (FF) of the large-scale OSCs fabricated on ITO with embedded Ag grids was enhanced by 18% for the line grids pattern and 30% for the square grids pattern compared to that of the reference OSCs. The increase in the FF was directly correlated to the decrease in the series resistance of the OSCs. The maximum power conversion efficiency (PCE) of the OSCs was measured to be 4.34%, which is 23% higher than the PCE of the reference OSCs. As the presented method does not involve high temperature processing, it could be considered a general approach for development of large area organic electronics on solvent resistant, flexible substrates.

  20. Investigation of welded interconnection of large area wraparound contacted silicon solar cells

    NASA Technical Reports Server (NTRS)

    Lott, D. R.

    1984-01-01

    An investigation was conducted to evaluate the welding and temperature cycle testing of large area 5.9 x 5.9 wraparound silicon solar cells utilizing printed circuit substrates with SSC-155 interconnect copper metals and the LMSC Infrared Controlled weld station. An initial group of 5 welded modules containing Phase 2 developmental 5.9 x 5.9 cm cells were subjected to cyclical temperatures of + or 80 C at a rate of 120 cycles per day. Anomalies were noted in the adhesion of the cell contact metallization; therefore, 5 additional modules were fabricated and tested using available Phase I cells with demonstrated contact integrity. Cycling of the later module type through 12,000 cycles indicated the viability of this type of lightweight flexible array concept. This project demonstrated acceptable use of an alternate interconnect copper in combination with large area wraparound cells and emphasized the necessity to implement weld pull as opposed to solder pull procedures at the cell vendors for cells that will be interconnected by welding.

  1. Electrically tunable terahertz metamaterials with embedded large-area transparent thin-film transistor arrays

    NASA Astrophysics Data System (ADS)

    Xu, Wei-Zong; Ren, Fang-Fang; Ye, Jiandong; Lu, Hai; Liang, Lanju; Huang, Xiaoming; Liu, Mingkai; Shadrivov, Ilya V.; Powell, David A.; Yu, Guang; Jin, Biaobing; Zhang, Rong; Zheng, Youdou; Tan, Hark Hoe; Jagadish, Chennupati

    2016-03-01

    Engineering metamaterials with tunable resonances are of great importance for improving the functionality and flexibility of terahertz (THz) systems. An ongoing challenge in THz science and technology is to create large-area active metamaterials as building blocks to enable efficient and precise control of THz signals. Here, an active metamaterial device based on enhancement-mode transparent amorphous oxide thin-film transistor arrays for THz modulation is demonstrated. Analytical modelling based on full-wave techniques and multipole theory exhibits excellent consistent with the experimental observations and reveals that the intrinsic resonance mode at 0.75 THz is dominated by an electric response. The resonant behavior can be effectively tuned by controlling the channel conductivity through an external bias. Such metal/oxide thin-film transistor based controllable metamaterials are energy saving, low cost, large area and ready for mass-production, which are expected to be widely used in future THz imaging, sensing, communications and other applications.

  2. Electrically tunable terahertz metamaterials with embedded large-area transparent thin-film transistor arrays.

    PubMed

    Xu, Wei-Zong; Ren, Fang-Fang; Ye, Jiandong; Lu, Hai; Liang, Lanju; Huang, Xiaoming; Liu, Mingkai; Shadrivov, Ilya V; Powell, David A; Yu, Guang; Jin, Biaobing; Zhang, Rong; Zheng, Youdou; Tan, Hark Hoe; Jagadish, Chennupati

    2016-03-22

    Engineering metamaterials with tunable resonances are of great importance for improving the functionality and flexibility of terahertz (THz) systems. An ongoing challenge in THz science and technology is to create large-area active metamaterials as building blocks to enable efficient and precise control of THz signals. Here, an active metamaterial device based on enhancement-mode transparent amorphous oxide thin-film transistor arrays for THz modulation is demonstrated. Analytical modelling based on full-wave techniques and multipole theory exhibits excellent consistent with the experimental observations and reveals that the intrinsic resonance mode at 0.75 THz is dominated by an electric response. The resonant behavior can be effectively tuned by controlling the channel conductivity through an external bias. Such metal/oxide thin-film transistor based controllable metamaterials are energy saving, low cost, large area and ready for mass-production, which are expected to be widely used in future THz imaging, sensing, communications and other applications.

  3. A Large Area Tactile Sensor Patch Based on Commercial Force Sensors

    PubMed Central

    Vidal-Verdú, Fernando; Barquero, Maria Jose; Castellanos-Ramos, Julián; Navas-González, Rafael; Sánchez, Jose Antonio; Serón, Javier; García-Cerezo, Alfonso

    2011-01-01

    This paper reports the design of a tactile sensor patch to cover large areas of robots and machines that interact with human beings. Many devices have been proposed to meet such a demand. These realizations are mostly custom-built or developed in the lab. The sensor of this paper is implemented with commercial force sensors. This has the benefit of a more foreseeable response of the sensor if its behavior is understood as the aggregation of readings from all the individual force sensors in the array. A few reported large area tactile sensors are also based on commercial sensors. However, the one in this paper is the first of this kind based on the use of polymeric commercial force sensing resistors (FSR) as unit elements of the array or tactels, which results in a robust sensor. The paper discusses design issues related to some necessary modifications of the force sensor, its assembly in an array, and the signal conditioning. The patch has 16 × 9 force sensors mounted on a flexible printed circuit board with a spatial resolution of 18.5 mm. The force range of a tactel is 6 N and its sensitivity is 0.6 V/N. The array is read at a rate of 78 frames per second. Finally, two simple application examples are also carried out with the sensor mounted on the forearm of a rescue robot that communicates with the sensor through a CAN bus. PMID:22163910

  4. Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains

    NASA Astrophysics Data System (ADS)

    Diao, Ying; Tee, Benjamin C.-K.; Giri, Gaurav; Xu, Jie; Kim, Do Hwan; Becerril, Hector A.; Stoltenberg, Randall M.; Lee, Tae Hoon; Xue, Gi; Mannsfeld, Stefan C. B.; Bao, Zhenan

    2013-07-01

    Solution coating of organic semiconductors offers great potential for achieving low-cost manufacturing of large-area and flexible electronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of thin-film morphology. Here, we report an approach—termed fluid-enhanced crystal engineering (FLUENCE)—that allows for a high degree of morphological control of solution-printed thin films. We designed a micropillar-patterned printing blade to induce recirculation in the ink for enhancing crystal growth, and engineered the curvature of the ink meniscus to control crystal nucleation. Using FLUENCE, we demonstrate the fast coating and patterning of millimetre-wide, centimetre-long, highly aligned single-crystalline organic semiconductor thin films. In particular, we fabricated thin films of 6,13-bis(triisopropylsilylethynyl) pentacene having non-equilibrium single-crystalline domains and an unprecedented average and maximum mobilities of 8.1±1.2 cm2 V-1 s-1 and 11 cm2 V-1 s-1. FLUENCE of organic semiconductors with non-equilibrium single-crystalline domains may find use in the fabrication of high-performance, large-area printed electronics.

  5. ITO with embedded silver grids as transparent conductive electrodes for large area organic solar cells

    NASA Astrophysics Data System (ADS)

    Patil, Bhushan R.; Mirsafaei, Mina; Piotr Cielecki, Paweł; Fernandes Cauduro, André Luis; Fiutowski, Jacek; Rubahn, Horst-Günter; Madsen, Morten

    2017-10-01

    In this work, development of semi-transparent electrodes for efficient large area organic solar cells (OSCs) has been demonstrated. Electron beam evaporated silver grids were embedded in commercially available ITO coatings on glass, through a standard negative photolithography process, in order to improve the conductivity of planar ITO substrates. The fabricated electrodes with embedded line and square patterned Ag grids reduced the sheet resistance of ITO by 25% and 40%, respectively, showing optical transmittance drops of less than 6% within the complete visible light spectrum for both patterns. Solution processed bulk heterojunction OSCs based on PTB7:[70]PCBM were fabricated on top of these electrodes with cell areas of 4.38 cm2, and the performance of these OSCs was compared to reference cells fabricated on pure ITO electrodes. The Fill Factor (FF) of the large-scale OSCs fabricated on ITO with embedded Ag grids was enhanced by 18% for the line grids pattern and 30% for the square grids pattern compared to that of the reference OSCs. The increase in the FF was directly correlated to the decrease in the series resistance of the OSCs. The maximum power conversion efficiency (PCE) of the OSCs was measured to be 4.34%, which is 23% higher than the PCE of the reference OSCs. As the presented method does not involve high temperature processing, it could be considered a general approach for development of large area organic electronics on solvent resistant, flexible substrates.

  6. The role of printing techniques for large-area dye sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Mariani, Paolo; Vesce, Luigi; Di Carlo, Aldo

    2015-10-01

    The versatility of printing technologies and their intrinsic ability to outperform other techniques in large-area deposition gives scope to revolutionize the photovoltaic (PV) manufacturing field. Printing methods are commonly used in conventional silicon-based PVs to cover part of the production process. Screen printing techniques, for example, are applied to deposit electrical contacts on the silicon wafer. However, it is with the advent of third generation PVs that printing/coating techniques have been extensively used in almost all of the manufacturing processes. Among all the third generation PVs, dye sensitized solar cell (DSSC) technology has been developed up to commercialization levels. DSSCs and modules can be fabricated by adopting all of the main printing techniques on both rigid and flexible substrates. This allows an easy tuning of cell/module characteristics to the desired application. Transparency, colour, shape, layout and other DSSC’s features can be easily varied by changing the printing parameters and paste/ink formulations used in the printing process. This review focuses on large-area printing/coating technologies for the fabrication of DSSCs devices. The most used and promising techniques are presented underlining the process parameters and applications.

  7. A large-area strain sensing technology for monitoring fatigue cracks in steel bridges

    NASA Astrophysics Data System (ADS)

    Kong, Xiangxiong; Li, Jian; Collins, William; Bennett, Caroline; Laflamme, Simon; Jo, Hongki

    2017-08-01

    This paper presents a novel large-area strain sensing technology for monitoring fatigue cracks in steel bridges. The technology is based on a soft elastomeric capacitor (SEC), which serves as a flexible and large-area strain gauge. Previous experiments have verified the SEC’s capability to monitor low-cycle fatigue cracks experiencing large plastic deformation and large crack opening. Here an investigation into further extending the SEC’s capability for long-term monitoring of fatigue cracks in steel bridges subject to traffic loading, which experience smaller crack openings. It is proposed that the peak-to-peak amplitude (pk-pk amplitude) of the sensor’s capacitance measurement as the indicator of crack growth to achieve robustness against capacitance drift during long-term monitoring. Then a robust crack monitoring algorithm is developed to reliably identify the level of pk-pk amplitudes through frequency analysis, from which a crack growth index (CGI) is obtained for monitoring fatigue crack growth under various loading conditions. To generate representative fatigue cracks in a laboratory, loading protocols were designed based on constant ranges of stress intensity to limit plastic deformations at the crack tip. A series of small-scale fatigue tests were performed under the designed loading protocols with various stress intensity ratios. Test results under the realistic fatigue crack conditions demonstrated the proposed crack monitoring algorithm can generate robust CGIs which are positively correlated with crack lengths and independent from loading conditions.

  8. The Trigger And Onboard Filter of the GLAST Large Area Telescope

    SciTech Connect

    Hughes, R.; Grove, J.E.; Kocian, M.; Ritz, S.; Russell, J.J.; Siskind, E.; Smith, P.; Winer, B.; Usher, T.; /SLAC

    2007-11-13

    The GLAST Large Area Telescope (LAT) will measure the cosmic gamma-ray flux in the energy range 20 MeV to >300 GeV. The LAT will open a new and important window on a wide variety of high-energy phenomena. Achieving this capability requires a hardware trigger and onboard software event filters that are robust and highly efficient for gamma rays while keeping the event rates due to the much larger fluxes of charged particle backgrounds at an acceptable level. Because of the important discovery windows for science and the uncertainties in the background fluxes, configuration flexibility is a particularly important system feature. This poster describes the purposes and architecture of the system, the components and capabilities of the hardware trigger and onboard software filters, testing and operation experience on the ground, and the on-orbit operations plan and expected performance.

  9. Large area ceramic thin films on plastics: A versatile route via solution processing

    SciTech Connect

    Kozuka, H.; Yamano, A.; Uchiyama, H.; Takahashi, M.; Fukui, T.; Yoki, M.; Akase, T.

    2012-01-01

    A new general route for large area, submicron thick ceramic thin films (crystalline metal oxide thin films) on plastic substrates is presented, where the crystallization of films is guaranteed by a firing process. Gel films are deposited on silicon substrates with a release layer and fired to be ceramic films, followed by transferring onto plastic substrates using adhesives. The ceramic films thus fabricated on plastics exhibit a certain degree of flexibility, implying the possibility of the technique to be applied to high-throughput roll-to-roll processes. Using this technique, we successfully realized transparent anatase thin films that provide high optical reflectance and transparent indium tin oxide thin films that exhibit electrical conductivity on polycarbonate and acrylic resin substrates, respectively. Crystallographically oriented zinc oxide films and patterned zinc oxide films are also demonstrated to be realized on acrylic resin substrates.

  10. Large area ceramic thin films on plastics: A versatile route via solution processing

    NASA Astrophysics Data System (ADS)

    Kozuka, H.; Yamano, A.; Fukui, T.; Uchiyama, H.; Takahashi, M.; Yoki, M.; Akase, T.

    2012-01-01

    A new general route for large area, submicron thick ceramic thin films (crystalline metal oxide thin films) on plastic substrates is presented, where the crystallization of films is guaranteed by a firing process. Gel films are deposited on silicon substrates with a release layer and fired to be ceramic films, followed by transferring onto plastic substrates using adhesives. The ceramic films thus fabricated on plastics exhibit a certain degree of flexibility, implying the possibility of the technique to be applied to high-throughput roll-to-roll processes. Using this technique, we successfully realized transparent anatase thin films that provide high optical reflectance and transparent indium tin oxide thin films that exhibit electrical conductivity on polycarbonate and acrylic resin substrates, respectively. Crystallographically oriented zinc oxide films and patterned zinc oxide films are also demonstrated to be realized on acrylic resin substrates.

  11. Building ISOC Status Displays for the Large AreaTelescope aboard the Gamma Ray Large Area Space Telescope (GLAST) Observatory

    SciTech Connect

    Ketchum, Christina; /SLAC

    2006-09-01

    In September 2007 the Gamma Ray Large Area Space Telescope (GLAST) is scheduled to launch aboard a Delta II rocket in order to put two high-energy gamma-ray detectors, the Large Area Telescope (LAT) and the GLAST Burst Monitor (GBM) into low earth orbit. The Instrument Science Operations Center (ISOC) at SLAC is responsible for the LAT operations for the duration of the mission, and will therefore build an operations center including a monitoring station at SLAC to inform operations staff and visitors of the status of the LAT instrument and GLAST. This monitoring station is to include sky maps showing the location of GLAST in its orbit as well as the LAT's projected field of view on the sky containing known gamma-ray sources. The display also requires a world map showing the locations of GLAST and three Tracking and Data Relay Satellites (TDRS) relative to the ground, their trail lines, and ''footprint'' circles indicating the range of communications for each satellite. The final display will also include a space view showing the orbiting and pointing information of GLAST and the TDRS satellites. In order to build the displays the astronomy programs Xephem, DS9, SatTrack, and STK were employed to model the position of GLAST and pointing information of the LAT instrument, and the programming utilities Python and Cron were used in Unix to obtain updated information from database and load them into the programs at regular intervals. Through these methods the indicated displays were created and combined to produce a monitoring display for the LAT and GLAST.

  12. Cold adaptation of zinc metalloproteases in the thermolysin family from deep sea and arctic sea ice bacteria revealed by catalytic and structural properties and molecular dynamics: new insights into relationship between conformational flexibility and hydrogen bonding.

    PubMed

    Xie, Bin-Bin; Bian, Fei; Chen, Xiu-Lan; He, Hai-Lun; Guo, Jun; Gao, Xiang; Zeng, Yin-Xin; Chen, Bo; Zhou, Bai-Cheng; Zhang, Yu-Zhong

    2009-04-03

    Increased conformational flexibility is the prevailing explanation for the high catalytic efficiency of cold-adapted enzymes at low temperatures. However, less is known about the structural determinants of flexibility. We reported two novel cold-adapted zinc metalloproteases in the thermolysin family, vibriolysin MCP-02 from a deep sea bacterium and vibriolysin E495 from an Arctic sea ice bacterium, and compared them with their mesophilic homolog, pseudolysin from a terrestrial bacterium. Their catalytic efficiencies, k(cat)/K(m) (10-40 degrees C), followed the order pseudolysin < MCP-02 < E495 with a ratio of approximately 1:2:4. MCP-02 and E495 have the same optimal temperature (T(opt), 57 degrees C, 5 degrees C lower than pseudolysin) and apparent melting temperature (T(m) = 64 degrees C, approximately 10 degrees C lower than pseudolysin). Structural analysis showed that the slightly lower stabilities resulted from a decrease in the number of salt bridges. Fluorescence quenching experiments and molecular dynamics simulations showed that the flexibilities of the proteins were pseudolysin < MCP-02 < E495, suggesting that optimization of flexibility is a strategy for cold adaptation. Molecular dynamics results showed that the ordinal increase in flexibility from pseudolysin to MCP-02 and E495, especially the increase from MCP-02 to E495, mainly resulted from the decrease of hydrogen-bond stability in the dynamic structure, which was due to the increase in asparagine, serine, and threonine residues. Finally, a model for the cold adaptation of MCP-02 and E495 was proposed. This is the first report of the optimization of hydrogen-bonding dynamics as a strategy for cold adaptation and provides new insights into the structural basis underlying conformational flexibility.

  13. Methods for Finding Legacy Wells in Large Areas

    SciTech Connect

    Hammack, Richard W.; Veloski, Garret A.; Hodges, D. Greg; White, Jr., Curt M.

    2016-06-16

    United States. When abandoned, many wells were not adequately sealed and now provide a potential conduit for the vertical movement of liquids and gases. Today, groundwater aquifers can be contaminated by surface pollutants flowing down wells or by deep, saline water diffusing upwards. Likewise, natural gas, carbon dioxide (CO2), or radon can travel upwards via these wells to endanger structures or human health on the surface. Recently, the need to find and plug wells has become critical with the advent of carbon dioxide injection into geologic formations for enhanced oil recovery (EOR) or carbon storage. The potential for natural gas or brine leakage through existing wells has also been raised as a concern in regions where shale resources are hydraulically fractured for hydrocarbon recovery. In this study, the National Energy Technology Laboratory (NETL) updated existing, effective well finding techniques to be able to survey large areas quickly using helicopter or ground-vehicle-mounted magnetometers, combined with mobile methane detection. For this study, magnetic data were collected using airborne and ground vehicles equipped with two boom-mounted magnetometers, or on foot using a hand-held magnetometer with a single sensor. Data processing techniques were employed to accentuate well-casing-type magnetic signatures. To locate wells with no magnetic signature (wells where the steel well casing had been removed), the team monitored for anomalous concentrations of methane, which could indicate migration of volatile compounds from deeper sedimentary strata along a well or fracture pathway. Methane measurements were obtained using the ALPIS DIfferential Absorption Lidar (DIAL) sensor for helicopter surveys and the Apogee leak detection system (LDS) for ground surveys. These methods were evaluated at a 100-year-old oilfield in Wyoming, where a helicopter magnetic survey accurately located 93% of visible wells. In addition, 20% of the wells found by the survey were

  14. Methods for Finding Legacy Wells in Large Areas

    SciTech Connect

    Hammack, Richard; Veloski, Garret; Hodges, D. Greg; White, Jr., Charles E.

    2016-06-16

    More than 10 million wells have been drilled during 150 years of oil and gas production in the United States. When abandoned, many wells were not adequately sealed and now provide a potential conduit for the vertical movement of liquids and gases. Today, groundwater aquifers can be contaminated by surface pollutants flowing down wells or by deep, saline water diffusing upwards. Likewise, natural gas, carbon dioxide (CO2), or radon can travel upwards via these wells to endanger structures or human health on the surface. Recently, the need to find and plug wells has become critical with the advent of carbon dioxide injection into geologic formations for enhanced oil recovery (EOR) or carbon storage. The potential for natural gas or brine leakage through existing wells has also been raised as a concern in regions where shale resources are hydraulically fractured for hydrocarbon recovery. In this study, the National Energy Technology Laboratory (NETL) updated existing, effective well finding techniques to be able to survey large areas quickly using helicopter or ground-vehicle-mounted magnetometers, combined with mobile methane detection. For this study, magnetic data were collected using airborne and ground vehicles equipped with two boom-mounted magnetometers, or on foot using a hand-held magnetometer with a single sensor. Data processing techniques were employed to accentuate well-casing-type magnetic signatures. To locate wells with no magnetic signature (wells where the steel well casing had been removed), the team monitored for anomalous concentrations of methane, which could indicate migration of volatile compounds from deeper sedimentary strata along a well or fracture pathway. Methane measurements were obtained using the ALPIS DIfferential Absorption Lidar (DIAL) sensor for helicopter surveys and the Apogee leak detection system (LDS) for ground surveys. These methods were evaluated at a 100-year-old oilfield in Wyoming, where a helicopter magnetic

  15. TFT-Based Active Pixel Sensors for Large Area Thermal Neutron Detection

    NASA Astrophysics Data System (ADS)

    Kunnen, George

    Due to diminishing availability of 3He, which is the critical component of neutron detecting proportional counters, large area flexible arrays are being considered as a potential replacement for neutron detection. A large area flexible array, utilizing semiconductors for both charged particle detection and pixel readout, ensures a large detection surface area in a light weight rugged form. Such a neutron detector could be suitable for deployment at ports of entry. The specific approach used in this research, uses a neutron converter layer which captures incident thermal neutrons, and then emits ionizing charged particles. These ionizing particles cause electron-hole pair generation within a single pixel's integrated sensing diode. The resulting charge is then amplified via a low-noise amplifier. This document begins by discussing the current state of the art in neutron detection and the associated challenges. Then, for the purpose of resolving some of these issues, recent design and modeling efforts towards developing an improved neutron detection system are described. Also presented is a low-noise active pixel sensor (APS) design capable of being implemented in low temperature indium gallium zinc oxide (InGaZnO) or amorphous silicon (a-Si:H) thin film transistor process compatible with plastic substrates. The low gain and limited scalability of this design are improved upon by implementing a new multi-stage self-resetting APS. For each APS design, successful radiation measurements are also presented using PiN diodes for charged particle detection. Next, detection array readout methodologies are modeled and analyzed, and use of a matched filter readout circuit is described as well. Finally, this document discusses detection diode integration with the designed TFT-based APSs.

  16. Fermi Large Area Telescope Operations: Progress Over 4 Years

    SciTech Connect

    Cameron, Robert A.; /SLAC

    2012-06-28

    The Fermi Gamma-ray Space Telescope was launched into orbit in June 2008, and is conducting a multi-year gamma-ray all-sky survey, using the main instrument on Fermi, the Large Area Telescope (LAT). Fermi began its science mission in August 2008, and has now been operating for almost 4 years. The SLAC National Accelerator Laboratory hosts the LAT Instrument Science Operations Center (ISOC), which supports the operation of the LAT in conjunction with the Mission Operations Center (MOC) and the Fermi Science Support Center (FSSC), both at NASA's Goddard Space Flight Center. The LAT has a continuous output data rate of about 1.5 Mbits per second, and data from the LAT are stored on Fermi and transmitted to the ground through TDRS and the MOC to the ISOC about 10 times per day. Several hundred computers at SLAC are used to process LAT data to perform event reconstruction, and gamma-ray photon data are subsequently delivered to the FSSC for public release with a few hours of being detected by the LAT. We summarize the current status of the LAT, and the evolution of the data processing and monitoring performed by the ISOC during the first 4 years of the Fermi mission, together with future plans for further changes to detected event data processing and instrument operations and monitoring.

  17. Interference and nanoimprint lithography for the patterning of large areas

    NASA Astrophysics Data System (ADS)

    Tucher, Nico; Hauser, Hubert; Höhn, Oliver; Kübler, Volker; Wellens, Christine; Müller, Claas; Bläsi, Benedikt

    2017-02-01

    Micro- and nanostructures can be used for reflectance reduction or light guidance in applications like photovoltaic solar cells, LEDs or display technology. The combination of interference lithography and nanoimprint lithography enables the fabrication and replication of high resolution structures on large areas. The origination of master structures, seamlessly patterned on areas as large as 1.2 × 1.2 m2 was shown using interference lithography. Within this work we demonstrate our current results on the up-scaling of the replication process chain based on nanoimprint lithography with in-line capable tools. Application examples in the fields of photovoltaics are demonstrated, e.g. the micron-scale patterning of multicrystalline silicon substrates to increase the solar cell efficiency. Furthermore, the lifetime of soft PDMS stamps is investigated. AFM force-distance measurements are introduced as suitable method to quantify the PDMS hardness as a parameter indicating stamp degradation. This technique is subsequently applied to evaluate two different resist materials. Applying the epoxy material (SU-8) with its more complex molecular structure results in a strongly increased stamp lifetime compared to the acrylate resist (Laromer LR 8996). This is a highly valuable result for further developments towards an up-scaled realization of nanoimprint lithography.

  18. FERMI LARGE AREA TELESCOPE DETECTION OF SUPERNOVA REMNANT RCW 86

    SciTech Connect

    Yuan, Qiang; Huang, Xiaoyuan; Liu, Siming; Zhang, Bing

    2014-04-20

    Using 5.4 yr Fermi Large Area Telescope data, we report the detection of GeV γ-ray emission from the shell-type supernova remnant RCW 86 (G315.4-2.3) with a significance of ∼5.1σ. The data slightly favors an extended emission of this supernova remnant. The spectral index of RCW 86 is found to be very hard, Γ ∼ 1.4, in the 0.4-300 GeV range. A one-zone leptonic model can well fit the multi-wavelength data from radio to very high energy γ-rays. The very hard GeV γ-ray spectrum and the inferred low gas density seem to disfavor a hadronic origin for the γ-rays. The γ-ray behavior of RCW 86 is very similar to several other TeV shell-type supernova remnants, e.g., RX J1713.7-3946, RX J0852.0-4622, SN 1006, and HESS J1731-347.

  19. Complex protein nanopatterns over large areas via colloidal lithography.

    PubMed

    Kristensen, Stine H; Pedersen, Gitte A; Ogaki, Ryosuke; Bochenkov, Vladimir; Nejsum, Lene N; Sutherland, Duncan S

    2013-04-01

    The patterning of biomolecules at the nanoscale provides a powerful method to investigate cellular adhesion processes. A novel method for patterning is presented that is based on colloidal monolayer templating combined with multiple and angled deposition steps. Patterns of gold and SiO2 layers are used to generate complex protein nanopatterns over large areas. Simple circular patches or more complex ring structures are produced in addition to hierarchical patterns of smaller patches. The gold regions are modified through alkanethiol chemistry, which enables the preparation of extracellular matrix proteins (vitronectin) or cellular ligands (the extracellular domain of E-cadherin) in the nanopatterns, whereas the selective poly(l-lysine)-poly(ethylene glycol) functionalization of the SiO2 matrix renders it protein repellent. Cell studies, as a proof of principle, demonstrate the potential for using sets of systematically varied samples with simpler or more complex patterns for studies of cellular adhesive behavior and reveal that the local distribution of proteins within a simple patch critically influences cell adhesion. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  20. Development of a large area space solar cell assembly

    NASA Technical Reports Server (NTRS)

    Spitzer, M. B.

    1982-01-01

    The development of a large area high efficiency solar cell assembly is described. The assembly consists of an ion implanted silicon solar cell and glass cover. The important attributes of fabrication are the use of a back surface field which is compatible with a back surface reflector, and integration of coverglass application and cell fabrications. Cell development experiments concerned optimization of ion implantation processing of 2 ohm-cm boron-doped silicon. Process parameters were selected based on these experiments and cells with area of 34.3 sq cm wre fabricated. The average AMO efficiency of the twenty-five best cells was 13.9% and the best bell had an efficiency of 14.4%. An important innovation in cell encapsulation was also developed. In this technique, the coverglass is applied before the cell is sawed to final size. The coverglass and cell are then sawed as a unit. In this way, the cost of the coverglass is reduced, since the tolerance on glass size is relaxed, and costly coverglass/cell alignment procedures are eliminated. Adhesive investigated were EVA, FEP-Teflon sheet and DC 93-500. Details of processing and results are reported.

  1. Large-area nanogap plasmon resonator arrays for plasmonics applications

    NASA Astrophysics Data System (ADS)

    Jin, Mingliang; van Wolferen, Henk; Wormeester, Herbert; van den Berg, Albert; Carlen, Edwin T.

    2012-07-01

    Large-area (~8000 mm2) Au nanogap plasmon resonator array substrates manufactured using maskless laser interference lithography (LIL) with high uniformity are presented. The periodically spaced subwavelength nanogap arrays are formed between adjacent nanopyramid (NPy) structures with precisely defined pitch and high length density (~1 km cm-2), and are ideally suited as scattering sites for surface enhanced Raman scattering (SERS), as well as refractive index sensing. The two-dimensional grid arrangement of NPy structures renders the excitation of the plasmon resonators minimally dependent on the incident polarization. The SERS average enhancement factor (AEF) has been characterized using over 30 000 individual measurements of benzenethiol (BT) chemisorbed on the Au NPy surfaces. From the 1(a1), βCCC + νCS ring mode (1074 cm-1) of BT on surfaces with pitch λg = 200 nm, AEF = 0.8 × 106 and for surfaces with λg = 500 nm, AEF = 0.3 × 107 from over 99% of the imaged spots. Maximum AEFs > 108 have been measured in both cases.

  2. A large area detector for x-ray applications

    SciTech Connect

    Rodricks, B.; Huang, Qiang; Hopf, R.; Wang, Kemei

    1993-10-01

    A large area detector for x-ray synchrotron applications has been developed. The front end of this device consist of a scintillator coupled to a fiber-optic taper. The fiber-optic taper is comprised of 4 smaller (70 mm x 70 mm) tapers fused together in a square matrix giving an active area of 140 mm x 140 mm. Each taper has a demagnification of 5.5 resulting in four small ends that are 12 mm diagonally across. The small ends of each taper are coupled to four microchannel-plate-based image intensifiers. The output from each image intensifier is focused onto a Charge Coupled Device (CCD) detector. The four CCDs are read out in parallel and are independently controlled. The image intensifiers also act as fast (20 ns) electronic shutters. The system is capable of displaying images in real time. Additionally, with independent control on the readout of each row of data from the CCD, the system is capable of performing high speed imaging through novel readout manipulation.

  3. Ultra-stiff large-area carpets of carbon nanotubes.

    PubMed

    Meysami, Seyyed Shayan; Dallas, Panagiotis; Britton, Jude; Lozano, Juan G; Murdock, Adrian T; Ferraro, Claudio; Gutierrez, Eduardo Saiz; Rijnveld, Niek; Holdway, Philip; Porfyrakis, Kyriakos; Grobert, Nicole

    2016-06-09

    Herewith, we report the influence of post-synthesis heat treatment (≤2350 °C and plasma temperatures) on the crystal structure, defect density, purity, alignment and dispersibility of free-standing large-area (several cm(2)) carpets of ultra-long (several mm) vertically aligned multi-wall carbon nanotubes (VA-MWCNTs). VA-MWCNTs were produced in large quantities (20-30 g per batch) using a semi-scaled-up aerosol-assisted chemical vapour deposition (AACVD) setup. Electron and X-ray diffraction showed that the heat treatment at 2350 °C under inert atmosphere purifies, removes residual catalyst particles, and partially aligns adjacent single crystals (crystallites) in polycrystalline MWCNTs. The purification and improvement in the crystallites alignment within the MWCNTs resulted in reduced dispersibility of the VA-MWCNTs in liquid media. High-resolution microscopy revealed that the crystallinity is improved in scales of few tens of nanometres while the point defects remain largely unaffected. The heat treatment also had a marked benefit on the mechanical properties of the carpets. For the first time, we report compression moduli as high as 120 MPa for VA-MWCNT carpets, i.e. an order of magnitude higher than previously reported figures. The application of higher temperatures (arc-discharge plasma, ≥4000 °C) resulted in the formation of a novel graphite-matrix composite reinforced with CVD and arc-discharge-like carbon nanotubes.

  4. Large Area Nondestructive Evaluation of a Fatigue Loaded Composite Structure

    NASA Technical Reports Server (NTRS)

    Zalameda, Joseph N.; Burke, Eric R.; Horne, Michael R.; Madaras, Eric I.

    2016-01-01

    Large area nondestructive evaluation (NDE) inspections are required for fatigue testing of composite structures to track damage initiation and growth. Of particular interest is the progression of damage leading to ultimate failure to validate damage progression models. In this work, passive thermography and acoustic emission NDE were used to track damage growth up to failure of a composite three-stringer panel. Fourteen acoustic emission sensors were placed on the composite panel. The signals from the array were acquired simultaneously and allowed for acoustic emission location. In addition, real time thermal data of the composite structure were acquired during loading. Details are presented on the mapping of the acoustic emission locations directly onto the thermal imagery to confirm areas of damage growth leading to ultimate failure. This required synchronizing the acoustic emission and thermal data with the applied loading. In addition, processing of the thermal imagery which included contrast enhancement, removal of optical barrel distortion and correction of angular rotation before mapping the acoustic event locations are discussed.

  5. FERMI LARGE AREA TELESCOPE OBSERVATIONS OF THE VELA PULSAR

    SciTech Connect

    Abdo, A. A.; Ackermann, M.; Bartelt, J.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Bogart, J. R.; Atwood, W. B.; Bagagli, R.; Baldini, L.; Bellardi, F.; Bellazzini, R.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Bisello, D.; Baughman, B. M. E-mail: massimiliano.razzano@pi.infn.it

    2009-05-10

    The Vela pulsar is the brightest persistent source in the GeV sky and thus is the traditional first target for new {gamma}-ray observatories. We report here on initial Fermi Large Area Telescope observations during verification phase pointed exposure and early sky survey scanning. We have used the Vela signal to verify Fermi timing and angular resolution. The high-quality pulse profile, with some 32,400 pulsed photons at E {>=} 0.03 GeV, shows new features, including pulse structure as fine as 0.3 ms and a distinct third peak, which shifts in phase with energy. We examine the high-energy behavior of the pulsed emission; initial spectra suggest a phase-averaged power-law index of {gamma} = 1.51{sup +0.05} {sub -0.04} with an exponential cutoff at E{sub c} = 2.9 {+-} 0.1 GeV. Spectral fits with generalized cutoffs of the form e{sup -(E/E{sub c}){sup b}} require b {<=} 1, which is inconsistent with magnetic pair attenuation, and thus favor outer-magnetosphere emission models. Finally, we report on upper limits to any unpulsed component, as might be associated with a surrounding pulsar wind nebula.

  6. High Redshift QSOs in the UKIDSS Large Area Survey

    NASA Astrophysics Data System (ADS)

    Venemans, B. P.

    2007-12-01

    In this proceeding, I will present the first results on our ongoing search for z⪆6 quasars in the UKIDSS Large Area Survey (LAS). The unique infrared sky coverage of the LAS combined with SDSS i and z observations allows us to efficiently search for high redshift quasars with minimal contamination from foreground objects, e.g. galactic cool stars. Analysis of 106 deg^2 of sky from UKIDSS Data Release 1 (DR1) has resulted in the discovery of ULAS J020332.38+001229.2, a luminous (J_{AB}=20.0, M_{1450}=-26.2) quasar at z=5.86. The quasar is not present in the SDSS DR5 catalogue and the continuum spectral index of α=-1.4 (F_{ν}∝ν^{α}) is redder than a composite of SDSS quasars at similar redshifts (α=-0.5). Although it is difficult to draw any strong conclusions regarding the space density of quasars from one object, the discovery of this quasar in ˜100 deg^2 in a complete sample within our selection criteria down to a median depth of Y_{AB}=20.4 (7σ) is consistent with existing SDSS results. Finally, I will present the expected number density of high redshift z>6.5 quasars using future infrared surveys with VISTA.

  7. The Gamma-ray Large Area Space Telescope (GLAST)

    NASA Technical Reports Server (NTRS)

    Ritz, Steve

    2008-01-01

    The Gamma-ray Large Area Space Telescope, GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to more than 300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. The very large field of view will make it possible to observe 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its upcoming launch, GLAST will open a new and important window on a wide variety of phenomena, including black holes and active galactic nuclei; the optical-UV extragalactic background light, gamma-ray bursts; the origin of cosmic rays and supernova remnants; and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations and Lorentz invariance violation. In addition to the science opportunities, this talk includes a description of the instruments, the opportunities for guest investigators, and the mission status.

  8. Screening of high temperature adhesives for large area bonding

    NASA Technical Reports Server (NTRS)

    Stenersen, A. A.; Wykes, D. H.

    1980-01-01

    High temperature-resistant adhesive systems were screened for processability, mechanical and physical properties, operational capability at 589 K (600 F), and the ability to produce large area bonds of high quality in fabricating Space Shuttle components. The adhesives consisted primarily of polyimide systems, including FM34B-18, NR-150B2 (DuPont), PMR-15, LARC-13, LARC-160, Thermid 600, and AI-1130L (AMOCA). The processing studies included preparation of polyimide resins, fabrication of film adhesives, development of lay-up and cure procedures, fabrication of honeycomb sandwich panels, and fabrication of mid-plane bonded panels in joints up to 30.5 cm (12 in.) wide. The screening program included tests for tack and drape properties, reticulation and filleting characteristics, ability to produce void-free or low porosity bonds in mid-plane bonded panels, out-time stability, lap shear strength, climbing drum peel strength, and glass transition temperature (Tg). This paper describes the processing methods developed and the test results.

  9. Pulsar simulations for the Fermi Large Area Telescope

    DOE PAGES

    Razzano, M.; Harding, Alice K.; Baldini, L.; ...

    2009-05-21

    Pulsars are among the prime targets for the Large Area Telescope (LAT) aboard the recently launched Fermi observatory. The LAT will study the gamma-ray Universe between 20 MeV and 300 GeV with unprecedented detail. Increasing numbers of gamma-ray pulsars are being firmly identified, yet their emission mechanisms are far from being understood. To better investigate and exploit the LAT capabilities for pulsar science, a set of new detailed pulsar simulation tools have been developed within the LAT collaboration. The structure of the pulsar simulator package (PulsarSpectrum) is presented here. Starting from photon distributions in energy and phase obtained from theoreticalmore » calculations or phenomenological considerations, gamma-rays are generated and their arrival times at the spacecraft are determined by taking into account effects such as barycentric effects and timing noise. Pulsars in binary systems also can be simulated given orbital parameters. As a result, we present how simulations can be used for generating a realistic set of gamma-rays as observed by the LAT, focusing on some case studies that show the performance of the LAT for pulsar observations.« less

  10. Continuous Large-Area Micrometeoroid Flux Measuring Instrument

    NASA Astrophysics Data System (ADS)

    Corsaro, R.; Liou, J. C.; Giovane, F.; Tsou, P.

    2007-01-01

    The characterization of dust populations between 100 microns and 1 cm is a key component to improving our understanding of the ongoing physical processes of asteroids, comets, Kuiper Belt objects, planetary rings and planetary satellites. It is also critical for satellite impact risk assessments in the near Earth environment, and future explorations to the Moon, Mars, Jupiter, Saturn, etc. There is a lack of data in this critical size regime, with present in situ detection capability limited to particles 10 microns or smaller.The instrument described here is capable of continuously measuring the flux of orbital debris in the near Earth environment, and micrometeoroids present in interplanetary space or on planetary surfaces for future solar system exploration missions. It uses a fiber optic displacement sensor suite installed on the framework supporting the thin fabric film. This sensor suite monitors fabric motion generated by particle impacts, while also providing a record of fabric tension and integrity. Such an instrument is particularly well suited for use on large area structures, such as inflatable structures and solar sails (Fig. 1).

  11. Dark Matter Searches with the Fermi Large Area Telescope

    SciTech Connect

    Meurer, Christine

    2008-12-24

    The Fermi Gamma-Ray Space Telescope, successfully launched on June 11th, 2008, is the next generation satellite experiment for high-energy gamma-ray astronomy. The main instrument, the Fermi Large Area Telescope (LAT), with a wide field of view (>2 sr), a large effective area (>8000 cm{sup 2} at 1 GeV), sub-arcminute source localization, a large energy range (20 MeV-300 GeV) and a good energy resolution (close to 8% at 1 GeV), has excellent potential to either discover or to constrain a Dark Matter signal. The Fermi LAT team pursues complementary searches for signatures of particle Dark Matter in different search regions such as the galactic center, galactic satellites and subhalos, the milky way halo, extragalactic regions as well as the search for spectral lines. In these proceedings we examine the potential of the LAT to detect gamma-rays coming from Weakly Interacting Massive Particle annihilations in these regions with special focus on the galactic center region.

  12. Large area patterning using interference and nanoimprint lithography

    NASA Astrophysics Data System (ADS)

    Bläsi, B.; Tucher, N.; Höhn, O.; Kübler, V.; Kroyer, T.; Wellens, Ch.; Hauser, H.

    2016-04-01

    Interference lithography (IL) is the best suited technology for the origination of large area master structures with high resolution. In prior works, we seamlessly pattern areas of up to 1.2 x 1.2 m2 with periodic features, i.e. a diffraction grating with a period in the micron range. For this process we use an argon ion laser emitting at 363.8 nm. Thus, feasible periods are in the range of 100 μm to 200 nm. Edge-defined techniques or also called (self-aligned) double patterning processes can be used to double the spatial frequency of such structures. This way, we aim to reduce achievable periods further down to 100 nm. In order to replicate master structures, we make use of nanoimprint lithography (NIL) processes. In this work, we present results using IL as mastering and NIL as replication technology in the fields of photovoltaics as well as display and lighting applications. In photovoltaics different concepts like the micron-scale patterning of the front side as well as the realization of rear side diffraction gratings are presented. The benefit for each is shown on final device level. In the context of display and lighting applications, we realized various structures ranging from designed, symmetric or asymmetric, diffusers, antireflective and/or antiglare structures, polarization optical elements (wire grid polarizers), light guidance and light outcoupling structures.

  13. Large area, Few Layer Graphene Films on Insulating Substrates

    NASA Astrophysics Data System (ADS)

    Kong, Jing

    2009-03-01

    Graphene has exceptional electronic, thermal and mechanical properties. For the realization of graphene-related applications, it is necessary to develop reliable and low cost fabrication methods of graphene-based structures, ideally on any substrates. In this talk I will present our method of fabricating large area (˜cm^2) films of single- to few-layer graphene and transferring the films to arbitrary substrates. The graphene films are synthesized by ambient pressure Chemical Vapor Deposition, consist of regions of 1 to ˜10 graphene layers and have an average thickness of 2-3 nm. Despite their ultra-thin nature, the films thus produced are continuous over the entire area. Regions of single- or bi-layer graphene with lateral sizes of up to 25 μm were observed. High Resolution Transmission Electron Microscopy (HRTEM) and electron diffraction revealed that they are crystalline over the entire area and their Raman features were compared to those of graphene derived from mechanical exfoliation of Highly Oriented Pyrolytic Graphite (HOPG). Transistor devices made from these graphene show similar characteristics to ones made from graphitized SiC. Scanning tunneling microscopy imaging reveals interesting Mori'e patterns and helpful insights for the growth of the graphene films on the Ni substrate. The method presented in this work can potentially be scaled to industrial production of graphene films, for applications such as ultra-thin conductive and transparent electrodes, or devices and interconnect for integrated circuits.

  14. Saturn: A large area x-ray simulation accelerator

    SciTech Connect

    Bloomquist, D.D.; Stinnett, R.W.; McDaniel, D.H.; Lee, J.R.; Sharpe, A.W.; Halbleib, J.A.; Schlitt, L.G.; Spence, P.W.; Corcoran, P.

    1987-01-01

    Saturn is the result of a major metamorphosis of the Particle Beam Fusion Accelerator-I (PBFA-I) from an ICF research facility to the large-area x-ray source of the Simulation Technology Laboratory (STL) project. Renamed Saturn, for its unique multiple-ring diode design, the facility is designed to take advantage of the numerous advances in pulsed power technology made by the ICF program in recent years and much of the existing PBFA-I support system. Saturn will include significant upgrades in the energy storage and pulse-forming sections. The 36 magnetically insulated transmission lines (MITLs) that provided power flow to the ion diode of PBFA-I were replaced by a system of vertical triplate water transmission lines. These lines are connected to three horizontal triplate disks in a water convolute section. Power will flow through an insulator stack into radial MITLs that drive the three-ring diode. Saturn is designed to operate with a maximum of 750 kJ coupled to the three-ring e-beam diode with a peak power of 25 TW to provide an x-ray exposure capability of 5 x 10/sup 12/ rads/s (Si) and 5 cal/g (Au) over 500 cm/sup 2/.

  15. An advanced open path atmospheric pollution monitor for large areas

    SciTech Connect

    Taylor, L.; Suhre, D.; Mani, S.

    1996-12-31

    Over 100 million gallons of radioactive and toxic waste materials generated in weapon materials production are stored in 322 tanks buried within large areas at DOE sites. Toxic vapors occur in the tank headspace due to the solvents used and chemical reactions within the tanks. To prevent flammable or explosive concentration of volatile vapors, the headspace are vented, either manually or automatically, to the atmosphere when the headspace pressure exceeds preset values. Furthermore, 67 of the 177 tanks at the DOE Hanford Site are suspected or are known to be leaking into the ground. These underground storage tanks are grouped into tank farms which contain closely spaced tanks in areas as large as 1 km{sup 2}. The objective of this program is to protect DOE personnel and the public by monitoring the air above these tank farms for toxic air pollutants without the monitor entering the tanks farms, which can be radioactive. A secondary objective is to protect personnel by monitoring the air above buried 50 gallon drums containing moderately low radioactive materials but which could also emit toxic air pollutants.

  16. Large area CNT-Si heterojunction for photodetection

    NASA Astrophysics Data System (ADS)

    Aramo, C.; Ambrosio, M.; Bonavolontà, C.; Boscardin, M.; Crivellari, M.; de Lisio, C.; Grossi, V.; Maddalena, P.; Passacantando, M.; Valentino, M.

    2017-02-01

    Multiwall carbon nanotubes (MWCNTs) consist of multiple layers of graphite sheets arranged in concentric cylinders, from two to many tens. These systems are closely related to graphite layers but in some features, MWCNTs behave quite differently from graphite. In particular, their ability to generate a photocurrent in a wide wavelength range has been demonstrated either without or with the application of a draining voltage. In addition, the photocurrent signal has been found to reproduce the optical absorbance of MWCNTs, showing a maximum in the near UV region. In this paper main characteristics of a novel large area photodetector featuring low noise, high linearity and efficiency are reported. This detector has been obtained by coupling the optoelectronic characteristics of MWCNTs with the well-known properties of silicon. MWCNTs are growth on n-doped silicon layer by chemical vapour deposition creating a p-n heterojunction with high sensitivity to the radiation from UV to IR. An additional MIS junction is obtained with a metallic conductive layer deposited on the back of silicon substrate. Moreover, first results on the signals generated by pulsed laser are also reported.

  17. First Results from the Large Area Lyman Alpha Survey

    NASA Astrophysics Data System (ADS)

    Rhoads, J. E.; Malhotra, S.; Dey, A.; Stern, D.; Spinrad, H.; Jannuzi, B. T.

    1999-12-01

    Young galaxies undergoing their first burst of star formation are expected to have strong Lyman-α emission, due to low metallicity and dust content. However, studies to date have found comparatively small samples of such objects. We have embarked on a major project to obtain a statistically useful sample of several hundred Lyman-α emitters at z 4.5 (the Large Area Lyman Alpha, or LALA, survey). We are using the 8k x 8k CCD Mosaic camera at the Kitt Peak National Observatory 4m Mayall telescope. To date, we have surveyed a total volume of 1.3 x 106 comoving Mpc^3 (H_0 =70, \\Omega_m =0.2, \\Lambda=0) to 5 \\sigma flux limits of (1.8 to 2.6) \\times 10^{-17} erg/cm^2 /s. We are finding an emission line object density of 9 deg-2 Angstroms-1 with narrowband flux between 2.6 and 5.2 x 10-17 erg/cm2/ s at wavelength \\lambda \\simeq 6640 Angstroms. Our first spectroscopic followup with the Keck 10m telescope implies that \\sim 1/3 to 1/2 of these are z\\approx 4.5 Lyman-\\alpha emitters, and that the density of Lyman-\\alpha emitters in this restricted flux range is \\sim 4000 deg^{-2} (unit z)^{-1}, or \\sim 9\\times 10^{-4} Mpc^{-3}$ for our assumed cosmology.

  18. Fermi Large Area Telescope as a Galactic Supernovae Axionscope

    DOE PAGES

    Meyer, M.; Giannotti, M.; Mirizzi, A.; ...

    2017-01-06

    In a Galactic core-collapse supernova (SN), axionlike particles (ALPs) could be emitted via the Primakoff process and eventually convert into γ rays in the magnetic field of the Milky Way. From a data-driven sensitivity estimate, we find that, for a SN exploding in our Galaxy, the Fermi Large Area Telescope (LAT) would be able to explore the photon-ALP coupling down to gaγ ≃ 2 × 10-13 GeV-1 for an ALP mass ma ≲ 10-9 eV. Also, these values are out of reach of next generation laboratory experiments. In this event, the Fermi LAT would probe large regions of the ALPmore » parameter space invoked to explain the anomalous transparency of the Universe to γ rays, stellar cooling anomalies, and cold dark matter. Lastly, if no γ-ray emission were to be detected, Fermi-LAT observations would improve current bounds derived from SN 1987A by more than 1 order of magnitude.« less

  19. The Gamma-Ray Large Area Space Telescope

    NASA Technical Reports Server (NTRS)

    Ritz, Steve

    2008-01-01

    The Gamma-ray Large Area Space Telescope, GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to more than 300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. The very large field of view will make it possible to observe 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its upcoming launch, GLAST will open a new and important window on a wide variety of high-energy phenomena, including black holes and active galactic nuclei; the optical-UV extragalactic background light, gamma-ray bursts; the origin of cosmic rays and supernova remnants; and searches for signals of hypothetical new phenomena such as supersymmetric dark matter annihilations. In addition to the science opportunities, this talk includes a brief description of the instruments, the opportunities for guest investigators, and the mission status.

  20. The Gamma-ray Large Area Space Telescope (GLAST)

    NASA Technical Reports Server (NTRS)

    Ritz, Steve

    2008-01-01

    The Gamma-ray Large Area Space Telescope, GLAST, is a mission to measure the cosmic gamma-ray flux in the energy range 20 MeV to more than 300 GeV, with supporting measurements for gamma-ray bursts from 8 keV to 30 MeV. The very large field of view will make it possible to observe 20% of the sky at any instant, and the entire sky on a timescale of a few hours. With its upcoming launch, GLAST will open a new and important window on a wide variety of phenomena, including black holes and active galactic nuclei; the optical-UV extragalactic background light, gamma-ray bursts; the origin of cosmic rays and supernova remnants; and searches for hypothetical new phenomena such as supersymmetric dark matter annihilations and Lorentz invariance violation. In addition to the science opportunities, this talk includes a description of the instruments, the opportunities for guest investigators, and the mission status.

  1. Fermi Large Area Telescope as a Galactic Supernovae Axionscope

    NASA Astrophysics Data System (ADS)

    Meyer, M.; Giannotti, M.; Mirizzi, A.; Conrad, J.; Sánchez-Conde, M. A.

    2017-01-01

    In a Galactic core-collapse supernova (SN), axionlike particles (ALPs) could be emitted via the Primakoff process and eventually convert into γ rays in the magnetic field of the Milky Way. From a data-driven sensitivity estimate, we find that, for a SN exploding in our Galaxy, the Fermi Large Area Telescope (LAT) would be able to explore the photon-ALP coupling down to ga γ≃2 ×10-13 GeV-1 for an ALP mass ma≲10-9 eV . These values are out of reach of next generation laboratory experiments. In this event, the Fermi LAT would probe large regions of the ALP parameter space invoked to explain the anomalous transparency of the Universe to γ rays, stellar cooling anomalies, and cold dark matter. If no γ -ray emission were to be detected, Fermi-LAT observations would improve current bounds derived from SN 1987A by more than 1 order of magnitude.

  2. Pulsar Simulations for the Fermi Large Area Telescope

    NASA Technical Reports Server (NTRS)

    Razzano, M.; Harding, A. K.; Baldini, L.; Bellazzini, R.; Bregeon, J.; Burnett, T.; Chiang, J.; Digel, S. W.; Dubois, R.; Kuss, M. W.; hide

    2009-01-01

    Pulsars are among the prime targets for the Large Area Telescope (LAT) aboard the recently launched Fermi observatory. The LAT will study the gamma-ray Universe between 20 MeV and 300 GeV with unprecedented detail. Increasing numbers of gamma-ray pulsars are being firmly identified, yet their emission mechanisms are far from being understood. To better investigate and exploit the tAT capabilities for pulsar science. a set of new detailed pulsar simulation tools have been developed within the LAT collaboration. The structure of the pulsar simulator package (PulsarSpeccrum) is presented here. Starting from photon distributions in energy and phase obtained from theoretical calculations or phenomenological considerations, gamma-rays are generated and their arrival times at the spacecraft are determined by taking Into account effects such as barycentric effects and timing noise. Pulsars in binary systems also can be simulated given orbital parameters. We present how simulations can be used for generating a realistic set of gamma rays as observed by the LAT, focusing on some case studies that show the performance of the LAT for pulsar observations.

  3. Influence of the Earth's magnetic field on large area photomultipliers

    SciTech Connect

    Leonora, E.; Aiello, S.; Leotta, G.

    2011-07-01

    The influence of the Earth's magnetic field on large area photomultipliers proposed for a future deep sea neutrino telescope was studied under the EU-funded KM3NeT design study. The aims were to evaluate variations in PMT performance in the Earth's magnetic field and to decide whether the use of magnetic shielding is necessary. Measurements were performed on three Hamamatsu PMTs: two 8-inch R5912 types, one of these with super-bi-alkali photocathode, and a 10-inch R7081 type with a standard bi-alkali photocathode. The various characteristics of the PMTs were measured while varying the PMT orientations with respect to the Earth's magnetic field, both with and without a mu-metal cage as magnetic shield. In the 8-inch PMTs the impact of the magnetic field was found to be smaller than that on the 10-inch PMT. The increased quantum efficiency in the 8 super-bi-alkali PMT almost compensated its smaller detection surface compared to the 10' PMT. No significant effects were measured upon transit time and the fraction of spurious pulses. (authors)

  4. Removable Large-Area Ultrasmooth Silver Nanowire Transparent Composite Electrode.

    PubMed

    Jin, Yunxia; Wang, Kaiqing; Cheng, Yuanrong; Pei, Qibing; Xu, Yuxi; Xiao, Fei

    2017-02-08

    In this work, a composite silver nanowire (AgNW) transparent electrode that is large-area ultrasmooth without conductivity or transmittance scarifice, removable but with good resistance to both water and organic solvent, is reported. Via a simple low-temperature solution process without complicated transfer steps or additional pressure pressing, a new kind of AgNWs composite with biocompatible and patternable chitosan polymer complex demonstrates a quite low root-mean-square roughness ∼7 nm at a largest reported scan size of 50 μm × 50 μm, which is among the best flat surface. After long-term exposure to both water and organic solvent, it still shows strong adhesion, unchanged transparency, and no obvious conductivity reduction, suggesting a good stability staying on the substrate. Meanwhile, the polymer and silver nanowire in the composite electrode can be damaged via the same process through concentrated acid or base etching to leave off the substrate, allowing a simple patterning technology. Besides, the imported insulating polymer does not lower down the opto-electrical performance, and a high figure of merit close to 300 is obtained for the composite electrode, significantly outperforming the optoelectronic performance of indium-tin oxide (ITO) coated plastics (∼100) and comparable to ITO-coated glass. It shows great advantage to replace ITO as a promising transparent electrode.

  5. Development of a large area space solar cell assembly

    NASA Astrophysics Data System (ADS)

    Spitzer, M. B.

    1982-05-01

    The development of a large area high efficiency solar cell assembly is described. The assembly consists of an ion implanted silicon solar cell and glass cover. The important attributes of fabrication are the use of a back surface field which is compatible with a back surface reflector, and integration of coverglass application and cell fabrications. Cell development experiments concerned optimization of ion implantation processing of 2 ohm-cm boron-doped silicon. Process parameters were selected based on these experiments and cells with area of 34.3 sq cm wre fabricated. The average AMO efficiency of the twenty-five best cells was 13.9% and the best bell had an efficiency of 14.4%. An important innovation in cell encapsulation was also developed. In this technique, the coverglass is applied before the cell is sawed to final size. The coverglass and cell are then sawed as a unit. In this way, the cost of the coverglass is reduced, since the tolerance on glass size is relaxed, and costly coverglass/cell alignment procedures are eliminated. Adhesive investigated were EVA, FEP-Teflon sheet and DC 93-500. Details of processing and results are reported.

  6. A Prototype Large Area Detector Module for Muon Scattering Tomography

    SciTech Connect

    Steer, C.A.; Boakes, J.; Burns, J.; Snow, S.; Stapleton, M.; Thompson, L.F.; Quillin, S.

    2015-07-01

    Abstract-Shielded special nuclear materials (SNM) are of concern as some fissile isotopes have low gamma and neutron emission rates. These materials are also easily shielded to the point where their passive emissions are comparable to background. Consequently, shielded SNM is very challenging for passive radiation detection portals which scan cargo containers. One potential solution for this is to utilise the natural cosmic ray muon background and examine how these muons scatter from materials inside the container volume, terms; the muon scattering tomography (MST) technique measures the three-dimensional localised scattering at all points within a cargo container, providing a degree of material discrimination. There is the additional benefit that the MST signal increases with the presence of more high density shielding materials, in contrast to passive radiation detection. Simulations and calculations suggest that the effectiveness of the technique is sensitive to the tracking accuracy amongst other parameters, motivating the need to develop practical detector systems that are capable of tracking cosmic ray muons. To this end, we have constructed