Solution Coating of Superior Large-Area Flexible Perovskite Thin Films with Controlled Crystal Packing

KAUST Repository

Li, Jianbo

2017-05-08

Solution coating of organohalide lead perovskites offers great potential for achieving low-cost manufacturing of large-area flexible optoelectronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of crystal packing. Herein, this study reports using solution shearing to confine crystal nucleation and growth in large-area printed MAPbI3 thin films. Near single-crystalline perovskite microarrays are demonstrated with a high degree of controlled macroscopic alignment and crystal orientation, which exhibit significant improvements in optical and optoelectronic properties comparing with their random counterparts, spherulitic, and nanograined films. In particular, photodetectors based on the confined films showing intense anisotropy in charge transport are fabricated, and the device exhibits significantly improved performance in all aspects by one more orders of magnitude relative to their random counterparts. It is anticipated that perovskite films with controlled crystal packing may find applications in high-performance, large-area printed optoelectronics, and solar cells.

Solution Coating of Superior Large-Area Flexible Perovskite Thin Films with Controlled Crystal Packing

KAUST Repository

Li, Jianbo; Liu, Yucheng; Ren, Xiaodong; Yang, Zhou; Li, Ruipeng; Su, Hang; Yang, Xiaoming; Xu, Junzhuo; Xu, Hua; Hu, Jian-Yong; Amassian, Aram; Zhao, Kui; Liu, Shengzhong Frank

2017-01-01

Solution coating of organohalide lead perovskites offers great potential for achieving low-cost manufacturing of large-area flexible optoelectronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of crystal packing. Herein, this study reports using solution shearing to confine crystal nucleation and growth in large-area printed MAPbI3 thin films. Near single-crystalline perovskite microarrays are demonstrated with a high degree of controlled macroscopic alignment and crystal orientation, which exhibit significant improvements in optical and optoelectronic properties comparing with their random counterparts, spherulitic, and nanograined films. In particular, photodetectors based on the confined films showing intense anisotropy in charge transport are fabricated, and the device exhibits significantly improved performance in all aspects by one more orders of magnitude relative to their random counterparts. It is anticipated that perovskite films with controlled crystal packing may find applications in high-performance, large-area printed optoelectronics, and solar cells.

An Indium-Free Anode for Large-Area Flexible OLEDs: Defect-Free Transparent Conductive Zinc Tin Oxide

NARCIS (Netherlands)

Morales-Masis, M.; Dauzou, F.; Jeangros, Q.; Dabirian, A.; Lifka, H.; Gierth, R.; Ruske, M.; Moet, D.; Hessler-Wyser, A.; Ballif, C.

2016-01-01

Flexible large-area organic light-emitting diodes (OLEDs) require highly conductive and transparent anodes for efficient and uniform light emission. Tin-doped indium oxide (ITO) is the standard anode in industry. However, due to the scarcity of indium, alternative anodes that eliminate its use are

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

Science.gov (United States)

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.

A round robin study of flexible large-area roll-to-roll processed polymer solar cell modules

DEFF Research Database (Denmark)

Krebs, Frederik C; Gevorgyan, Suren; Gholamkhass, Bobak

2009-01-01

A round robin for the performance of roll-to-roll coated flexible large-area polymer solar-cell modules involving 18 different laboratories in Northern America, Europe and Middle East is presented. The study involved the performance measurement of the devices at one location (Risø DTU) followed b...

Roll-coating fabrication of flexible large area small molecule solar cells with power conversion efficiency exceeding 1%

DEFF Research Database (Denmark)

Liu, Wenqing; Liu, Shiyong; Zawacka, Natalia Klaudia

2014-01-01

All solution-processed flexible large area small molecule bulk heterojunction solar cells were fabricated via roll-coating technology. Our devices were produced from slot-die coating on a lab-scale mini roll-coater under ambient conditions without the use of spin-coating or vacuum evaporation.......01%, combined with an open circuit voltage of 0.73 V, a short-circuit current density of 3.13 mA cm (2) and a fill factor of 44% were obtained for the device with SM1, which was the first example reported for efficient roll-coating fabrication of flexible large area small molecule solar cells with PCE exceeding...... methods. Four diketopyrrolopyrrole based small molecules (SMs 1-4) were utilized as electron donors with (6,6)phenyl- C61-butyric acid methyl ester as an acceptor and their photovoltaic performances based on roll-coated devices were investigated. The best power conversion efficiency (PCE) of 1...

Inkjet printed large-area flexible circuits: a simple methodology for optimizing the printing quality

Science.gov (United States)

Cheng, Tao; Wu, Youwei; Shen, Xiaoqin; Lai, Wenyong; Huang, Wei

2018-01-01

In this work, a simple methodology was developed to enhance the patterning resolution of inkjet printing, involving process optimization as well as substrate modification and treatment. The line width of the inkjet-printed silver lines was successfully reduced to 1/3 of the original value using this methodology. Large-area flexible circuits with delicate patterns and good morphology were thus fabricated. The resultant flexible circuits showed excellent electrical conductivity as low as 4.5 Ω/□ and strong tolerance to mechanical bending. The simple methodology is also applicable to substrates with various wettability, which suggests a general strategy to enhance the printing quality of inkjet printing for manufacturing high-performance large-area flexible electronics. Project supported by the National Key Basic Research Program of China (Nos. 2014CB648300, 2017YFB0404501), the National Natural Science Foundation of China (Nos. 21422402, 21674050), the Natural Science Foundation of Jiangsu Province (Nos. BK20140060, BK20130037, BK20140865, BM2012010), the Program for Jiangsu Specially-Appointed Professors (No. RK030STP15001), the Program for New Century Excellent Talents in University (No. NCET-13-0872), the NUPT "1311 Project" and Scientific Foundation (Nos. NY213119, NY213169), the Synergetic Innovation Center for Organic Electronics and Information Displays, the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), the Leading Talent of Technological Innovation of National Ten-Thousands Talents Program of China, the Excellent Scientific and Technological Innovative Teams of Jiangsu Higher Education Institutions (No. TJ217038), the Program for Graduate Students Research and Innovation of Jiangsu Province (No. KYZZ16-0253), and the 333 Project of Jiangsu Province (Nos. BRA2017402, BRA2015374).

Conformal and Nearly Conformal Theories at Large N

Science.gov (United States)

Tarnoplskiy, Grigory M.

In this thesis we present new results in conformal and nearly conformal field theories in various dimensions. In chapter two, we study different properties of the conformal Quantum Electrodynamics (QED) in continuous dimension d. At first we study conformal QED using large Nf methods, where Nf is the number of massless fermions. We compute its sphere free energy as a function of d, ignoring the terms of order 1/Nf and higher. For finite Nf we use the epsilon-expansion. Next we use a large Nf diagrammatic approach to calculate the leading corrections to CT, the coefficient of the two-point function of the stress-energy tensor, and CJ, the coefficient of the two-point function of the global symmetry current. We present explicit formulae as a function of d and check them versus the expectations in 2 and 4 - epsilon dimensions. In chapter three, we discuss vacuum stability in 1 + 1 dimensional conformal field theories with external background fields. We show that the vacuum decay rate is given by a non-local two-form. This two-form is a boundary term that must be added to the effective in/out Lagrangian. The two-form is expressed in terms of a Riemann-Hilbert decomposition for background gauge fields, and is given by its novel "functional'' version in the gravitational case. In chapter four, we explore Tensor models. Such models possess the large N limit dominated by the melon diagrams. The quantum mechanics of a real anti-commuting rank-3 tensor has a large N limit similar to the Sachdev-Ye-Kitaev (SYK) model. We also discuss the quantum mechanics of a complex 3-index anti-commuting tensor and argue that it is equivalent in the large N limit to a version of SYK model with complex fermions. Finally, we discuss models of a commuting tensor in dimension d. We study the spectrum of the large N quantum field theory of bosonic rank-3 tensors using the Schwinger-Dyson equations. We compare some of these results with the 4 - epsilon expansion, finding perfect agreement. We

An extension of the counterion condensation theory to conformational changes of flexible polymers

International Nuclear Information System (INIS)

Benegas, J.C.; Cesaro, A.

1988-01-01

A full report on a statistical model is presented in which an ionic polymer is taken as an aggregate of linear flexible segments (similar to the spring-bead model). This model is thought to represent fairly well some flexible ionic polymers in solution. The model assumes two factorizable energy contributions, one purely conformational the other electrostatic. The first contribution is calculated from distribution function of the end-to-end distances and can be obtained from numerical Monte Carlo calculations of chain conformations. The second contribution is the excess thermodynamic property and is calculated, by using Manning's theory of linear polyelectrolytes, as a function of the degree of ionization and of a number of physical variables. Procedures to evaluate changes in the chain conformation of polysaccharides and polypeptides bearing ionizable charged groups are presented. The results show excellent quantitative agreement of averaged functions and experimental data. They also show that statistical average over the conformational states is not equivalent to the thermodynamic property of the averaged conformation. (author). 37 refs, 17 figs

Large area and flexible electronics

CERN Document Server

Caironi, Mario

2015-01-01

From materials to applications, this ready reference covers the entire value chain from fundamentals via processing right up to devices, presenting different approaches to large-area electronics, thus enabling readers to compare materials, properties and performance.Divided into two parts, the first focuses on the materials used for the electronic functionality, covering organic and inorganic semiconductors, including vacuum and solution-processed metal-oxide semiconductors, nanomembranes and nanocrystals, as well as conductors and insulators. The second part reviews the devices and applicatio

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

Science.gov (United States)

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

Conformational flexibility of avidin: the influence of biotin binding

International Nuclear Information System (INIS)

Soledad Celej, M.; Montich, Guillermo G.; Fidelio, Gerardo D.

2004-01-01

Ligand binding to proteins is a key process in cell biochemistry. The interaction usually induces modifications in the unfolding thermodynamic parameters of the macromolecule due to the coupling of unfolding and binding equilibria. In addition, these modifications can be attended by changes in protein structure and/or conformational flexibility induced by ligand binding. In this work, we have explored the effect of biotin binding on conformation and dynamic properties of avidin by using infrared spectroscopy including kinetics of hydrogen/deuterium exchange. Our results, along with previously thermodynamic published data, indicate a clear correlation between thermostability and protein compactness. In addition, our results also help to interpret the thermodynamic binding parameters of the exceptionally stable biotin:AVD complex

Glycine Perturbs Local and Global Conformational Flexibility of a Transmembrane Helix

DEFF Research Database (Denmark)

Högel, Philipp; Götz, Alexander; Kuhne, Felix

2018-01-01

Flexible transmembrane helices frequently support the conformational transitions between different functional states of membrane proteins. While proline is well known to distort and destabilize transmembrane helices, the role of glycine is still debated. Here, we systematically investigated the e...

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

Science.gov (United States)

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 I on /I off ∼ 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.

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

Science.gov (United States)

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

2017-04-25

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.

Large area flexible polymer solar cells with high efficiency enabled by imprinted Ag grid and modified buffer layer

International Nuclear Information System (INIS)

Lu, Shudi; Lin, Jie; Liu, Kong; Yue, Shizhong; Ren, Kuankuan; Tan, Furui; Wang, Zhijie; Jin, Peng; Qu, Shengchun; Wang, Zhanguo

2017-01-01

To take a full advantage of polymer semiconductors on realization of large-area flexible photovoltaic devices, herein, we fabricate polymer solar cells on the basis of polyethylene terephthalate (PET) with imprinted Ag grid as transparent electrode. The key fabrication procedure is the adoption of a modified PEDOT:PSS (PH1000) solution for spin-coating the buffer layer to form a compact contact with the substrate. In comparison with the devices with intrinsic PEDOT:PSS buffer layer, the advanced devices present a much higher efficiency of 6.51%, even in a large device area of 2.25 cm"2. Subsequent characterizations reveal that such devices show an impressive performance stability as the bending angle is enlarged to 180° and bending time is up to 1000 cycles. Not only providing a general methodology to construct high efficient and flexible polymer solar cells, this paper also involves deep insights on device working mechanism in bending conditions.

Flexible and conformable broadband metamaterial absorber with wide-angle and polarization stability for radar application

Science.gov (United States)

Chen, Huijie; Yang, Xiaoqing; Wu, Shiyue; Zhang, Di; Xiao, Hui; Huang, Kama; Zhu, Zhanxia; Yuan, Jianping

2018-01-01

In this work, a type of flexible, broadband electromagnetic microwave absorber is designed, fabricated and experimentally characterized. The absorber is composed of lumped resistors loaded frequency selective surface which is mounted on flexible substrate using silicone rubber and in turn backed by copper film. The simulated results show that an effective absorption (over 90%) bandwidth spans from 7.6 to 18.3 GHz, which covers both X (8-12 GHz) and Ku (12-18 GHz) bands, namely a 82.6% fraction bandwidth. And the bandwidth performs a good absorption response by varying the incident angle up to 60° for both TE and TM polarization. Moreover, the flexibility of the substrate enables the absorber conformably to bend and attach to cylinders of various radius without breakdown of the absorber. The designed structure has been fabricated and measured for both planar and conformable cases, and absorption responses show a good agreement of the broadband absorption feature with the simulated ones. This work has demonstrated specifically that proposed structure provides polarization-insensitive, wide-angle, flexible and conformable wideband absorption, which extends the absorber’s application to practical radar cross section reductions for radars and warships.

Metal oxide semiconductor thin-film transistors for flexible electronics

Energy Technology Data Exchange (ETDEWEB)

Petti, Luisa; Vogt, Christian; Büthe, Lars; Cantarella, Giuseppe; Tröster, Gerhard [Electronics Laboratory, Swiss Federal Institute of Technology, Zürich (Switzerland); Münzenrieder, Niko [Electronics Laboratory, Swiss Federal Institute of Technology, Zürich (Switzerland); Sensor Technology Research Centre, University of Sussex, Falmer (United Kingdom); Faber, Hendrik; Bottacchi, Francesca; Anthopoulos, Thomas D. [Department of Physics and Centre for Plastic Electronics, Imperial College London, London (United Kingdom)

2016-06-15

The field of flexible electronics has rapidly expanded over the last decades, pioneering novel applications, such as wearable and textile integrated devices, seamless and embedded patch-like systems, soft electronic skins, as well as imperceptible and transient implants. The possibility to revolutionize our daily life with such disruptive appliances has fueled the quest for electronic devices which yield good electrical and mechanical performance and are at the same time light-weight, transparent, conformable, stretchable, and even biodegradable. Flexible metal oxide semiconductor thin-film transistors (TFTs) can fulfill all these requirements and are therefore considered the most promising technology for tomorrow's electronics. This review reflects the establishment of flexible metal oxide semiconductor TFTs, from the development of single devices, large-area circuits, up to entirely integrated systems. First, an introduction on metal oxide semiconductor TFTs is given, where the history of the field is revisited, the TFT configurations and operating principles are presented, and the main issues and technological challenges faced in the area are analyzed. Then, the recent advances achieved for flexible n-type metal oxide semiconductor TFTs manufactured by physical vapor deposition methods and solution-processing techniques are summarized. In particular, the ability of flexible metal oxide semiconductor TFTs to combine low temperature fabrication, high carrier mobility, large frequency operation, extreme mechanical bendability, together with transparency, conformability, stretchability, and water dissolubility is shown. Afterward, a detailed analysis of the most promising metal oxide semiconducting materials developed to realize the state-of-the-art flexible p-type TFTs is given. Next, the recent progresses obtained for flexible metal oxide semiconductor-based electronic circuits, realized with both unipolar and complementary technology, are reported. In

Global mapping of DNA conformational flexibility on Saccharomyces cerevisiae.

Directory of Open Access Journals (Sweden)

Giulia Menconi

2015-04-01

Full Text Available 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. (TAn 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 (TAn 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

Global mapping of DNA conformational flexibility on Saccharomyces cerevisiae.

Science.gov (United States)

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

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

Science.gov (United States)

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 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.

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

Science.gov (United States)

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.

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

Directory of Open Access Journals (Sweden)

Junyeob Yeo

Full Text Available 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.

Solution processed large area fabrication of Ag patterns as electrodes for flexible heaters, electrochromics and organic solar cells

DEFF Research Database (Denmark)

Gupta, Ritu; Walia, Sunil; Hösel, Markus

2014-01-01

, the process takes only a few minutes without any expensive instrumentation. The electrodes exhibited excellent adhesion and mechanical properties, important for flexible device application. Using Ag patterned electrodes, heaters operating at low voltages, pixelated electrochromic displays as well as organic...... solar cells have been demonstrated. The method is extendable to produce defect-free patterns over large areas as demonstrated by roll coating....

Conformal Dimensions via Large Charge Expansion.

Science.gov (United States)

Banerjee, Debasish; Chandrasekharan, Shailesh; Orlando, Domenico

2018-02-09

We construct an efficient Monte Carlo algorithm that overcomes the severe signal-to-noise ratio problems and helps us to accurately compute the conformal dimensions of large-Q fields at the Wilson-Fisher fixed point in the O(2) universality class. Using it, we verify a recent proposal that conformal dimensions of strongly coupled conformal field theories with a global U(1) charge can be obtained via a series expansion in the inverse charge 1/Q. We find that the conformal dimensions of the lowest operator with a fixed charge Q are almost entirely determined by the first few terms in the series.

Photovoltaic properties of conjugated polymer/fullerene composites on large area flexible substrates

Directory of Open Access Journals (Sweden)

Desta Gebeyehu

2000-06-01

Full Text Available In this paper we present measurements of the photovoltaic response of bulk donor-acceptor heterojunction between the conjugated polymer, poly(3-octylthiophene, P3OT, (as a donor, D and fullerene (methanofullerene, (as acceptor, A, deposited between indium tin oxide and aluminum electrodes. The innovation involves the substrate, which is a polymer foil instead of glass. These devices are based on ultrafast, reversible, metastable photoinduced electron transfer and charge separation. We also present the efficiency and stability studies on large area (6 cm x 6 cm flexible plastic solar cells with monochromatic energy conversion efficiency (e of about 1.5% and carrier collection efficiency of nearly 20%. Further more, we have investigated the surface network morphology of these films layers by atomic force microscope (AFM. The development of solar cells based on composites of organic conjugated semi-conducting polymers with fullerene derivatives can provide a new method in the exploitation of solar energy.

Covalent dye attachment influences the dynamics and conformational properties of flexible peptides.

Directory of Open Access Journals (Sweden)

Manuel P Luitz

Full Text Available Fluorescence spectroscopy techniques like Förster resonance energy transfer (FRET and fluorescence correlation spectroscopy (FCS have become important tools for the in vitro and in vivo investigation of conformational dynamics in biomolecules. These methods rely on the distance-dependent quenching of the fluorescence signal of a donor fluorophore either by a fluorescent acceptor fluorophore (FRET or a non-fluorescent quencher, as used in FCS with photoinduced electron transfer (PET. The attachment of fluorophores to the molecule of interest can potentially alter the molecular properties and may affect the relevant conformational states and dynamics especially of flexible biomolecules like intrinsically disordered proteins (IDP. Using the intrinsically disordered S-peptide as a model system, we investigate the impact of terminal fluorescence labeling on the molecular properties. We perform extensive molecular dynamics simulations on the labeled and unlabeled peptide and compare the results with in vitro PET-FCS measurements. Experimental and simulated timescales of end-to-end fluctuations were found in excellent agreement. Comparison between simulations with and without labels reveal that the π-stacking interaction between the fluorophore labels traps the conformation of S-peptide in a single dominant state, while the unlabeled peptide undergoes continuous conformational rearrangements. Furthermore, we find that the open to closed transition rate of S-peptide is decreased by at least one order of magnitude by the fluorophore attachment. Our approach combining experimental and in silico methods provides a benchmark for the simulations and reveals the significant effect that fluorescence labeling can have on the conformational dynamics of small biomolecules, at least for inherently flexible short peptides. The presented protocol is not only useful for comparing PET-FCS experiments with simulation results but provides a strategy to minimize the

Probing flexible conformations in molecular junctions by inelastic electron tunneling spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Deng, Mingsen [Department of Physics, Guizhou University, Guiyang, 550025 (China); Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, 550018 (China); Ye, Gui; Jiang, Jun, E-mail: jiangj1@ustc.edu.cn [Department of Chemical Physics, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, 230026 (China); Cai, Shaohong, E-mail: caish@mail.gufe.edu.cn [Department of Physics, Guizhou University, Guiyang, 550025 (China); Guizhou Key Laboratory of Economic System Simulation, Guizhou University of Finance and Economics, Guiyang, 550004 (China); Sun, Guangyu [Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, 550018 (China)

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.

Semiconductor-based, large-area, flexible, electronic devices on {110} oriented substrates

Science.gov (United States)

Goyal, Amit

2014-08-05

Novel articles and methods to fabricate the same resulting in flexible, oriented, semiconductor-based, electronic devices on {110} 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.

49 CFR 178.940 - Standards for flexible Large Packagings.

Science.gov (United States)

2010-10-01

.... Flexible Large Packagings types are designated: (1) 51H flexible plastics. (2) 51M flexible paper. (b... this subchapter, flexible Large Packaging must be resistant to aging and degradation caused by ultraviolet radiation. (5) For plastic flexible Large Packagings, if necessary, protection against ultraviolet...

Room-Temperature and Solution-Processable Cu-Doped Nickel Oxide Nanoparticles for Efficient Hole-Transport Layers of Flexible Large-Area Perovskite Solar Cells.

Science.gov (United States)

He, Qiqi; Yao, Kai; Wang, Xiaofeng; Xia, Xuefeng; Leng, Shifeng; Li, Fan

2017-12-06

Flexible perovskite solar cells (PSCs) using plastic substrates have become one of the most attractive points in the field of thin-film solar cells. Low-temperature and solution-processable nanoparticles (NPs) enable the fabrication of semiconductor thin films in a simple and low-cost approach to function as charge-selective layers in flexible PSCs. Here, we synthesized phase-pure p-type Cu-doped NiO x NPs with good electrical properties, which can be processed to smooth, pinhole-free, and efficient hole transport layers (HTLs) with large-area uniformity over a wide range of film thickness using a room-temperature solution-processing technique. Such a high-quality inorganic HTL allows for the fabrication of flexible PSCs with an active area >1 cm 2 , which have a power conversion efficiency over 15.01% without hysteresis. Moreover, the Cu/NiO x NP-based flexible devices also demonstrate excellent air stability and mechanical stability compared to their counterpart fabricated on the pristine NiO x films. This work will contribute to the evolution of upscaling flexible PSCs with a simple fabrication process and high device performances.

ZnO HEMTs on Flexible Substrates for Large Area Monolithic Antenna Applications, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — AMBP Tech will implement Zinc Oxide high mobility material technology it has developed specifically for flexible electronics into a direct write process onto large...

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

Science.gov (United States)

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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

International Nuclear Information System (INIS)

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

2013-01-01

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. (paper)

Fabrication of large area flexible nanoplasmonic templates with flow coating

Science.gov (United States)

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.

Conformation of flexibly linked triterpene dimers by using RDC-enhanced NMR spectroscopy

Science.gov (United States)

Lakshmi, Jerripothula K.; Pattnaik, Banita; Kavitha, Rachineni; Mallavadhani, Uppuluri V.; Jagadeesh, Bharatam

2018-06-01

Dimers of flexibly linked pentacyclic triterpene ursolic acid (UA) and its related frameworks such as asiatic acid (AA) and oleanolic acid (OA) have recently attracted significant attention due to their enhanced anti-cancer and anti-HCV activity compared to their respective monomers. Determination of conformation/inter-monomer orientation of these molecules is very important to understand their structure-activity relationship and to develop new scaffolds, which, however, is difficult through conventional NOE based solution-state NMR spectroscopy, due to lack of long-range NOEs. In the present work, we report a precise determination of conformation of two 1,2,3-triazole-linked triterpene dimer molecules, UA-AA and UA-OA, by employing one-bond Csbnd H residual dipolar couplings (RDCs) as additional long-range orientational restraints, measured in anisotropic PDMS/CDCl3 solvent medium.

Progress on conformal microwave array applicators for heating chestwall disease

Science.gov (United States)

Stauffer, P. R.; Maccarini, P. F.; Juang, T.; Jacobsen, S. K.; Gaeta, C. J.; Schlorff, J. L.; Milligan, A. J.

2007-02-01

Previous studies have reported the computer modeling, CAD design, and theoretical performance of single and multiple antenna arrays of Dual Concentric Conductor (DCC) square slot radiators driven at 915 and 433 MHz. Subsequently, practical CAD designs of microstrip antenna arrays constructed on thin and flexible printed circuit board (PCB) material were reported which evolved into large Conformal Microwave Array (CMA) sheets that could wrap around the surface of the human torso for delivering microwave energy to large areas of superficial tissue. Although uniform and adjustable radiation patterns have been demonstrated from multiple element applicators radiating into simple homogeneous phantom loads, the contoured and heterogeneous tissue loads typical of chestwall recurrent breast cancer have required additional design efforts to achieve good coupling and efficient heating from the increasingly larger conformal array applicators used to treat large area contoured patient anatomy. Thus recent work has extended the theoretical optimization of DCC antennas to improve radiation efficiency of each individual aperture and reduce mismatch reflections, radiation losses, noise, and cross coupling of the feedline distribution network of large array configurations. Design improvements have also been incorporated into the supporting bolus structure to maintain effective coupling of DCC antennas into contoured anatomy and to monitor and control surface temperatures under the entire array. New approaches for non-invasive monitoring of surface and sub-surface tissue temperatures under each independent heat source are described that make use of microwave radiometry and flexible sheet grid arrays of thermal sensors. Efforts to optimize the clinical patient interface and move from planar rectangular shapes to contoured vest applicators that accommodate entire disease in a larger number of patients are summarized. By applying heat more uniformly to large areas of contoured anatomy

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

International Nuclear Information System (INIS)

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

2016-01-01

Highlights: • Laser Direct Writing of metallic patterns with a minimum feature size of 1 μm. • Selective Laser Ablation of 50 nm thick metal films on flexible substrates. • Selective Laser sintering resulting in an electrical resistivity of 9 μΩ cm. • Laser fabrication of interdigitated electrodes for sensor applications. - Abstract: 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 cm"2. 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

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

Energy Technology Data Exchange (ETDEWEB)

Zacharatos, F.; Makrygianni, M. [National Technical University of Athens, Physics Department, Zografou Campus, 15780 (Greece); Geremia, R.; Biver, E.; Karnakis, D. [Oxford Lasers Ltd, Unit 8 Moorbrook Park, Oxfordshire OX11 7HP (United Kingdom); Leyder, S.; Puerto, D.; Delaporte, P. [Aix-Marseille University, CNRS, LP3 – UMR 7341, 13288 Marseille Cedex 9 (France); Zergioti, I., E-mail: zergioti@central.ntua.gr [National Technical University of Athens, Physics Department, Zografou Campus, 15780 (Greece)

2016-06-30

Highlights: • Laser Direct Writing of metallic patterns with a minimum feature size of 1 μm. • Selective Laser Ablation of 50 nm thick metal films on flexible substrates. • Selective Laser sintering resulting in an electrical resistivity of 9 μΩ cm. • Laser fabrication of interdigitated electrodes for sensor applications. - Abstract: 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 cm{sup 2}. 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

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

Science.gov (United States)

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. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups.

Science.gov (United States)

Bochevarov, Art D; Watson, Mark A; Greenwood, Jeremy R; Philipp, Dean M

2016-12-13

We consider the conformational flexibility of molecules and its implications for micro- and macro-pK a . The corresponding formulas are derived and discussed against the background of a comprehensive scientific and algorithmic description of the latest version of our computer program Jaguar pK a , a density functional theory-based pK a predictor, which is now capable of acting on multiple conformations explicitly. Jaguar pK a is essentially a complex computational workflow incorporating research and technologies from the fields of cheminformatics, molecular mechanics, quantum mechanics, and implicit solvation models. The workflow also makes use of automatically applied empirical corrections which account for the systematic errors resulting from the neglect of explicit solvent interactions in the algorithm's implicit solvent model. Applications of our program to large, flexible organic molecules representing several classes of functional groups are shown, with a particular emphasis in illustrations laid on drug-like molecules. It is demonstrated that a combination of aggressive conformational search and an explicit consideration of multiple conformations nearly eliminates the dependence of results on the initially chosen conformation. In certain cases this leads to unprecedented accuracy, which is sufficient for distinguishing stereoisomers that have slightly different pK a values. An application of Jaguar pK a to proton sponges, the pK a of which are strongly influenced by steric effects, showcases the advantages that pK a predictors based on quantum mechanical calculations have over similar empirical programs.

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

International Nuclear Information System (INIS)

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

2015-01-01

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_2ndc) or 4,4′-(hydroxymethylene)dibenzoic acid (H_2hmdb), in the presence of cadmium(II) salts have given rise to two novel metal-organic frameworks based on flexible ligands (FL-MOFs), namely, [Cd_2(2,6-ndc)_2(bpp)(DMF)]·2DMF (1) and [Cd_3(hmdb)_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.

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

Energy Technology Data Exchange (ETDEWEB)

Hua, Xiu-Ni; Qin, Lan; Yan, Xiao-Zhi; Yu, Lei; Xie, Yi-Xin; Han, Lei, E-mail: hanlei@nbu.edu.cn

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.

THz time domain spectroscopy of biomolecular conformational modes

International Nuclear Information System (INIS)

Markelz, Andrea; Whitmire, Scott; Hillebrecht, Jay; Birge, Robert

2002-01-01

We discuss the use of terahertz time domain spectroscopy for studies of conformational flexibility and conformational change in biomolecules. Protein structural dynamics are vital to biological function with protein flexibility affecting enzymatic reaction rates and sensory transduction cycling times. Conformational mode dynamics occur on the picosecond timescale and with the collective vibrational modes associated with these large scale structural motions in the 1-100 cm -1 range. We have performed THz time domain spectroscopy (TTDS) of several biomolecular systems to explore the sensitivity of TTDS to distinguish different molecular species, different mutations within a single species and different conformations of a given biomolecule. We compare the measured absorbances to normal mode calculations and find that the TTDS absorbance reflects the density of normal modes determined by molecular mechanics calculations, and is sensitive to both conformation and mutation. These early studies demonstrate some of the advantages and limitations of using TTDS for the study of biomolecules

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

Science.gov (United States)

Goyal, Amit [Knoxville, TN

2012-05-15

Novel articles and methods to fabricate the same resulting in flexible, {100} or 45.degree.-rotated {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.

Flexible CIGS solar cells on large area polymer foils with in-line deposition methods and application of alternative back contacts - Final report

Energy Technology Data Exchange (ETDEWEB)

Tiwari, A. N.

2009-08-15

This illustrated report for the Swiss Federal Office of Energy (SFOE) summarises the work performed within this project and also reports on synergies with other projects that helped to make a significant contribution to the development of CIGS thin film solar cells on flexible substrates such as polymer foils. The project's aims were to learn more about up-scaling issues and to demonstrate the abilities required for the processing of layers on large area polyimide foils for flexible CIGS solar cells. Custom-built evaporators that were designed and constructed in-house are described. A CIGS system for in-line deposition was also modified for roll-to-roll deposition and alternative electrical back contacts to conventional ones were evaluated on flexible polyimide foils. The objectives of the project and the results obtained are looked at and commented on in detail.

A poly(dimethylsiloxane)-coated flexible mold for nanoimprint lithography

International Nuclear Information System (INIS)

Lee, Nae Yoon; Kim, Youn Sang

2007-01-01

In this paper, we introduce an anti-adhesion poly(dimethylsiloxane) (PDMS)-coated flexible mold and its applications for room-temperature imprint lithography. The flexible mold is fabricated using an ultraviolet-curable prepolymer on a flexible substrate, and its surface is passivated with a thin layer of PDMS to impart an anti-adhesion property. The highly flexible mold enables conformal contact with a substrate on which a low-viscosity polymer resist is spin-cast in a thin layer. Large-area imprinting is then realized at room temperature under significantly reduced pressure. The mold was durable even after repetitive imprinting of over 200 times. Also, we show a double imprinting on the substrate with a PDMS-coated replica polymeric mold having 500 nm line patterns. This enables the formation of matrix patterns with varying feature heights in less than 7 min

Enabling Technologies for Fabrication of Large Area Flexible Antennas, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — Flexible, foldable, and/or inflatable antenna systems open up a wealth of opportunities. Integrating antenna elements and related electronics onto flexible...

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

Science.gov (United States)

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.

Deployable and Conformal Planar Micro-Devices: Design and Model Validation

Directory of Open Access Journals (Sweden)

Jinda Zhuang

2014-08-01

Full Text Available We report a design concept for a deployable planar microdevice and the modeling and experimental validation of its mechanical behavior. The device consists of foldable membranes that are suspended between flexible stems and actuated by push-pull wires. Such a deployable device can be introduced into a region of interest in its compact “collapsed” state and then deployed to conformally cover a large two-dimensional surface area for minimally invasive biomedical operations and other engineering applications. We develop and experimentally validate theoretical models based on the energy minimization approach to examine the conformality and figures of merit of the device. The experimental results obtained using model contact surfaces agree well with the prediction and quantitatively highlight the importance of the membrane bending modulus in controlling surface conformality. The present study establishes an early foundation for the mechanical design of this and related deployable planar microdevice concepts.

Conformational Flexibility Determines Selectivity and Antibacterial, Antiplasmodial, and Anticancer Potency of Cationic α-Helical Peptides*

OpenAIRE

Vermeer, Louic S.; Lan, Yun; Abbate, Vincenzo; Ruh, Emrah; Bui, Tam T.; Wilkinson, Louise J.; Kanno, Tokuwa; Jumagulova, Elmira; Kozlowska, Justyna; Patel, Jayneil; McIntyre, Caitlin A.; Yam, W. C.; Siu, Gilman; Atkinson, R. Andrew; Lam, Jenny K. W.

2012-01-01

Background: Antimicrobial peptides (AMPs) have the potential to act against multiple pathogenic targets. Results: AMPs that maintain conformational flexibility are more potent against multiple pathogens and less hemolytic. Conclusion: Antimicrobial action and hemolysis proceed via differing mechanisms. Significance: The potency, selectivity, and ability of AMPs to reach intracellular pathogens can be modulated using general principles.

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

Science.gov (United States)

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

Coordinating Flexibility under Uncertainty in Multi-Area AC and DC Grids

DEFF Research Database (Denmark)

Halilbasic, Lejla; Chatzivasileiadis, Spyros; Pinson, Pierre

2017-01-01

In the future, mixed AC and DC grids, spanning multiple areas operated by different transmission system operators (TSO), are expected to offer the necessary controllability for integrating large amounts of intermittent renewable generation. This is facilitated by high voltage direct current...... transmission based on voltage source converter technology that can offer recourse actions in the form of preventive and corrective control of both active and reactive power. Market-clearing procedures, based on optimal power flow algorithms, need to be revised to account for DC transmission, flexibility...... and privacy requirements. To this end, we propose a decentralized two-stage stochastic market-clearing algorithm that incorporates meshed DC grids and allows the sharing of flexibility resources between areas. The benefit of this approach lies in its pricing mechanism, used for coordinating the different area...

Large-area WSe2 electric double layer transistors on a plastic substrate

KAUST Repository

Funahashi, Kazuma; Pu, Jiang; Li, Ming Yang; Li, Lain-Jong; Iwasa, Yoshihiro; Takenobu, Taishi

2015-01-01

Due to the requirements for large-area, uniform films, currently transition metal dichalcogenides (TMDC) cannot be used in flexible transistor industrial applications. In this study, we first transferred chemically grown large-area WSe2 monolayer films from the as-grown sapphire substrates to the flexible plastic substrates. We also fabricated electric double layer transistors using the WSe2 films on the plastic substrates. These transistors exhibited ambipolar operation and an ON/OFF current ratio of ∼104, demonstrating chemically grown WSe2 transistors on plastic substrates for the first time. This achievement can be an important first step for the next-generation TMDC based flexible devices. © 2015 The Japan Society of Applied Physics.

Large-area WSe2 electric double layer transistors on a plastic substrate

KAUST Repository

Funahashi, Kazuma

2015-04-27

Due to the requirements for large-area, uniform films, currently transition metal dichalcogenides (TMDC) cannot be used in flexible transistor industrial applications. In this study, we first transferred chemically grown large-area WSe2 monolayer films from the as-grown sapphire substrates to the flexible plastic substrates. We also fabricated electric double layer transistors using the WSe2 films on the plastic substrates. These transistors exhibited ambipolar operation and an ON/OFF current ratio of ∼104, demonstrating chemically grown WSe2 transistors on plastic substrates for the first time. This achievement can be an important first step for the next-generation TMDC based flexible devices. © 2015 The Japan Society of Applied Physics.

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

International Nuclear Information System (INIS)

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

2014-01-01

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 + 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 + 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

Large-area perovskite nanowire arrays fabricated by large-scale roll-to-roll micro-gravure printing and doctor blading

Science.gov (United States)

Hu, Qiao; Wu, Han; Sun, Jia; Yan, Donghang; Gao, Yongli; Yang, Junliang

2016-02-01

Organic-inorganic hybrid halide perovskite nanowires (PNWs) show great potential applications in electronic and optoelectronic devices such as solar cells, field-effect transistors and photodetectors. It is very meaningful to fabricate ordered, large-area PNW arrays and greatly accelerate their applications and commercialization in electronic and optoelectronic devices. Herein, highly oriented and ultra-long methylammonium lead iodide (CH3NH3PbI3) PNW array thin films were fabricated by large-scale roll-to-roll (R2R) micro-gravure printing and doctor blading in ambient environments (humility ~45%, temperature ~28 °C), which produced PNW lengths as long as 15 mm. Furthermore, photodetectors based on these PNWs were successfully fabricated on both silicon oxide (SiO2) and flexible polyethylene terephthalate (PET) substrates and showed moderate performance. This study provides low-cost, large-scale techniques to fabricate large-area PNW arrays with great potential applications in flexible electronic and optoelectronic devices.Organic-inorganic hybrid halide perovskite nanowires (PNWs) show great potential applications in electronic and optoelectronic devices such as solar cells, field-effect transistors and photodetectors. It is very meaningful to fabricate ordered, large-area PNW arrays and greatly accelerate their applications and commercialization in electronic and optoelectronic devices. Herein, highly oriented and ultra-long methylammonium lead iodide (CH3NH3PbI3) PNW array thin films were fabricated by large-scale roll-to-roll (R2R) micro-gravure printing and doctor blading in ambient environments (humility ~45%, temperature ~28 °C), which produced PNW lengths as long as 15 mm. Furthermore, photodetectors based on these PNWs were successfully fabricated on both silicon oxide (SiO2) and flexible polyethylene terephthalate (PET) substrates and showed moderate performance. This study provides low-cost, large-scale techniques to fabricate large-area PNW arrays

Methods for fabrication of flexible hybrid electronics

Science.gov (United States)

Street, Robert A.; Mei, Ping; Krusor, Brent; Ready, Steve E.; Zhang, Yong; Schwartz, David E.; Pierre, Adrien; Doris, Sean E.; Russo, Beverly; Kor, Siv; Veres, Janos

2017-08-01

Printed and flexible hybrid electronics is an emerging technology with potential applications in smart labels, wearable electronics, soft robotics, and prosthetics. Printed solution-based materials are compatible with plastic film substrates that are flexible, soft, and stretchable, thus enabling conformal integration with non-planar objects. In addition, manufacturing by printing is scalable to large areas and is amenable to low-cost sheet-fed and roll-to-roll processes. FHE includes display and sensory components to interface with users and environments. On the system level, devices also require electronic circuits for power, memory, signal conditioning, and communications. Those electronic components can be integrated onto a flexible substrate by either assembly or printing. PARC has developed systems and processes for realizing both approaches. This talk presents fabrication methods with an emphasis on techniques recently developed for the assembly of off-the-shelf chips. A few examples of systems fabricated with this approach are also described.

The Large-scale Effect of Environment on Galactic Conformity

Science.gov (United States)

Sun, Shuangpeng; Guo, Qi; Wang, Lan; Wang, Jie; Gao, Liang; Lacey, Cedric G.; Pan, Jun

2018-04-01

We use a volume-limited galaxy sample from the SDSS Data Release 7 to explore the dependence of galactic conformity on the large-scale environment, measured on ˜ 4 Mpc scales. We find that the star formation activity of neighbour galaxies depends more strongly on the environment than on the activity of their primary galaxies. In under-dense regions most neighbour galaxies tend to be active, while in over-dense regions neighbour galaxies are mostly passive, regardless of the activity of their primary galaxies. At a given stellar mass, passive primary galaxies reside in higher density regions than active primary galaxies, leading to the apparently strong conformity signal. The dependence of the activity of neighbour galaxies on environment can be explained by the corresponding dependence of the fraction of satellite galaxies. Similar results are found for galaxies in a semi-analytical model, suggesting that no new physics is required to explain the observed large-scale conformity.

Silver nanowire/polymer composite soft conductive film fabricated by large-area compatible coating for flexible pressure sensor array

Science.gov (United States)

Chen, Sujie; Li, Siying; Peng, Sai; Huang, Yukun; Zhao, Jiaqing; Tang, Wei; Guo, Xiaojun

2018-01-01

Soft conductive films composed of a silver nanowire (AgNW) network, a neutral-pH PEDOT:PSS over-coating layer and a polydimethylsiloxane (PDMS) elastomer substrate are fabricated by large area compatible coating processes. The neutral-pH PEDOT:PSS layer is shown to be able to significantly improve the conductivity, stretchability and air stability of the conductive films. The soft conductive films are patterned using a simple maskless patterning approach to fabricate an 8 × 8 flexible pressure sensor array. It is shown that such soft conductive films can help to improve the sensitivity and reduce the signal crosstalk over the pressure sensor array. Project supported by the Science and Technology Commission of Shanghai Municipality (No. 16JC1400603).

Clean-lifting transfer of large-area residual-free graphene films.

Science.gov (United States)

Wang, Di-Yan; Huang, I-Sheng; Ho, Po-Hsun; Li, Shao-Sian; Yeh, Yun-Chieh; Wang, Duan-Wei; Chen, Wei-Liang; Lee, Yu-Yang; Chang, Yu-Ming; Chen, Chia-Chun; Liang, Chi-Te; Chen, Chun-Wei

2013-08-27

A unique "clean-lifting transfer" (CLT) technique that applies a controllable electrostatic force to transfer large-area and high-quality CVD-grown graphene onto various rigid or flexible substrates is reported. The CLT technique without using any organic support or adhesives can produce residual-free graphene films with large-area processability, and has great potential for future industrial production of graphene-based electronics or optoelectronics. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Science.gov (United States)

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.

Measuring the mechanical properties of molecular conformers

Science.gov (United States)

Jarvis, S. P.; Taylor, S.; Baran, J. D.; Champness, N. R.; Larsson, J. A.; Moriarty, P.

2015-09-01

Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force required to push or pull a single molecule has not been explored. Here we probe the mechanochemical response of two tetra(4-bromophenyl)porphyrin conformers using non-contact atomic force microscopy where we find a large difference between the lateral forces required for manipulation. Remarkably, despite sharing very similar adsorption characteristics, variations in the potential energy surface are capable of prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation of the alternative conformational form. Our results are interpreted in the context of dispersion-corrected density functional theory calculations which reveal significant differences in the diffusion barriers for each conformer. These results demonstrate that conformational variation significantly modifies the mechanical response of even simple porpyhrins, potentially affecting many other flexible molecules.

Predicting sumoylation sites using support vector machines based on various sequence features, conformational flexibility and disorder.

Science.gov (United States)

Yavuz, Ahmet Sinan; Sezerman, Osman Ugur

2014-01-01

Sumoylation, which is a reversible and dynamic post-translational modification, is one of the vital processes in a cell. Before a protein matures to perform its function, sumoylation may alter its localization, interactions, and possibly structural conformation. Abberations in protein sumoylation has been linked with a variety of disorders and developmental anomalies. Experimental approaches to identification of sumoylation sites may not be effective due to the dynamic nature of sumoylation, laborsome experiments and their cost. Therefore, computational approaches may guide experimental identification of sumoylation sites and provide insights for further understanding sumoylation mechanism. In this paper, the effectiveness of using various sequence properties in predicting sumoylation sites was investigated with statistical analyses and machine learning approach employing support vector machines. These sequence properties were derived from windows of size 7 including position-specific amino acid composition, hydrophobicity, estimated sub-window volumes, predicted disorder, and conformational flexibility. 5-fold cross-validation results on experimentally identified sumoylation sites revealed that our method successfully predicts sumoylation sites with a Matthew's correlation coefficient, sensitivity, specificity, and accuracy equal to 0.66, 73%, 98%, and 97%, respectively. Additionally, we have showed that our method compares favorably to the existing prediction methods and basic regular expressions scanner. By using support vector machines, a new, robust method for sumoylation site prediction was introduced. Besides, the possible effects of predicted conformational flexibility and disorder on sumoylation site recognition were explored computationally for the first time to our knowledge as an additional parameter that could aid in sumoylation site prediction.

Conformational flexibility of BECN1: Essential to its key role in autophagy and beyond: BECN1 Structure and Mechanism

Energy Technology Data Exchange (ETDEWEB)

Mei, Yang [Department of Chemistry and Biochemistry, North Dakota State University, Fargo North Dakota 58108-6050; Glover, Karen [Department of Chemistry and Biochemistry, North Dakota State University, Fargo North Dakota 58108-6050; Su, Minfei [Department of Chemistry and Biochemistry, North Dakota State University, Fargo North Dakota 58108-6050; Sinha, Sangita C. [Department of Chemistry and Biochemistry, North Dakota State University, Fargo North Dakota 58108-6050

2016-08-13

BECN1 (Beclin 1), a highly conserved eukaryotic protein, is a key regulator of autophagy, a cellular homeostasis pathway, and also participates in vacuolar protein sorting, endocytic trafficking, and apoptosis. BECN1 is important for embryonic development, the innate immune response, tumor suppression, and protection against neurodegenerative disorders, diabetes, and heart disease. BECN1 mediates autophagy as a core component of the class III phosphatidylinositol 3-kinase complexes. However, the exact mechanism by which it regulates the activity of these complexes, or mediates its other diverse functions is unclear. BECN1 interacts with several diverse protein partners, perhaps serving as a scaffold or interaction hub for autophagy. Based on extensive structural, biophysical and bioinformatics analyses, BECN1 consists of an intrinsically disordered region (IDR), which includes a BH3 homology domain (BH3D); a flexible helical domain (FHD); a coiled-coil domain (CCD); and a β-α-repeated autophagy-specific domain (BARAD). Each of these BECN1 domains mediates multiple diverse interactions that involve concomitant conformational changes. Thus, BECN1 conformational flexibility likely plays a key role in facilitating diverse protein interactions. Further, BECN1 conformation and interactions are also modulated by numerous post-translational modifications. A better structure-based understanding of the interplay between different BECN1 conformational and binding states, and the impact of post-translational modifications will be essential to elucidating the mechanism of its multiple biological roles.

Evidence for conformational flexibility in the Tat-TAR recognition motif of cyclin T1

International Nuclear Information System (INIS)

Das, Chandreyee; Edgcomb, Stephen P.; Peteranderl, Ralph; Chen, Lily; Frankel, Alan D.

2004-01-01

Cyclin T1 (CycT1) is a cellular transcription elongation factor that also participates in Tat-mediated activation of several lentiviral promoters. In human immunodeficiency virus (HIV), CycT1 is required for Tat to bind tightly to TAR and interacts in the ternary complex via its Tat-TAR recognition motif (TRM). In the related bovine immunodeficiency virus (BIV), Tat recognizes its cognate TAR element with high affinity and specificity in the absence of CycT1. At both promoters, CycT1 recruits the Cdk9 kinase, which phosphorylates RNA polymerase II to generate processive transcription complexes. To examine the physical properties of CycT1, we purified a functional domain corresponding to residues 1-272 and found that it possesses a stably folded core, as judged by partial proteolysis and circular dichroism experiments. Interestingly, the C-terminal 20 residues corresponding to the TRM appear conformationally flexible or disordered. The TRM of the bovine CycT1 (bCycT1) is similarly sensitive to proteolysis yet differs in sequence from the human protein. In particular, bCycT1 lacks a cysteine at residue 261 known to be critical for HIV but not BIV ternary complex formation, and mutagenesis data are consistent with a proposed role for this cysteine in metal binding. The apparent flexibility of the TRM suggests that conformational rearrangements may accompany formation of CycT1-Tat-TAR ternary complexes and may contribute to different TAR recognition strategies in different lentiviruses

Optical response of large-area aluminum-coated nano-bucket arrays on flexible PET substrates

Science.gov (United States)

Hohertz, Donna; Chuo, Yindar; Omrane, Badr; Landrock, Clint; Kavanagh, Karen L.

2014-09-01

The high-cost of fabrication of nanohole arrays for extraordinary optical transmission, surface-plasmon-resonance-based sensors, inhibits their widespread commercial adoption. Production typically involves the application of small-area patterning techniques, such as focused-ion-beam milling, and electron-beam lithography onto high-cost gold-coated substrates. Moving to lower-cost manufacturing is a critical step for applications such as the detection of environmental oil-leaks, or water quality assurance. In these applications, the sensitivity requirements are relatively low, and a bio-compatible inert surface, such as gold, is unnecessary. We report on the optical response of aluminum-coated nano-bucket arrays fabricated on flexible polyethylene terephthalate substrates. The arrays are fabricated using an economical roll-to-roll UV-casting process from large sheets of nickel templates generated from master quartz stamps. The nano-featured surface is subsequently coated with 50 nm of thermally-evaporated aluminum. The roll-to-roll production process has a 97% yield over a 600 m roll producing nano-buckets with 240 nm diameters, 300 nm deep, with a 70° taper. When exposed to a series of refractive index standards (glucose solutions), changes in the locations of the resonance transmission peaks result in optical sensitivities as high as 390 ± 20 nm/RIU. The peak transmission is approximately 5% of illumination, well within the sensitivity requirements of most common low-cost detectors.

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

Science.gov (United States)

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

A novel large thrust-weight ratio V-shaped linear ultrasonic motor with a flexible joint.

Science.gov (United States)

Li, Xiaoniu; Yao, Zhiyuan; Yang, Mojian

2017-06-01

A novel large thrust-weight ratio V-shaped linear ultrasonic motor with a flexible joint is proposed in this paper. The motor is comprised of a V-shaped transducer, a slider, a clamp, and a base. The V-shaped transducer consists of two piezoelectric beams connected through a flexible joint to form an appropriate coupling angle. The V-shaped motor is operated in the coupled longitudinal-bending mode. Longitudinal and bending movements are transferred by the flexible joint between the two beams. Compared with the coupled longitudinal-bending mode of the single piezoelectric beam or the symmetrical and asymmetrical modes of the previous V-shaped transducer, the coupled longitudinal-bending mode of the V-shaped transducer with a flexible joint provides higher vibration efficiency and more convenient mode conformance adjustment. A finite element model of the V-shaped transducer is created to numerically study the influence of geometrical parameters and to determine the final geometrical parameters. In this paper, three prototypes were then fabricated and experimentally investigated. The modal test results match well with the finite element analysis. The motor mechanical output characteristics of three different coupling angles θ indicate that V-90 (θ = 90°) is the optimal angle. The mechanical output experiments conducted using the V-90 prototype (Size: 59.4 mm × 30.7 mm × 4 mm) demonstrate that the maximum unloaded speed is 1.2 m/s under a voltage of 350 Vpp, and the maximum output force is 15 N under a voltage of 300 Vpp. The proposed novel V-shaped linear ultrasonic motor has a compact size and a simple structure with a large thrust-weight ratio (0.75 N/g) and high speed.

Conformational Flexibility of Proteins Involved in Ribosome Biogenesis: Investigations via Small Angle X-ray Scattering (SAXS

Directory of Open Access Journals (Sweden)

Dritan Siliqi

2018-02-01

Full Text Available The dynamism of proteins is central to their function, and several proteins have been described as flexible, as consisting of multiple domains joined by flexible linkers, and even as intrinsically disordered. Several techniques exist to study protein structures, but small angle X-ray scattering (SAXS has proven to be particularly powerful for the quantitative analysis of such flexible systems. In the present report, we have used SAXS in combination with X-ray crystallography to highlight their usefulness at characterizing flexible proteins, using as examples two proteins involved in different steps of ribosome biogenesis. The yeast BRCA2 and CDKN1A-interactig protein, Bcp1, is a chaperone for Rpl23 of unknown structure. We showed that it consists of a rigid, slightly elongated protein, with a secondary structure comprising a mixture of alpha helices and beta sheets. As an example of a flexible molecule, we studied the SBDS (Shwachman-Bodian-Diamond Syndrome protein that is involved in the cytoplasmic maturation of the 60S subunit and constitutes the mutated target in the Shwachman-Diamond Syndrome. In solution, this protein coexists in an ensemble of three main conformations, with the N- and C-terminal ends adopting different orientations with respect to the central domain. The structure observed in the protein crystal corresponds to an average of those predicted by the SAXS flexibility analysis.

A unified conformational selection and induced fit approach to protein-peptide docking.

Directory of Open Access Journals (Sweden)

Mikael Trellet

Full Text Available Protein-peptide interactions are vital for the cell. They mediate, inhibit or serve as structural components in nearly 40% of all macromolecular interactions, and are often associated with diseases, making them interesting leads for protein drug design. In recent years, large-scale technologies have enabled exhaustive studies on the peptide recognition preferences for a number of peptide-binding domain families. Yet, the paucity of data regarding their molecular binding mechanisms together with their inherent flexibility makes the structural prediction of protein-peptide interactions very challenging. This leaves flexible docking as one of the few amenable computational techniques to model these complexes. We present here an ensemble, flexible protein-peptide docking protocol that combines conformational selection and induced fit mechanisms. Starting from an ensemble of three peptide conformations (extended, a-helix, polyproline-II, flexible docking with HADDOCK generates 79.4% of high quality models for bound/unbound and 69.4% for unbound/unbound docking when tested against the largest protein-peptide complexes benchmark dataset available to date. Conformational selection at the rigid-body docking stage successfully recovers the most relevant conformation for a given protein-peptide complex and the subsequent flexible refinement further improves the interface by up to 4.5 Å interface RMSD. Cluster-based scoring of the models results in a selection of near-native solutions in the top three for ∼75% of the successfully predicted cases. This unified conformational selection and induced fit approach to protein-peptide docking should open the route to the modeling of challenging systems such as disorder-order transitions taking place upon binding, significantly expanding the applicability limit of biomolecular interaction modeling by docking.

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

Science.gov (United States)

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.

Highly Integrated, Reconfigurable, Large-Area, Flexible Radar Antenna Arrays, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Highly-integrated, reconfigurable radar antenna arrays fabricated on flexible substrates offer high functionality in a portable package that can be rolled up and...

320-nm Flexible Solution-Processed 2,7-dioctyl[1] benzothieno[3,2-b]benzothiophene Transistors.

Science.gov (United States)

Ren, Hang; Tang, Qingxin; Tong, Yanhong; Liu, Yichun

2017-08-09

Flexible organic thin-film transistors (OTFTs) have received extensive attention due to their outstanding advantages such as light weight, low cost, flexibility, large-area fabrication, and compatibility with solution-processed techniques. However, compared with a rigid substrate, it still remains a challenge to obtain good device performance by directly depositing solution-processed organic semiconductors onto an ultrathin plastic substrate. In this work, ultrathin flexible OTFTs are successfully fabricated based on spin-coated 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) films. The resulting device thickness is only ~320 nm, so the device has the ability to adhere well to a three-dimension curved surface. The ultrathin C8-BTBT OTFTs exhibit a mobility as high as 4.36 cm² V -1 s -1 and an on/off current ratio of over 10⁶. These results indicate the substantial promise of our ultrathin flexible C8-BTBT OTFTs for next-generation flexible and conformal electronic devices.

A complete process for production of flexible large area polymer solar cells entirely using screen printing-First public demonstration

DEFF Research Database (Denmark)

Krebs, Frederik C; Jørgensen, Mikkel; Norrman, Kion

2009-01-01

, complete processing in air using commonly available screen printing, and finally, simple mechanical encapsulation using a flexible packaging material and electrical contacting post-production using crimped contacts. We detail the production of more than 2000 modules in one production run and show......A complete polymer solar cell module prepared in the ambient atmosphere under industrial conditions is presented. The versatility of the polymer solar cell technology is demonstrated through the use of abstract forms for the active area, a flexible substrate, processing entirely from solution...

On the large N limit of conformal field theory

International Nuclear Information System (INIS)

Halpern, M.B.

2003-01-01

Following recent advances in large N matrix mechanics, I discuss here the free (Cuntz) algebraic formulation of the large N limit of two-dimensional conformal field theories of chiral adjoint fermions and bosons. One of the central results is a new affine free algebra which describes a large N limit of su(N) affine Lie algebra. Other results include the associated free-algebraic partition functions and characters, a free-algebraic coset construction, free-algebraic construction of osp(1|2), free-algebraic vertex operator constructions in the large N Bose systems, and a provocative new free-algebraic factorization of the ordinary Koba-Nielsen factor

NEAT-FLEX: Predicting the conformational flexibility of amino acids using neuroevolution of augmenting topologies.

Science.gov (United States)

Grisci, Bruno; Dorn, Márcio

2017-06-01

The development of computational methods to accurately model three-dimensional protein structures from sequences of amino acid residues is becoming increasingly important to the structural biology field. This paper addresses the challenge of predicting the tertiary structure of a given amino acid sequence, which has been reported to belong to the NP-Complete class of problems. We present a new method, namely NEAT-FLEX, based on NeuroEvolution of Augmenting Topologies (NEAT) to extract structural features from (ABS) proteins that are determined experimentally. The proposed method manipulates structural information from the Protein Data Bank (PDB) and predicts the conformational flexibility (FLEX) of residues of a target amino acid sequence. This information may be used in three-dimensional structure prediction approaches as a way to reduce the conformational search space. The proposed method was tested with 24 different amino acid sequences. Evolving neural networks were compared against a traditional error back-propagation algorithm; results show that the proposed method is a powerful way to extract and represent structural information from protein molecules that are determined experimentally.

Programmable and functional electrothermal bimorph actuators based on large-area anisotropic carbon nanotube paper

Science.gov (United States)

Li, Qingwei; Liu, Changhong; Fan, Shoushan

2018-04-01

Electro-active polymer (EAP) actuators, such as electronic, ionic and electrothermal (ET) actuators, have become an important branch of next-generation soft actuators in bionic robotics. However, most reported EAP actuators could realize only simple movements, being restricted by the small area of flexible electrodes and simple designs. We prepared large-area flexible electrodes of high anisotropy, made of oriented carbon nanotube (CNT) paper, and carried out artful graphic designs and processing on the electrodes to make functional ET bimorph actuators which can realize large bending deformations (over 220°, curvature > 1.5 cm-1) and bionic movements driven by electricity. The anisotropy of CNT paper benefits electrode designs and multiform actuations for complex actuators. Based on the large-area CNT paper, more interesting and functional actuators can be designed and prepared which will have practical applications in the fields of artificial muscles, complicated actuations, and soft and bionic robotics.

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

Large-area functionalized CVD graphene for work function matched transparent electrodes

Science.gov (United States)

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.

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

Science.gov (United States)

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.

Flexible Graphene Transistor Architecture for Optical Sensor Technology

Science.gov (United States)

Ordonez, Richard Christopher

The unique electrical and optoelectronic properties of graphene allow tunable conductivity and broadband electromagnetic absorption that spans the ultraviolet and infrared regimes. However, in the current state-of-art graphene sensor architectures, junction resistance and doping concentration are predominant factors that affect signal strength and sensitivity. Unfortunately, graphene produces high contact resistances with standard electrode materials ( few kilo-ohms), therefore, signal is weak and large carrier concentrations are required to probe sensitivity. Moreover, the atomic thickness of graphene enables the potential for flexible electronics, but there has not been a successful graphene sensor architecture that demonstrates stable operation on flexible substrates and with minimal fabrication cost. In this study, the author explores a novel 3-terminal transistor architecture that integrates twodimensional graphene, liquid metal, and electrolytic gate dielectrics (LM-GFETs: Liquid Metal and Graphene Field-Effect Transistors ). The goal is to deliver a sensitive, flexible, and lightweight transistor architecture that will improve sensor technology and maneuverability. The reported high thermal conductivity of graphene provides potential for room-temperature thermal management without the need of thermal-electric and gas cooling systems that are standard in sensor platforms. Liquid metals provide a unique opportunity for conformal electrodes that maximize surface area contact, therefore, enable flexibility, lower contact resistance, and reduce damage to the graphene materials involved. Lastly, electrolytic gate dielectrics provide conformability and high capacitances needed for high on/off rations and electrostatic gating. Results demonstrated that with minimal fabrication steps the proposed flexible graphene transistor architecture demonstrated ambipolar current-voltage transfer characteristics that are comparable to the current state-of-the-art. An additional

Conformally connected universes

International Nuclear Information System (INIS)

Cantor, M.; Piran, T.

1983-01-01

A well-known difficulty associated with the conformal method for the solution of the general relativistic Hamiltonian constraint is the appearance of an aphysical ''bag of gold'' singularity at the nodal surface of the conformal factor. This happens whenever the background Ricci scalar is too large. Using a simple model, it is demonstrated that some of these singular solutions do have a physical meaning, and that these can be considered as initial data for Universe containing black holes, which are connected, in a conformally nonsingular way with each other. The relation between the ADM mass and the horizon area in this solution supports the cosmic censorship conjecture. (author)

Large-area smart glass and integrated photovoltaics

Energy Technology Data Exchange (ETDEWEB)

Lampert, C.M. [Star Science, 8730 Water Road, Cotati, CA 94931-4252 (United States)

2003-04-01

Several companies throughout the world are developing dynamic glazing and large-area flat panel displays. University and National Laboratory groups are researching new materials and processes to improve these products. The concept of a switchable glazing for building and vehicle application is very attractive. Conventional glazing only offers fixed transmittance and control of energy passing through it. Given the wide range of illumination conditions and glare, a dynamic glazing with adjustable transmittance offers the best solution. Photovoltaics can be integrated as power sources for smart windows. In this way a switchable window could be a completely stand alone smart system. A new range of large-area flat panel display including light-weight and flexible displays are being developed. These displays can be used for banner advertising, dynamic pricing in stores, electronic paper, and electronic books, to name only a few applications. This study covers selected switching technologies including electrochromism, suspended particles, and encapsulated liquid crystals.

Backup flexibility classes in emerging large-scale renewable electricity systems

International Nuclear Information System (INIS)

Schlachtberger, D.P.; Becker, S.; Schramm, S.; Greiner, M.

2016-01-01

Highlights: • Flexible backup demand in a European wind and solar based power system is modelled. • Three flexibility classes are defined based on production and consumption timescales. • Seasonal backup capacities are shown to be only used below 50% renewable penetration. • Large-scale transmission between countries can reduce fast flexible capacities. - Abstract: High shares of intermittent renewable power generation in a European electricity system will require flexible backup power generation on the dominant diurnal, synoptic, and seasonal weather timescales. The same three timescales are already covered by today’s dispatchable electricity generation facilities, which are able to follow the typical load variations on the intra-day, intra-week, and seasonal timescales. This work aims to quantify the changing demand for those three backup flexibility classes in emerging large-scale electricity systems, as they transform from low to high shares of variable renewable power generation. A weather-driven modelling is used, which aggregates eight years of wind and solar power generation data as well as load data over Germany and Europe, and splits the backup system required to cover the residual load into three flexibility classes distinguished by their respective maximum rates of change of power output. This modelling shows that the slowly flexible backup system is dominant at low renewable shares, but its optimized capacity decreases and drops close to zero once the average renewable power generation exceeds 50% of the mean load. The medium flexible backup capacities increase for modest renewable shares, peak at around a 40% renewable share, and then continuously decrease to almost zero once the average renewable power generation becomes larger than 100% of the mean load. The dispatch capacity of the highly flexible backup system becomes dominant for renewable shares beyond 50%, and reach their maximum around a 70% renewable share. For renewable shares

Highly Flexible and High-Performance Complementary Inverters of Large-Area Transition Metal Dichalcogenide Monolayers

KAUST Repository

Pu, Jiang; Funahashi, Kazuma; Chen, Chang-Hsiao; Li, Ming-yang; Li, Lain-Jong; Takenobu, Taishi

2016-01-01

Complementary inverters constructed from large-area monolayers of WSe2 and MoS2 achieve excellent logic swings and yield an extremely high gain, large total noise margin, low power consumption, and good switching speed. Moreover, the WSe2

Switch-loop flexibility affects transport of large drugs by the promiscuous AcrB multidrug efflux transporter.

Science.gov (United States)

Cha, Hi-jea; Müller, Reinke T; Pos, Klaas M

2014-08-01

Multidrug efflux transporters recognize a variety of structurally unrelated compounds for which the molecular basis is poorly understood. For the resistance nodulation and cell division (RND) inner membrane component AcrB of the AcrAB-TolC multidrug efflux system from Escherichia coli, drug binding occurs at the access and deep binding pockets. These two binding areas are separated by an 11-amino-acid-residue-containing switch loop whose conformational flexibility is speculated to be essential for drug binding and transport. A G616N substitution in the switch loop has a distinct and local effect on the orientation of the loop and on the ability to transport larger drugs. Here, we report a distinct phenotypical pattern of drug recognition and transport for the G616N variant, indicating that drug substrates with minimal projection areas of >70 Å(2) are less well transported than other substrates. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Fast, clash-free RNA conformational morphing using molecular junctions.

Science.gov (United States)

Héliou, Amélie; Budday, Dominik; Fonseca, Rasmus; van den Bedem, Henry

2017-07-15

Non-coding ribonucleic acids (ncRNA) are functional RNA molecules that are not translated into protein. They are extremely dynamic, adopting diverse conformational substates, which enables them to modulate their interaction with a large number of other molecules. The flexibility of ncRNA provides a challenge for probing their complex 3D conformational landscape, both experimentally and computationally. Despite their conformational diversity, ncRNAs mostly preserve their secondary structure throughout the dynamic ensemble. Here we present a kinematics-based procedure to morph an RNA molecule between conformational substates, while avoiding inter-atomic clashes. We represent an RNA as a kinematic linkage, with fixed groups of atoms as rigid bodies and rotatable bonds as degrees of freedom. Our procedure maintains RNA secondary structure by treating hydrogen bonds between base pairs as constraints. The constraints define a lower-dimensional, secondary-structure constraint manifold in conformation space, where motions are largely governed by molecular junctions of unpaired nucleotides. On a large benchmark set, we show that our morphing procedure compares favorably to peer algorithms, and can approach goal conformations to within a low all-atom RMSD by directing fewer than 1% of its atoms. Our results suggest that molecular junctions can modulate 3D structural rearrangements, while secondary structure elements guide large parts of the molecule along the transition to the correct final conformation. The source code, binaries and data are available at https://simtk.org/home/kgs . amelie.heliou@polytechnique.edu or vdbedem@stanford.edu. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

CMOS compatible route for GaAs based large scale flexible and transparent electronics

KAUST Repository

Nour, Maha A.; Ghoneim, Mohamed T.; Droopad, Ravi; Hussain, Muhammad Mustafa

2014-01-01

Flexible electronics using gallium arsenide (GaAs) for nano-electronics with high electron mobility and optoelectronics with direct band gap are attractive for many applications. Here we describe a state-of-the-art CMOS compatible batch fabrication process of transforming traditional electronic circuitry into large-area flexible, semitransparent platform. We show a simple release process for peeling off 200 nm of GaAs from 200 nm GaAs/300 nm AlAs stack on GaAs substrate using diluted hydrofluoric acid (HF). This process enables releasing a single top layer compared to peeling off all layers with small sizes at the same time. This is done utilizing a network of release holes which contributes to the better transparency (45 % at 724 nm wavelength) observed.

CMOS compatible route for GaAs based large scale flexible and transparent electronics

KAUST Repository

Nour, Maha A.

2014-08-01

Flexible electronics using gallium arsenide (GaAs) for nano-electronics with high electron mobility and optoelectronics with direct band gap are attractive for many applications. Here we describe a state-of-the-art CMOS compatible batch fabrication process of transforming traditional electronic circuitry into large-area flexible, semitransparent platform. We show a simple release process for peeling off 200 nm of GaAs from 200 nm GaAs/300 nm AlAs stack on GaAs substrate using diluted hydrofluoric acid (HF). This process enables releasing a single top layer compared to peeling off all layers with small sizes at the same time. This is done utilizing a network of release holes which contributes to the better transparency (45 % at 724 nm wavelength) observed.

Temporal flexibility and careers: The role of large-scale organizations for physicians

OpenAIRE

Forrest Briscoe

2006-01-01

Temporal flexibility and careers: The role of large-scale organizations for physicians. Forrest Briscoe Briscoe This study investigates how employment in large-scale organizations affects the work lives of practicing physicians. Well-established theory associates larger organizations with bureaucratic constraint, loss of workplace control, and dissatisfaction, but this author finds that large scale is also associated with greater schedule and career flexibility. Ironically, the bureaucratic p...

Flexible Gallium Nitride for High-Performance, Strainable Radio-Frequency Devices.

Science.gov (United States)

Glavin, Nicholas R; Chabak, Kelson D; Heller, Eric R; Moore, Elizabeth A; Prusnick, Timothy A; Maruyama, Benji; Walker, Dennis E; Dorsey, Donald L; Paduano, Qing; Snure, Michael

2017-12-01

Flexible gallium nitride (GaN) thin films can enable future strainable and conformal devices for transmission of radio-frequency (RF) signals over large distances for more efficient wireless communication. For the first time, strainable high-frequency RF GaN devices are demonstrated, whose exceptional performance is enabled by epitaxial growth on 2D boron nitride for chemical-free transfer to a soft, flexible substrate. The AlGaN/GaN heterostructures transferred to flexible substrates are uniaxially strained up to 0.85% and reveal near state-of-the-art values for electrical performance, with electron mobility exceeding 2000 cm 2 V -1 s -1 and sheet carrier density above 1.07 × 10 13 cm -2 . The influence of strain on the RF performance of flexible GaN high-electron-mobility transistor (HEMT) devices is evaluated, demonstrating cutoff frequencies and maximum oscillation frequencies greater than 42 and 74 GHz, respectively, at up to 0.43% strain, representing a significant advancement toward conformal, highly integrated electronic materials for RF applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Roll-to-roll slot-die coating of 400 mm wide, flexible, transparent Ag nanowire films for flexible touch screen panels.

Science.gov (United States)

Kim, Dong-Ju; Shin, Hae-In; Ko, Eun-Hye; Kim, Ki-Hyun; Kim, Tae-Woong; Kim, Han-Ki

2016-09-28

We report fabrication of large area Ag nanowire (NW) film coated using a continuous roll-to-roll (RTR) slot die coater as a viable alternative to conventional ITO electrodes for cost-effective and large-area flexible touch screen panels (TSPs). By controlling the flow rate of shear-thinning Ag NW ink in the slot die, we fabricated Ag NW percolating network films with different sheet resistances (30-70 Ohm/square), optical transmittance values (89-90%), and haze (0.5-1%) percentages. Outer/inner bending, twisting, and rolling tests as well as dynamic fatigue tests demonstrated that the mechanical flexibility of the slot-die coated Ag NW films was superior to that of conventional ITO films. Using diamond-shape patterned Ag NW layer electrodes (50 Ohm/square, 90% optical transmittance), we fabricated 12-inch flexible film-film type and rigid glass-film-film type TSPs. Successful operation of flexible TSPs with Ag NW electrodes indicates that slot-die-coated large-area Ag NW films are promising low cost, high performance, and flexible transparent electrodes for cost-effective large-area flexible TSPs and can be substituted for ITO films, which have high sheet resistance and are brittle.

Roll-to-roll slot-die coating of 400 mm wide, flexible, transparent Ag nanowire films for flexible touch screen panels

Science.gov (United States)

Kim, Dong-Ju; Shin, Hae-In; Ko, Eun-Hye; Kim, Ki-Hyun; Kim, Tae-Woong; Kim, Han-Ki

2016-09-01

We report fabrication of large area Ag nanowire (NW) film coated using a continuous roll-to-roll (RTR) slot die coater as a viable alternative to conventional ITO electrodes for cost-effective and large-area flexible touch screen panels (TSPs). By controlling the flow rate of shear-thinning Ag NW ink in the slot die, we fabricated Ag NW percolating network films with different sheet resistances (30-70 Ohm/square), optical transmittance values (89-90%), and haze (0.5-1%) percentages. Outer/inner bending, twisting, and rolling tests as well as dynamic fatigue tests demonstrated that the mechanical flexibility of the slot-die coated Ag NW films was superior to that of conventional ITO films. Using diamond-shape patterned Ag NW layer electrodes (50 Ohm/square, 90% optical transmittance), we fabricated 12-inch flexible film-film type and rigid glass-film-film type TSPs. Successful operation of flexible TSPs with Ag NW electrodes indicates that slot-die-coated large-area Ag NW films are promising low cost, high performance, and flexible transparent electrodes for cost-effective large-area flexible TSPs and can be substituted for ITO films, which have high sheet resistance and are brittle.

Universality of sparse d>2 conformal field theory at large N

Energy Technology Data Exchange (ETDEWEB)

Belin, Alexandre; Boer, Jan de; Kruthoff, Jorrit [Institute for Theoretical Physics Amsterdam and Delta Institute for Theoretical Physics,University of Amsterdam, Science Park 904, Amsterdam, 1098 XH The (Netherlands); Michel, Ben; Shaghoulian, Edgar; Shyani, Milind [Department of Physics, University of California,Santa Barbara, CA, 93106 (United States)

2017-03-13

We derive necessary and sufficient conditions for large N conformal field theories to have a universal free energy and an extended range of validity of the higher-dimensional Cardy formula. These constraints are much tighter than in two dimensions and must be satisfied by any conformal field theory dual to Einstein gravity. We construct and analyze symmetric product orbifold theories on T{sup d} and show that they only realize the necessary phase structure and extended range of validity if the seed theory is assumed to have a universal vacuum energy.

CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

Directory of Open Access Journals (Sweden)

Genki Terashi

Full Text Available Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align, which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1 agreement with the gold standard alignment, (2 alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3 consistency of the multiple alignments, and (4 classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins

CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

Science.gov (United States)

Terashi, Genki; Takeda-Shitaka, Mayuko

2015-01-01

Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D) coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align), which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1) agreement with the gold standard alignment, (2) alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3) consistency of the multiple alignments, and (4) classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite) using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins in both

Metal-assisted exfoliation (MAE): green, roll-to-roll compatible method for transferring graphene to flexible substrates

International Nuclear Information System (INIS)

Zaretski, Aliaksandr V; Moetazedi, Herad; Kong, Casey; Sawyer, Eric J; Savagatrup, Suchol; Valle, Eduardo; O’Connor, Timothy F; Printz, Adam D; Lipomi, Darren J

2015-01-01

Graphene is expected to play a significant role in future technologies that span a range from consumer electronics, to devices for the conversion and storage of energy, to conformable biomedical devices for healthcare. To realize these applications, however, a low-cost method of synthesizing large areas of high-quality graphene is required. Currently, the only method to generate large-area single-layer graphene that is compatible with roll-to-roll manufacturing destroys approximately 300 kg of copper foil (thickness = 25 μm) for every 1 g of graphene produced. This paper describes a new environmentally benign and scalable process of transferring graphene to flexible substrates. The process is based on the preferential adhesion of certain thin metallic films to graphene; separation of the graphene from the catalytic copper foil is followed by lamination to a flexible target substrate in a process that is compatible with roll-to-roll manufacturing. The copper substrate is indefinitely reusable and the method is substantially greener than the current process that uses relatively large amounts of corrosive etchants to remove the copper. The sheet resistance of the graphene produced by this new process is unoptimized but should be comparable in principle to that produced by the standard method, given the defects observable by Raman spectroscopy and the presence of process-induced cracks. With further improvements, this green, inexpensive synthesis of single-layer graphene could enable applications in flexible, stretchable, and disposable electronics, low-profile and lightweight barrier materials, and in large-area displays and photovoltaic modules. (paper)

Metal-assisted exfoliation (MAE): green, roll-to-roll compatible method for transferring graphene to flexible substrates

Science.gov (United States)

Zaretski, Aliaksandr V.; Moetazedi, Herad; Kong, Casey; Sawyer, Eric J.; Savagatrup, Suchol; Valle, Eduardo; O'Connor, Timothy F.; Printz, Adam D.; Lipomi, Darren J.

2015-01-01

Graphene is expected to play a significant role in future technologies that span a range from consumer electronics, to devices for the conversion and storage of energy, to conformable biomedical devices for healthcare. To realize these applications, however, a low-cost method of synthesizing large areas of high-quality graphene is required. Currently, the only method to generate large-area single-layer graphene that is compatible with roll-to-roll manufacturing destroys approximately 300 kg of copper foil (thickness = 25 μm) for every 1 g of graphene produced. This paper describes a new environmentally benign and scalable process of transferring graphene to flexible substrates. The process is based on the preferential adhesion of certain thin metallic films to graphene; separation of the graphene from the catalytic copper foil is followed by lamination to a flexible target substrate in a process that is compatible with roll-to-roll manufacturing. The copper substrate is indefinitely reusable and the method is substantially greener than the current process that uses relatively large amounts of corrosive etchants to remove the copper. The sheet resistance of the graphene produced by this new process is unoptimized but should be comparable in principle to that produced by the standard method, given the defects observable by Raman spectroscopy and the presence of process-induced cracks. With further improvements, this green, inexpensive synthesis of single-layer graphene could enable applications in flexible, stretchable, and disposable electronics, low-profile and lightweight barrier materials, and in large-area displays and photovoltaic modules.

Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains

KAUST Repository

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

2013-01-01

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

Relationship between structure, conformational flexibility, and biological activity of agonists and antagonists at the N-methyl-D-aspartic acid subtype of excitatory amino acid receptors

DEFF Research Database (Denmark)

Madsen, U; Brehm, L; Schaumburg, Kjeld

1990-01-01

The relationship between conformational flexibility and agonist or antagonist actions at the N-Methyl-D-aspartic acid (NMDA) subtype of central L-glutamic acid (GLU) receptors of a series of racemic piperidinedicarboxylic acids (PDAs) was studied. The conformational analyses were based on 1H NMR...... receptors. Each of the three cyclic acidic amino acids showing NMDA agonist activities was found to exist as an equilibrium mixture of two conformers in aqueous solution. In contrast, the NMDA antagonists cis-2,3-PDA and cis-2,4-PDA as well as the inactive compounds trans-2,5-PDA and cis-2,6-PDA were shown...

CAST: a new program package for the accurate characterization of large and flexible molecular systems.

Science.gov (United States)

Grebner, Christoph; Becker, Johannes; Weber, Daniel; Bellinger, Daniel; Tafipolski, Maxim; Brückner, Charlotte; Engels, Bernd

2014-09-15

The presented program package, Conformational Analysis and Search Tool (CAST) allows the accurate treatment of large and flexible (macro) molecular systems. For the determination of thermally accessible minima CAST offers the newly developed TabuSearch algorithm, but algorithms such as Monte Carlo (MC), MC with minimization, and molecular dynamics are implemented as well. For the determination of reaction paths, CAST provides the PathOpt, the Nudge Elastic band, and the umbrella sampling approach. Access to free energies is possible through the free energy perturbation approach. Along with a number of standard force fields, a newly developed symmetry-adapted perturbation theory-based force field is included. Semiempirical computations are possible through DFTB+ and MOPAC interfaces. For calculations based on density functional theory, a Message Passing Interface (MPI) interface to the Graphics Processing Unit (GPU)-accelerated TeraChem program is available. The program is available on request. Copyright © 2014 Wiley Periodicals, Inc.

The novel 2Fe–2S outer mitochondrial protein mitoNEET displays conformational flexibility in its N-terminal cytoplasmic tethering domain

International Nuclear Information System (INIS)

Conlan, Andrea R.; Paddock, Mark L.; Axelrod, Herbert L.; Cohen, Aina E.; Abresch, Edward C.; Wiley, Sandra; Roy, Melinda; Nechushtai, Rachel; Jennings, Patricia A.

2009-01-01

The crystal structure of the anti-diabetic drug target mitoNEET obtained from a GFP fusion construct (1.4 Å resolution, R factor = 20.2%) shows that the CDGSH 2Fe–2S binding domains are superimposable with previously determined non-fused constructs. However, there is considerable flexibility in the position of the outer mitochondrial tethering arms resulting in two different conformations in the crystal structure. A primary role for mitochondrial dysfunction is indicated in the pathogenesis of insulin resistance. A widely used drug for the treatment of type 2 diabetes is pioglitazone, a member of the thiazolidinedione class of molecules. MitoNEET, a 2Fe–2S outer mitochondrial membrane protein, binds pioglitazone [Colca et al. (2004 ▶), Am. J. Physiol. Endocrinol. Metab.286, E252–E260]. The soluble domain of the human mitoNEET protein has been expressed C-terminal to the superfolder green fluorescent protein and the mitoNEET protein has been isolated. Comparison of the crystal structure of mitoNEET isolated from cleavage of the fusion protein (1.4 Å resolution, R factor = 20.2%) with other solved structures shows that the CDGSH domains are superimposable, indicating proper assembly of mitoNEET. Furthermore, there is considerable flexibility in the position of the cytoplasmic tethering arms, resulting in two different conformations in the crystal structure. This flexibility affords multiple orientations on the outer mitochondrial membrane

Visualization of SV2A conformations in situ by the use of Protein Tomography

International Nuclear Information System (INIS)

Lynch, Berkley A.; Matagne, Alain; Braennstroem, Annika; Euler, Anne von; Jansson, Magnus; Hauzenberger, Elenor; Soederhaell, J. Arvid

2008-01-01

The synaptic vesicle protein 2A (SV2A), the brain-binding site of the anti-epileptic drug levetiracetam (LEV), has been characterized by Protein Tomography TM . We identified two major conformations of SV2A in mouse brain tissue: first, a compact, funnel-structure with a pore-like opening towards the cytoplasm; second, a more open, V-shaped structure with a cleft-like opening towards the intravesicular space. The large differences between these conformations suggest a high degree of flexibility and support a valve-like mechanism consistent with the postulated transporter role of SV2A. These two conformations are represented both in samples treated with LEV, and in saline-treated samples, which indicates that LEV binding does not cause a large-scale conformational change of SV2A, or lock a specific conformational state of the protein. This study provides the first direct structural data on SV2A, and supports a transporter function suggested by sequence homology to MFS class of transporter proteins

Conformational analysis of g protein-coupled receptor signaling by hydrogen/deuterium exchange mass spectrometry.

Science.gov (United States)

Li, Sheng; Lee, Su Youn; Chung, Ka Young

2015-01-01

Conformational change and protein-protein interactions are two major mechanisms of membrane protein signal transduction, including G protein-coupled receptors (GPCRs). Upon agonist binding, GPCRs change conformation, resulting in interaction with downstream signaling molecules such as G proteins. To understand the precise signaling mechanism, studies have investigated the structural mechanism of GPCR signaling using X-ray crystallography, nuclear magnetic resonance (NMR), or electron paramagnetic resonance. In addition to these techniques, hydrogen/deuterium exchange mass spectrometry (HDX-MS) has recently been used in GPCR studies. HDX-MS measures the rate at which peptide amide hydrogens exchange with deuterium in the solvent. Exposed or flexible regions have higher exchange rates and excluded or ordered regions have lower exchange rates. Therefore, HDX-MS is a useful tool for studying protein-protein interfaces and conformational changes after protein activation or protein-protein interactions. Although HDX-MS does not give high-resolution structures, it analyzes protein conformations that are difficult to study with X-ray crystallography or NMR. Furthermore, conformational information from HDX-MS can help in the crystallization of X-ray crystallography by suggesting highly flexible regions. Interactions between GPCRs and downstream signaling molecules are not easily analyzed by X-ray crystallography or NMR because of the large size of the GPCR-signaling molecule complexes, hydrophobicity, and flexibility of GPCRs. HDX-MS could be useful for analyzing the conformational mechanism of GPCR signaling. In this chapter, we discuss details of HDX-MS for analyzing GPCRs using the β2AR-G protein complex as a model system. © 2015 Elsevier Inc. All rights reserved.

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

KAUST Repository

Serag, Maged F.

2014-10-06

Single-molecule localization and tracking has been used to translate spatiotemporal information of individual molecules to map their diffusion behaviours. However, accurate analysis of diffusion behaviours and including other parameters, such as the conformation and size of molecules, remain as limitations to the method. Here, we report a method that addresses the limitations of existing single-molecular localization methods. The method is based on temporal tracking of the cumulative area occupied by molecules. These temporal fluctuations are tied to molecular size, rates of diffusion and conformational changes. By analysing fluorescent nanospheres and double-stranded DNA molecules of different lengths and topological forms, we demonstrate that our cumulative-area method surpasses the conventional single-molecule localization method in terms of the accuracy of determined diffusion coefficients. Furthermore, the cumulative-area method provides conformational relaxation times of structurally flexible chains along with diffusion coefficients, which together are relevant to work in a wide spectrum of scientific fields.

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

KAUST Repository

Serag, Maged F.; Abadi, Maram; Habuchi, Satoshi

2014-01-01

Single-molecule localization and tracking has been used to translate spatiotemporal information of individual molecules to map their diffusion behaviours. However, accurate analysis of diffusion behaviours and including other parameters, such as the conformation and size of molecules, remain as limitations to the method. Here, we report a method that addresses the limitations of existing single-molecular localization methods. The method is based on temporal tracking of the cumulative area occupied by molecules. These temporal fluctuations are tied to molecular size, rates of diffusion and conformational changes. By analysing fluorescent nanospheres and double-stranded DNA molecules of different lengths and topological forms, we demonstrate that our cumulative-area method surpasses the conventional single-molecule localization method in terms of the accuracy of determined diffusion coefficients. Furthermore, the cumulative-area method provides conformational relaxation times of structurally flexible chains along with diffusion coefficients, which together are relevant to work in a wide spectrum of scientific fields.

Halo histories versus galaxy properties at z = 0 II: large-scale galactic conformity

Science.gov (United States)

Tinker, Jeremy L.; Hahn, ChangHoon; Mao, Yao-Yuan; Wetzel, Andrew R.; Conroy, Charlie

2018-06-01

Using group catalogues from the Sloan Digital Sky Survey (SDSS) Data Release 7, we measure galactic conformity in the local universe. We measure the quenched fraction of neighbour galaxies around isolated primary galaxies, dividing the isolated sample into star-forming and quiescent objects. We restrict our measurements to scales >1 Mpc to probe the correlations between halo formation histories. Over the stellar mass range 109.7 ≤ M*/M⊙ ≤ 1010.9, we find minimal evidence for conformity. We further compare these data to predictions of the halo age-matching model, in which the oldest galaxies are associated with the oldest haloes. For models with strong correlations between halo and stellar age, the conformity is too large to be consistent with the data. Weaker implementations of the age-matching model would not produce a detectable signal in SDSS data. We reproduce the results of Kauffmann et al., in which the star formation rates of neighbour galaxies are reduced around primary galaxies when the primaries are low star formers. However, we find this result is mainly driven by contamination in the isolation criterion; when removing the small fraction of satellite galaxies in the sample, the conformity signal largely goes away. Lastly, we show that small conformity signals, i.e. 2-5 per cent differences in the quenched fractions of neighbour galaxies, can be produced by mechanisms other than halo assembly bias. For example, if passive galaxies occupy more massive haloes than star-forming galaxies of the same stellar mass, a conformity signal that is consistent with recent measurements from PRIMUS (Berti et al.) can be produced.

Fast printing of thin, large area, ITO free electrochromics on flexible barrier foil

DEFF Research Database (Denmark)

Søndergaard, Roar R.; Hösel, Markus; Jørgensen, Mikkel

2013-01-01

Processing of large area, indium tin oxide (ITO) free electrochromic (EC) devices has been carried out using roll-toroll (R2R) processing. By use of very fine high-conductive silver grids with a hexagonal structure, it is possible to achieve good transparency of the electrode covered substrates...... and when used in EC devices switching times are similar to corresponding ITO devices. This is obtained without the uneven switching of larger areas, which is generally observed when using ITO because of its high-sheet resistance. The silver electrode structures for 18 ×18 cm2 devices can be processed...

RapidRMSD: Rapid determination of RMSDs corresponding to motions of flexible molecules.

Science.gov (United States)

Neveu, Emilie; Popov, Petr; Hoffmann, Alexandre; Migliosi, Angelo; Besseron, Xavier; Danoy, Grégoire; Bouvry, Pascal; Grudinin, Sergei

2018-03-15

The root mean square deviation (RMSD) is one of the most used similarity criteria in structural biology and bioinformatics. Standard computation of the RMSD has a linear complexity with respect to the number of atoms in a molecule, making RMSD calculations time-consuming for the large-scale modeling applications, such as assessment of molecular docking predictions or clustering of spatially proximate molecular conformations. Previously we introduced the RigidRMSD algorithm to compute the RMSD corresponding to the rigid-body motion of a molecule. In this study we go beyond the limits of the rigid-body approximation by taking into account conformational flexibility of the molecule. We model the flexibility with a reduced set of collective motions computed with e.g. normal modes or principal component analysis. The initialization of our algorithm is linear in the number of atoms and all the subsequent evaluations of RMSD values between flexible molecular conformations depend only on the number of collective motions that are selected to model the flexibility. Therefore, our algorithm is much faster compared to the standard RMSD computation for large-scale modeling applications. We demonstrate the efficiency of our method on several clustering examples, including clustering of flexible docking results and molecular dynamics (MD) trajectories. We also demonstrate how to use the presented formalism to generate pseudo-random constant-RMSD structural molecular ensembles and how to use these in cross-docking. We provide the algorithm written in C ++ as the open-source RapidRMSD library governed by the BSD-compatible license, which is available at http://team.inria.fr/nano-d/software/RapidRMSD/. The constant-RMSD structural ensemble application and clustering of MD trajectories is available at http://team.inria.fr/nano-d/software/nolb-normal-modes/. sergei.grudinin@inria.fr. Supplementary data are available at Bioinformatics.

Large-Scale Direct-Writing of Aligned Nanofibers for Flexible Electronics.

Science.gov (United States)

Ye, Dong; Ding, Yajiang; Duan, Yongqing; Su, Jiangtao; Yin, Zhouping; Huang, Yong An

2018-05-01

Nanofibers/nanowires usually exhibit exceptionally low flexural rigidities and remarkable tolerance against mechanical bending, showing superior advantages in flexible electronics applications. Electrospinning is regarded as a powerful process for this 1D nanostructure; however, it can only be able to produce chaotic fibers that are incompatible with the well-patterned microstructures in flexible electronics. Electro-hydrodynamic (EHD) direct-writing technology enables large-scale deposition of highly aligned nanofibers in an additive, noncontact, real-time adjustment, and individual control manner on rigid or flexible, planar or curved substrates, making it rather attractive in the fabrication of flexible electronics. In this Review, the ground-breaking research progress in the field of EHD direct-writing technology is summarized, including a brief chronology of EHD direct-writing techniques, basic principles and alignment strategies, and applications in flexible electronics. Finally, future prospects are suggested to advance flexible electronics based on orderly arranged EHD direct-written fibers. This technology overcomes the limitations of the resolution of fabrication and viscosity of ink of conventional inkjet printing, and represents major advances in manufacturing of flexible electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large-area printed supercapacitor technology for low-cost domestic green energy storage

International Nuclear Information System (INIS)

Tehrani, Z.; Thomas, D.J.; Korochkina, T.; Phillips, C.O.; Lupo, D.; Lehtimäki, S.; O'Mahony, J.; Gethin, D.T.

2017-01-01

In this research we demonstrate that a flexible ultra-thin supercapacitor can be fabricated using high volume screen printing process. This has enabled the sequential deposition of current collector, electrode, electrolyte materials and adhesive onto a Polyethylene terephthalate (PET) substrate in order to form flexible electrodes for reliable energy storage applications. The electrodes were based on an activated carbon ink and gel electrolyte each of which were formulated for this application. Supercapacitors that have surface areas from 100 to 1600 mm"2 and an assembled device thickness of 375 μm were demonstrated. The capacitance ranged from 50 to 400 mF. Capacitance of printed carbon electrodes is rarely reported in literature and no references were found. The chemistry developed during this study displayed long-term cycling potential and demonstrated the stability of the capacitor for continued usage. The gel electrolyte developed within this work showed comparable performance to that of a liquid counterpart. This improvement resulted in the reduction in gel resistance from 90Ω to 0.5Ω. Significant reduction was observed for all resistances. The solid-state supercapacitors with the gel electrolyte showed comparable performance to the supercapacitors that used a liquid electrolyte. This large area printed device can be used in future houses for reliable green energy storage. - Highlights: • It has been demonstrated that a flexible supercapacitors with large area storage has been developed. • The simplified architecture has the potential to lead to a new class of printable, thin storage devices. • The specific capacitance of 21 F/g was measured.

Wearable and flexible electronics for continuous molecular monitoring.

Science.gov (United States)

Yang, Yiran; Gao, Wei

2018-04-03

Wearable biosensors have received tremendous attention over the past decade owing to their great potential in predictive analytics and treatment toward personalized medicine. Flexible electronics could serve as an ideal platform for personalized wearable devices because of their unique properties such as light weight, low cost, high flexibility and great conformability. Unlike most reported flexible sensors that mainly track physical activities and vital signs, the new generation of wearable and flexible chemical sensors enables real-time, continuous and fast detection of accessible biomarkers from the human body, and allows for the collection of large-scale information about the individual's dynamic health status at the molecular level. In this article, we review and highlight recent advances in wearable and flexible sensors toward continuous and non-invasive molecular analysis in sweat, tears, saliva, interstitial fluid, blood, wound exudate as well as exhaled breath. The flexible platforms, sensing mechanisms, and device and system configurations employed for continuous monitoring are summarized. We also discuss the key challenges and opportunities of the wearable and flexible chemical sensors that lie ahead.

Carbon Nanotube Flexible and Stretchable Electronics.

Science.gov (United States)

Cai, Le; Wang, Chuan

2015-12-01

The low-cost and large-area manufacturing of flexible and stretchable electronics using printing processes could radically change people's perspectives on electronics and substantially expand the spectrum of potential applications. Examples range from personalized wearable electronics to large-area smart wallpapers and from interactive bio-inspired robots to implantable health/medical apparatus. Owing to its one-dimensional structure and superior electrical property, carbon nanotube is one of the most promising material platforms for flexible and stretchable electronics. Here in this paper, we review the recent progress in this field. Applications of single-wall carbon nanotube networks as channel semiconductor in flexible thin-film transistors and integrated circuits, as stretchable conductors in various sensors, and as channel material in stretchable transistors will be discussed. Lastly, state-of-the-art advancement on printing process, which is ideal for large-scale fabrication of flexible and stretchable electronics, will also be reviewed in detail.

New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin.

Science.gov (United States)

Thach, Trung Thanh; Shin, Donghyuk; Han, Seungsu; Lee, Sangho

2016-04-01

The conformational flexibility of linkage-specific polyubiquitin chains enables ubiquitylated proteins and their receptors to be involved in a variety of cellular processes. Linear or Met1-linked polyubiquitin chains, associated with nondegradational cellular signalling pathways, have been known to adopt multiple conformations from compact to extended conformations. However, the extent of such conformational flexibility remains open. Here, the crystal structure of linear Ub2 was determined in a more compact conformation than that of the previously known structure (PDB entry 3axc). The two structures differ significantly from each other, as shown by an r.m.s.d. between C(α) atoms of 3.1 Å. The compactness of the linear Ub2 structure in comparison with PDB entry 3axc is supported by smaller values of the radius of gyration (Rg; 18 versus 18.9 Å) and the maximum interatomic distance (Dmax; 55.5 versus 57.8 Å). Extra intramolecular hydrogen bonds formed among polar residues between the distal and proximal ubiquitin moieties seem to contribute to stabilization of the compact conformation of linear Ub2. An ensemble of three semi-extended and extended conformations of linear Ub2 was also observed by small-angle X-ray scattering (SAXS) analysis in solution. In addition, the conformational heterogeneity in linear polyubiquitin chains is clearly manifested by SAXS analyses of linear Ub3 and Ub4: at least three distinct solution conformations are observed in each chain, with the linear Ub3 conformations being compact. The results expand the extent of conformational space of linear polyubiquitin chains and suggest that changes in the conformational ensemble may be pivotal in mediating multiple signalling pathways.

Flexible and tunable silicon photonic circuits on plastic substrates

Science.gov (United States)

Chen, Yu; Li, Huan; Li, Mo

2012-09-01

Flexible microelectronics has shown tremendous promise in a broad spectrum of applications, especially those that cannot be addressed by conventional microelectronics in rigid materials and constructions. These unconventional yet important applications range from flexible consumer electronics to conformal sensor arrays and biomedical devices. A recent paradigm shift in implementing flexible electronics is to physically transfer highly integrated devices made in high-quality, crystalline semiconductors on to plastic substrates. Here we demonstrate a flexible form of silicon photonics using the transfer-and-bond fabrication method. Photonic circuits including interferometers and resonators have been transferred onto flexible plastic substrates with preserved functionalities and performance. By mechanically deforming, the optical characteristics of the devices can be tuned reversibly over a remarkably large range. The demonstration of the new flexible photonic systems based on the silicon-on-plastic (SOP) platform could open the door to many future applications, including tunable photonics, optomechanical sensors and biomechanical and bio-photonic probes.

Conformation Generation: The State of the Art.

Science.gov (United States)

Hawkins, Paul C D

2017-08-28

The generation of conformations for small molecules is a problem of continuing interest in cheminformatics and computational drug discovery. This review will present an overview of methods used to sample conformational space, focusing on those methods designed for organic molecules commonly of interest in drug discovery. Different approaches to both the sampling of conformational space and the scoring of conformational stability will be compared and contrasted, with an emphasis on those methods suitable for conformer sampling of large numbers of drug-like molecules. Particular attention will be devoted to the appropriate utilization of information from experimental solid-state structures in validating and evaluating the performance of these tools. The review will conclude with some areas worthy of further investigation.

Flexible Carbon Aerogels

Directory of Open Access Journals (Sweden)

Marina Schwan

2016-09-01

Full Text Available Carbon aerogels are highly porous materials with a large inner surface area. Due to their high electrical conductivity they are excellent electrode materials in supercapacitors. Their brittleness, however, imposes certain limitations in terms of applicability. In that context, novel carbon aerogels with varying degree of flexibility have been developed. These highly porous, light aerogels are characterized by a high surface area and possess pore structures in the micrometer range, allowing for a reversible deformation of the aerogel network. A high ratio of pore size to particle size was found to be crucial for high flexibility. For dynamic microstructural analysis, compression tests were performed in-situ within a scanning electron microscope allowing us to directly visualize the microstructural flexibility of an aerogel. The flexible carbon aerogels were found to withstand between 15% and 30% of uniaxial compression in a reversible fashion. These findings might stimulate further research and new application fields directed towards flexible supercapacitors and batteries.

Recent advances in flexible low power cholesteric LCDs

Science.gov (United States)

Khan, Asad; Shiyanovskaya, Irina; Montbach, Erica; Schneider, Tod; Nicholson, Forrest; Miller, Nick; Marhefka, Duane; Ernst, Todd; Doane, J. W.

2006-05-01

Bistable reflective cholesteric displays are a liquid crystal display technology developed to fill a market need for very low power displays. Their unique look, high reflectivity, bistability, and simple structure make them an ideal flat panel display choice for handheld or other portable devices where small lightweight batteries with long lifetimes are important. Applications ranging from low resolution large signs to ultra high resolution electronic books can utilize cholesteric displays to not only benefit from the numerous features, but also create enabling features that other flat panel display technologies cannot. Flexible displays are the focus of attention of numerous research groups and corporations worldwide. Cholesteric displays have been demonstrated to be highly amenable to flexible substrates. This paper will review recent advances in flexible cholesteric displays including both phase separation and emulsification approaches to encapsulation. Both approaches provide unique benefits to various aspects of manufacturability, processes, flexibility, and conformability.

Nanopillars: Large Area Fabrication of Leaning Silicon Nanopillars for Surface Enhanced Raman Spectroscopy (Adv. Mater. 10/2012)

DEFF Research Database (Denmark)

Schmidt, Michael Stenbæk; Hübner, Jörg; Boisen, Anja

2012-01-01

M. S. Schmidt et al. describe on page OP11 a simple, two-step fabrication process to as-semble flexible, freestanding nanopillars into large-area substrates. These substrates can be made using readily available silicon-processing equipment and are suitable for SERS, having a large, uniform Raman ...

Frustration-guided motion planning reveals conformational transitions in proteins.

Science.gov (United States)

Budday, Dominik; Fonseca, Rasmus; Leyendecker, Sigrid; van den Bedem, Henry

2017-10-01

Proteins exist as conformational ensembles, exchanging between substates to perform their function. Advances in experimental techniques yield unprecedented access to structural snapshots of their conformational landscape. However, computationally modeling how proteins use collective motions to transition between substates is challenging owing to a rugged landscape and large energy barriers. Here, we present a new, robotics-inspired motion planning procedure called dCC-RRT that navigates the rugged landscape between substates by introducing dynamic, interatomic constraints to modulate frustration. The constraints balance non-native contacts and flexibility, and instantaneously redirect the motion towards sterically favorable conformations. On a test set of eight proteins determined in two conformations separated by, on average, 7.5 Å root mean square deviation (RMSD), our pathways reduced the Cα atom RMSD to the goal conformation by 78%, outperforming peer methods. We then applied dCC-RRT to examine how collective, small-scale motions of four side-chains in the active site of cyclophilin A propagate through the protein. dCC-RRT uncovered a spatially contiguous network of residues linked by steric interactions and collective motion connecting the active site to a recently proposed, non-canonical capsid binding site 25 Å away, rationalizing NMR and multi-temperature crystallography experiments. In all, dCC-RRT can reveal detailed, all-atom molecular mechanisms for small and large amplitude motions. Source code and binaries are freely available at https://github.com/ExcitedStates/KGS/. © 2017 Wiley Periodicals, Inc.

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

Science.gov (United States)

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.

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

Directory of Open Access Journals (Sweden)

Leslie Regad

Full Text Available 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

A simple and flexible route to large-area conductive transparent graphene thin-films

NARCIS (Netherlands)

Arapov, K.; Goryachev, A.; With, de G.; Friedrich, H.

2015-01-01

Solution-processed conductive, flexible and transparent graphene thin films continue drawing attention from science and technology due to their potential for many electrical applications. Here, an up-scalable method for the solution processing of graphite to graphene and further to self-assembled

Efficiency enhancement of flexible OLEDs by using nano-corrugated substrates and conformal Ag transparent anodes

Directory of Open Access Journals (Sweden)

Li Wang

2018-05-01

Full Text Available In flexible OLEDs (FOLEDs, the traditional ITO anode has disadvantages such as refractive-index mismatches among substrate and other functional layers, leads to light loss of nearly 80%, meanwhile, its brittle nature and lack in raw materials hinder its further applications. We investigated an efficient FOLED using a semi-transparent silver (Ag anode, whereas the device was built on a nano-corrugated flexible polycarbonate (PC substrate prepared by thermal nanoimprint lithography. The corrugations were well preserved on each layer of the device, both the micro-cavity effect and surface plasmon polariton (SPP modes of light loss were effectively suppressed. As a result, the current efficiency of the FOLED using a conformal corrugated Ag anode enhanced by 100% compared with a planar Ag anode device, and enhanced by 13% with conventional ITO device. In addition, owing to the quasi-periodical arrangements of the corrugations, the device achieved broad spectra and Lambertian angular emission. The Ag anode significantly improved the bending properties of the OLED as compared to the conventional ITO device, leading to a longer lifetime in practical use. The proposed manufacturing strategy will be useful for fabricating nano corrugations on plastic substrate of FOLED in a cost-effective and convenient manner.

Efficiency enhancement of flexible OLEDs by using nano-corrugated substrates and conformal Ag transparent anodes

Science.gov (United States)

Wang, Li; Luo, Yu; Feng, Xueming; Pei, Yuechen; Lu, Bingheng; Cheng, Shenggui

2018-05-01

In flexible OLEDs (FOLEDs), the traditional ITO anode has disadvantages such as refractive-index mismatches among substrate and other functional layers, leads to light loss of nearly 80%, meanwhile, its brittle nature and lack in raw materials hinder its further applications. We investigated an efficient FOLED using a semi-transparent silver (Ag) anode, whereas the device was built on a nano-corrugated flexible polycarbonate (PC) substrate prepared by thermal nanoimprint lithography. The corrugations were well preserved on each layer of the device, both the micro-cavity effect and surface plasmon polariton (SPP) modes of light loss were effectively suppressed. As a result, the current efficiency of the FOLED using a conformal corrugated Ag anode enhanced by 100% compared with a planar Ag anode device, and enhanced by 13% with conventional ITO device. In addition, owing to the quasi-periodical arrangements of the corrugations, the device achieved broad spectra and Lambertian angular emission. The Ag anode significantly improved the bending properties of the OLED as compared to the conventional ITO device, leading to a longer lifetime in practical use. The proposed manufacturing strategy will be useful for fabricating nano corrugations on plastic substrate of FOLED in a cost-effective and convenient manner.

Design of a Large-scale Three-dimensional Flexible Arrayed Tactile Sensor

Directory of Open Access Journals (Sweden)

Junxiang Ding

2011-01-01

Full Text Available This paper proposes a new type of large-scale three-dimensional flexible arrayed tactile sensor based on conductive rubber. It can be used to detect three-dimensional force information on the continuous surface of the sensor, which realizes a true skin type tactile sensor. The widely used method of liquid rubber injection molding (LIMS method is used for "the overall injection molding" sample preparation. The structure details of staggered nodes and a new decoupling algorithm of force analysis are given. Simulation results show that the sensor based on this structure can achieve flexible measurement of large-scale 3-D tactile sensor arrays.

Large quantum Fourier transforms are never exactly realized by braiding conformal blocks

International Nuclear Information System (INIS)

Freedman, Michael H.; Wang, Zhenghan

2007-01-01

Fourier transform is an essential ingredient in Shor's factoring algorithm. In the standard quantum circuit model with the gate set {U(2), controlled-NOT}, the discrete Fourier transforms F N =(ω ij ) NxN , i,j=0,1,...,N-1, ω=e 2πi at ∼sol∼ at N , can be realized exactly by quantum circuits of size O(n 2 ), n=ln N, and so can the discrete sine or cosine transforms. In topological quantum computing, the simplest universal topological quantum computer is based on the Fibonacci (2+1)-topological quantum field theory (TQFT), where the standard quantum circuits are replaced by unitary transformations realized by braiding conformal blocks. We report here that the large Fourier transforms F N and the discrete sine or cosine transforms can never be realized exactly by braiding conformal blocks for a fixed TQFT. It follows that an approximation is unavoidable in the implementation of Fourier transforms by braiding conformal blocks

Chain conformation, rheological and charge properties of fucoidan extracted from sea cucumber Thelenota ananas: A semi-flexible coil negative polyelectrolyte.

Science.gov (United States)

Xu, Xiaoqi; Xue, Changhu; Chang, Yaoguang; Liu, Guanchen

2017-12-15

As a bioactive and functional polysaccharide, sea cucumber fucoidan has received increasing attention. Chain conformation and physicochemical properties of fucoidan extracted from Thelenota ananas (Ta-FUC) was investigated by utilizing HPSEC-MALLS-Visc-RI, microelectrophoresis and steady shear measurements. The conformation parameter α s (0.61±0.02), the Mark-Houwink-Kuhn-Sakurada exponent α η (0.92±0.01), α h (0.64±0.01) and the Smidsrød-Haug stiffness parameter B (0.036±0.010) consistently manifested that Ta-FUC adopted a semi-flexible coil conformation in NaCl solution. Based on a wormlike cylinder model, stiffness parameters, including persistence length q (13.27±0.80nm) and cylinder diameter d (0.79nm), were calculated. This polysaccharide demonstrated shear-thinning rheological behaviour, and critical concentration from dilute to semidilute concentration regime was determined as 3.6mg/ml. Ta-FUC exhibited as a negative polyelectrolyte in wide pH and ionic strength ranges. These molecular characteristics and physicochemical properties would facilitate further application of Ta-FUC as a functional ingredient in food. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

Science.gov (United States)

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

To increase controllability of a large flexible antenna by modal optimization

Science.gov (United States)

Wang, Feng; Wang, Pengpeng; Jiang, Wenjian

2017-12-01

Large deployable antennas are widely used in aerospace engineering to meet the envelop limit of rocket fairing. The high flexibility and low damping of antenna has proposed critical requirement not only for stability control of the antenna itself, but also for attitude control of the satellite. This paper aims to increase controllability of a large flexible antenna by modal optimization. Firstly, Sensitivity analysis of antenna modal frequencies to stiffness of support structure and stiffness of scanning mechanism are conducted respectively. Secondly, Modal simulation results of antenna frequencies are given, influences of scanning angles on moment of inertia and modal frequencies are evaluated, and modal test is carried out to validate the simulation results. All the simulation and test results show that, after modal optimization the modal characteristic of the large deployable antenna meets the controllability requirement well.

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

Science.gov (United States)

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.

Flexible riser integrity management: areas of concern and applications

Energy Technology Data Exchange (ETDEWEB)

Podskarbi, Mateusz [Schlumberger Servicos de Petroleo Ltda., Rio de Janeiro, RJ (Brazil)

2008-07-01

Flexible risers are key enables for both deep water and shallow water offshore production developments. Number of flexible risers installed worldwide is into several thousands with two main concentration areas - offshore Brazil and North Sea. Flexible risers are subject to significant loads including environmental impacts, vessel motions, internal temperature and pressure as well as substantial installation loads. Excessive loads of one type or a combination of various types of loads can cause damage to the flexible that can lead to a catastrophic failure. Industry observed number of failures increasing in recent years. Operators and manufacturing companies are taking various steps to address this issue. One of possible approaches is to use monitoring instrumentation to measure riser response and integrity in real time. This paper reviews various types of flexible riser damage mechanisms caused by impact damage, corrosion, excessive pressure, armor wire rupture, compromising flexible riser minimum bend radius, excessive fatigue loading, etc. Failure mechanisms are reviewed with particular focus on the consequences that it causes in terms of risk to the infrastructure and detectable changes. Further part of the paper is focused on monitoring techniques employed and available to detect particular types of failure mechanisms. Systematic review of the monitoring techniques is provided with specific attention given to ability of these techniques to provide early warnings of riser failure. Evaluation of monitoring techniques versus modes of operation and failure mechanism is key to selecting appropriate system that ensures effectiveness of the integrity management program. (author)

Flexible eddy current coil arrays

International Nuclear Information System (INIS)

Krampfner, Y.; Johnson, D.P.

1987-01-01

A novel approach was devised to overcome certain limitations of conventional eddy current testing. The typical single-element hand-wound probe was replaced with a two dimensional array of spirally wound probe elements deposited on a thin, flexible polyimide substrate. This provides full and reliable coverage of the test area and eliminates the need for scanning. The flexible substrate construction of the array allows the probes to conform to irregular part geometries, such as turbine blades and tubing, thereby eliminating the need for specialized probes for each geometry. Additionally, the batch manufacturing process of the array can yield highly uniform and reproducible coil geometries. The array is driven by a portable computer-based eddy current instrument, smartEDDY/sup TM/, capable of two-frequency operation, and offers a great deal of versatility and flexibility due to its software-based architecture. The array is coupled to the instrument via an 80-switch multiplexer that can be configured to address up to 1600 probes. The individual array elements may be addressed in any desired sequence, as defined by the software

Static validation of licence conformance policies

DEFF Research Database (Denmark)

Hansen, Rene Rydhof; Nielson, Flemming; Nielson, Hanne Riis

2008-01-01

Policy conformance is a security property gaining importance due to commercial interest like Digital Rights Management. It is well known that static analysis can be used to validate a number of more classical security policies, such as discretionary and mandatory access control policies, as well...... as communication protocols using symmetric and asymmetric cryptography. In this work we show how to develop a Flow Logic for validating the conformance of client software with respect to a licence conformance policy. Our approach is sufficiently flexible that it extends to fully open systems that can admit new...

UNITY OF THE ORGANIZATIONAL FUNCTIONS FLEXIBILITY

OpenAIRE

George MOLDOVEANU; Cosmin DOBRIN

2012-01-01

The paper has the goal to analyse the correlation of the flexibility of all organizational functions. Based upon theoretical and practical studies, the decrease of flexibility into an "activity area" of organizations implies a diminution on a large scale of the flexibility of the processing system as a law expression of the decreasing outputs within economy. Therefore, at the level of each organizational function there are several major directions ensuring the flexibility of the "ensemble".

Conformational Fluctuations in G-Protein-Coupled Receptors

Science.gov (United States)

Brown, Michael F.

2014-03-01

G-protein-coupled receptors (GPCRs) comprise almost 50% of pharmaceutical drug targets, where rhodopsin is an important prototype and occurs naturally in a lipid membrane. Rhodopsin photoactivation entails 11-cis to all-trans isomerization of the retinal cofactor, yielding an equilibrium between inactive Meta-I and active Meta-II states. Two important questions are: (1) Is rhodopsin is a simple two-state switch? Or (2) does isomerization of retinal unlock an activated conformational ensemble? For an ensemble-based activation mechanism (EAM) a role for conformational fluctuations is clearly indicated. Solid-state NMR data together with theoretical molecular dynamics (MD) simulations detect increased local mobility of retinal after light activation. Resultant changes in local dynamics of the cofactor initiate large-scale fluctuations of transmembrane helices that expose recognition sites for the signal-transducing G-protein. Time-resolved FTIR studies and electronic spectroscopy further show the conformational ensemble is strongly biased by the membrane lipid composition, as well as pH and osmotic pressure. A new flexible surface model (FSM) describes how the curvature stress field of the membrane governs the energetics of active rhodopsin, due to the spontaneous monolayer curvature of the lipids. Furthermore, influences of osmotic pressure dictate that a large number of bulk water molecules are implicated in rhodopsin activation. Around 60 bulk water molecules activate rhodopsin, which is much larger than the number of structural waters seen in X-ray crystallography, or inferred from studies of bulk hydrostatic pressure. Conformational selection and promoting vibrational motions of rhodopsin lead to activation of the G-protein (transducin). Our biophysical data give a paradigm shift in understanding GPCR activation. The new view is: dynamics and conformational fluctuations involve an ensemble of substates that activate the cognate G-protein in the amplified visual

Fabricating large-area metallic woodpile photonic crystals using stacking and rolling

International Nuclear Information System (INIS)

Ibbotson, Lindsey A; Baumberg, Jeremy J

2013-01-01

Stacking thin polymer films supporting metal nanowire gratings provides a simple route, demonstrated here, to producing large-area metallic woodpile structures with high throughput. Under appropriate conditions the grating films can spontaneously roll up, giving a rapid and controllable method of creating multilayers. The resulting three-dimensional (3D) wire structures are flexible and potentially stretchable. Since this process can be extended to include a wide variety of functional materials, it opens up the manufacture of many tailored 3D optical metamaterials. (paper)

Design of Large Area PLEDs on Flexible Substrates: Highly Efficient Flexible Devices Using a Statistical Copolymer of Oxadiazole-Containing PPV

National Research Council Canada - National Science Library

Christian, Hermona Y; Vaidyanathan, Subbu; Ko, Changhee; Galvin, Mary E; Beyer, Rick

2004-01-01

With polymers as the active layer on a plastic substrate, construction of flexible devices is possible, although the use of calcium cathodes places stringent requirements on the encapsulation of the device...

Intramolecular structures in a single copolymer chain consisting of flexible and semiflexible blocks: Monte Carlo simulation of a lattice model

International Nuclear Information System (INIS)

Martemyanova, Julia A; Ivanov, Victor A; Paul, Wolfgang

2014-01-01

We study conformational properties of a single multiblock copolymer chain consisting of flexible and semiflexible blocks. Monomer units of different blocks are equivalent in the sense of the volume interaction potential, but the intramolecular bending potential between successive bonds along the chain is different. We consider a single flexible-semiflexible regular multiblock copolymer chain with equal content of flexible and semiflexible units and vary the length of the blocks and the stiffness parameter. We perform flat histogram type Monte Carlo simulations based on the Wang-Landau approach and employ the bond fluctuation lattice model. We present here our data on different non-trivial globular morphologies which we have obtained in our model for different values of the block length and the stiffness parameter. We demonstrate that the collapse can occur in one or in two stages depending on the values of both these parameters and discuss the role of the inhomogeneity of intraglobular distributions of monomer units of both flexible and semiflexible blocks. For short block length and/or large stiffness the collapse occurs in two stages, because it goes through intermediate (meta-)stable structures, like a dumbbell shaped conformation. In such conformations the semiflexible blocks form a cylinder-like core, and the flexible blocks form two domains at both ends of such a cylinder. For long block length and/or small stiffness the collapse occurs in one stage, and in typical conformations the flexible blocks form a spherical core of a globule while the semiflexible blocks are located on the surface and wrap around this core.

Nonlinear model and attitude dynamics of flexible spacecraft with large amplitude slosh

Science.gov (United States)

Deng, Mingle; Yue, Baozeng

2017-04-01

This paper is focused on the nonlinearly modelling and attitude dynamics of spacecraft coupled with large amplitude liquid sloshing dynamics and flexible appendage vibration. The large amplitude fuel slosh dynamics is included by using an improved moving pulsating ball model. The moving pulsating ball model is an equivalent mechanical model that is capable of imitating the whole liquid reorientation process. A modification is introduced in the capillary force computation in order to more precisely estimate the settling location of liquid in microgravity or zero-g environment. The flexible appendage is modelled as a three dimensional Bernoulli-Euler beam and the assumed modal method is employed to derive the nonlinear mechanical model for the overall coupled system of liquid filled spacecraft with appendage. The attitude maneuver is implemented by the momentum transfer technique, and a feedback controller is designed. The simulation results show that the liquid sloshing can always result in nutation behavior, but the effect of flexible deformation of appendage depends on the amplitude and direction of attitude maneuver performed by spacecraft. Moreover, it is found that the liquid sloshing and the vibration of flexible appendage are coupled with each other, and the coupling becomes more significant with more rapid motion of spacecraft. This study reveals that the appendage's flexibility has influence on the liquid's location and settling time in microgravity. The presented nonlinear system model can provide an important reference for the overall design of the modern spacecraft composed of rigid platform, liquid filled tank and flexible appendage.

Performance of Conformable Phenolic Impregnated Carbon Ablator in Aerothermal Environments

Science.gov (United States)

Thornton, Jeremy; Fan, Wendy; Stackpoole, Mairead; Kao, David; Skokova, Kristina; Chavez-Garcia, Jose

2012-01-01

Conformable Phenolic Impregnated Carbon Ablator, a cousin of Phenolic Impregnated Carbon Ablator (PICA), was developed at NASA Ames Research Center as a lightweight thermal protection system under the Fundamental Aeronautics Program. PICA is made using a brittle carbon substrate, which has a very low strain to failure. Conformable PICA is made using a flexible carbon substrate, a felt in this case. The flexible felt significantly increases the strain to failure of the ablator. PICA is limited by its thermal mechanical properties. Future NASA missions will require heatshields that are more fracture resistant than PICA and, as a result, NASA Ames is working to improve PICA's performance by developing conformable PICA to meet these needs. Research efforts include tailoring the chemistry of conformable PICA with varying amounts of additives to enhance mechanical properties and testing them in aerothermal environments. This poster shows the performance of conformable PICA variants in arc jets tests. Some mechanical and thermal properties will also be presented.

Multilayer conformal applicator for microwave heating and brachytherapy treatment of superficial tissue disease.

Science.gov (United States)

Juang, T; Stauffer, P R; Neuman, D G; Schlorff, J L

2006-11-01

The purpose of this study was to construct and perform preliminary functionality evaluations of a multilayer conformal applicator with provisions for thermal monitoring, tight conformity and simultaneous microwave heating and brachytherapy treatment of large-area contoured surfaces. The multilayer conformal applicator consists of thermal monitoring catheters for fibre-optic monitoring of skin temperatures, a waterbolus, a PCB microwave antenna array, a dielectric spacer for brachytherapy considerations, brachytherapy catheters for delivering HDR radiation and an inflatable air bladder for improving conformity to contoured surfaces. The applicator also includes an elastic attachment structure to hold the applicator securely in place on the patient. The conformity of the applicator to irregular surfaces was evaluated through CT imaging of the applicator fitted onto a life-sized human torso phantom. The fluid flow dynamics of the waterbolus, which impact the effectiveness of temperature control, were evaluated with thermometry during a 19 degrees C step change temperature of the circulating water. CT imaging showed improved conformity to the torso phantom surface following the application of gentle inward pressure from inflating the outer air bladder. Only a small number of 1-5 mm sized air gaps separated the conformal applicator and tissue surface. Thermometry testing of the bolus fluid flow dynamics demonstrated temperature uniformity within +/-0.82 degrees C across a 19 x 34 x 0.6 cm area bolus and +/-0.85 degrees C across a large 42 x 32 x 0.6 cm area bolus. CT scans of the applicator confirmed that the applicator conforms well to complex body contours and should maintain good conformity and positional stability even when worn on a mobile patient. Thermometry testing of two different waterbolus geometries demonstrated that uniform circulation and temperature control can be maintained throughout large, complex bolus shapes.

Flexible GaN for High Performance, Strainable Radio Frequency Devices (Postprint)

Science.gov (United States)

2017-11-02

wireless systems where consumers will benefit significantly from the high power densities achievable in GaN devices.[8] Further complicating the...future strainable and conformal devices for transmission of radio-frequency (RF) signals over large distances for more efficient wireless communication... power density of traditional RF amplifier materials at different frequencies and wireless generation bands, as well as an image of the flexible GaN

Promiscuity and the conformational rearrangement of drug-like molecules: insight from the protein data bank.

Science.gov (United States)

He, Michael W; Lee, Patrick S; Sweeney, Zachary K

2015-02-01

Selectivity is a central aspect of lead optimization in the drug discovery process. Medicinal chemists often try to decrease molecular flexibility to improve selectivity, given the common belief that the two are interdependent. To investigate the relationship between polypharmacology and conformational flexibility, we mined the Protein Data Bank and constructed a dataset of pharmaceutically relevant ligands that crystallized in more than one protein target while binding to each co-crystallized receptor with similar in vitro affinities. After analyzing the molecular conformations of these 100 ligands, we found that 59 ligands bound to different protein targets without significantly changing conformation, suggesting that there is no distinct correlation between conformational flexibility and polypharmacology within our dataset. Ligands crystallized in similar proteins and highly ligand-efficient compounds with five or fewer rotatable bonds were less likely to adjust conformation when binding. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large Neighborhood Search and Adaptive Randomized Decompositions for Flexible Jobshop Scheduling

DEFF Research Database (Denmark)

Pacino, Dario; Van Hentenryck, Pascal

2011-01-01

This paper considers a constraint-based scheduling approach to the flexible jobshop, a generalization of the traditional jobshop scheduling where activities have a choice of machines. It studies both large neighborhood (LNS) and adaptive randomized de- composition (ARD) schemes, using random...

Nanofabrication and Nanopatterning of Carbon Nanomaterials for Flexible Electronics

Science.gov (United States)

Ding, Junjun

Stretchable electrodes have increasingly drawn attention as a vital component for flexible electronic devices. Carbon nanomaterials such as graphene and carbon nanotubes (CNTs) exhibit properties such as high mechanical flexibility and strength, optical transparency, and electrical conductivity which are naturally required for stretchable electrodes. Graphene growth, nanopatterning, and transfer processes are important steps to use graphene as flexible electrodes. However, advances in the large-area nanofabrication and nanopatterning of carbon nanomaterials such as graphene are necessary to realize the full potential of this technology. In particular, laser interference lithography (LIL), a fast and low cost large-area nanoscale patterning technique, shows tremendous promise for the patterning of graphene and other nanostructures for numerous applications. First, it was demonstrated that large-area nanopatterning and the transfer of chemical vapor deposition (CVD) grown graphene via LIL and plasma etching provide a reliable method to provide large area nanoengineered graphene on various target substrates. Then, to improve the electrode performance under large strain (naturally CVD grown graphene sheet will crack at tensile strains larger than 1%), a corrugated graphene structure on PDMS was designed, fabricated, and tested, with experimental results indicating that this approach successfully allows the graphene sheets to withstand cyclic tensile strains up to 15%. Lastly, to further enhance the performance of carbon-based stretchable electrodes, an approach was developed which coupled graphene and vertically aligned CNT (VACNT) on a flexible PDMS substrate. Characterization of the graphene-VACNT hybrid shows high electrical conductivity and durability through 50 cycles of loading up to 100% tensile strain. While flexible electronics promise tremendous advances in important technological areas such as healthcare, sensing, energy, and wearable electronics, continued

Electromagnetic surface waves for large-area RF plasma productions between large-area planar electrodes

International Nuclear Information System (INIS)

Nonaka, S.

1992-01-01

Recently, large-area plasma production has been tested by means of a 13.56 MHz radio-frequency (RF) discharge between a pair of large-area planar electrodes, approximately 0.5 m x 1.4 m, as one of the semiconductor technologies for fabrication of large-area amorphous silicon solar cells in the ''Sunshine Project'' of the Agency of Industrial Science and Technology in Japan. We also confirmed long plasma production between a pair of long electrodes. In this paper, normal electromagnetic (EM) waves propagating in a region between a planar waveguide with one plasma and two dielectric layers are analyzed in order to study the feasibility of large-area plasma productions by EM wave-discharges between a pair of large-area RF electrodes larger than the half-wavelength of RF wave. In conclusion, plasmas higher than an electron plasma frequency will be produced by an odd TMoo surface mode. (author) 4 refs., 3 figs

Cold plasma decontamination using flexible jet arrays

Science.gov (United States)

Konesky, Gregory

2010-04-01

Arrays of atmospheric discharge cold plasma jets have been used to decontaminate surfaces of a wide range of microorganisms quickly, yet not damage that surface. Its effectiveness in decomposing simulated chemical warfare agents has also been demonstrated, and may also find use in assisting in the cleanup of radiological weapons. Large area jet arrays, with short dwell times, are necessary for practical applications. Realistic situations will also require jet arrays that are flexible to adapt to contoured or irregular surfaces. Various large area jet array prototypes, both planar and flexible, are described, as is the application to atmospheric decontamination.

A Printable Silicon Nano-Field Effect Transistor with High Operating Frequency for Large-Area Deployable Active Phased-Array Antennas, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Flexible electronic circuits can be easily integrated with large area (>10m aperture), inflatable antennas to provide distributed control and processing...

Molecular Dynamics Simulations of the STAS Domains of Rat Prestin and Human Pendrin Reveal Conformational Motions in Conserved Flexible Regions

Directory of Open Access Journals (Sweden)

Alok K. Sharma

2014-02-01

Full Text Available Background: Molecular dynamics (MD simulations provide valuable information on the conformational changes that accompany time-dependent motions in proteins. The reported crystal structure of rat prestin (PDB 3LLO is remarkable for an α1-α2 inter-helical angle that differs substantially from those observed in bacterial STAS domains of SulP anion transporters and anti-sigma factor antagonists. However, NMR data on the rat prestin STAS domain in solution suggests dynamic features at or near the α1-α2 helical region (Pasqualetto et al JMB, 2010. We therefore performed a 100 ns 300K MD simulation study comparing the STAS domains of rat prestin and (modeled human pendrin, to explore possible conformational flexibility in the region of the α1 and α2 helices. Methods: The conformation of the loop missing in the crystal structure of rat prestin STAS (11 amino acids between helix α1 and strand β3 was built using Modeller. MD simulations were performed with GROMACSv4.6 using GROMOS96 53a6 all-atom force field. Results: A subset of secondary structured elements of the STAS domains exhibits significant conformational changes during the simulation time course. The conformationally perturbed segments include the majority of loop regions, as well as the α1 and α2 helices. A significant decrease in the α1-α2 inter-helical angle observed across the simulation trajectory leads to closer helical packing at their C-termini. The end-simulation conformations of the prestin and pendrin STAS domains, including their decreased α1-α2 inter-helical angles, resemble more closely the packing of corresponding helices in the STAS structures of bacterial SulP transporters Rv1739c and ychM, as well as those of the anti-sigma factor antagonists. Several structural segments of the modeled human pendrin STAS domain exhibit larger atomic motions and greater conformational deviations than the corresponding regions of rat prestin, predicting that the human pendrin STAS

Attitude tracking control of flexible spacecraft with large amplitude slosh

Science.gov (United States)

Deng, Mingle; Yue, Baozeng

2017-12-01

This paper is focused on attitude tracking control of a spacecraft that is equipped with flexible appendage and partially filled liquid propellant tank. The large amplitude liquid slosh is included by using a moving pulsating ball model that is further improved to estimate the settling location of liquid in microgravity or a zero-g environment. The flexible appendage is modelled as a three-dimensional Bernoulli-Euler beam, and the assumed modal method is employed. A hybrid controller that combines sliding mode control with an adaptive algorithm is designed for spacecraft to perform attitude tracking. The proposed controller has proved to be asymptotically stable. A nonlinear model for the overall coupled system including spacecraft attitude dynamics, liquid slosh, structural vibration and control action is established. Numerical simulation results are presented to show the dynamic behaviors of the coupled system and to verify the effectiveness of the control approach when the spacecraft undergoes the disturbance produced by large amplitude slosh and appendage vibration. Lastly, the designed adaptive algorithm is found to be effective to improve the precision of attitude tracking.

Nonlinear analysis of flexible beams undergoing large rotations Via symbolic computations

Directory of Open Access Journals (Sweden)

Yuan Xiaofeng

2001-01-01

Full Text Available In this paper, a two-stage approach is presented for analyzing flexible beams undergoing large rotations. In the first stage, the symbolic forms of equations of motion and the Jacobian matrix are generated by means of MATLAB and written into a MATLAB script file automatically, where the flexible beams are described by the unified formulation presented in our previous paper. In the second stage, the derived equations of motion are solved by means of implicit numerical methods. Several comparison computations are performed. The two-stage approach proves to be much more efficient than pure numerical one.

Interfacial layers and semi-transparent electrodes for large area flexible organic photovoltaics

DEFF Research Database (Denmark)

Patil, Bhushan Ramesh

the exciton recombination and charge carrier losses in the devices. I report on the implementation of a novel exciton blocking layer of an intrinsic organic material, ‘N,N'-di-1-naphthalenyl-N,N'-diphenyl [1,1':4',1'':4'',1‴-quaterphenyl]-4,4‴-diamine (4P-NPD)’, in organic small molecule-based OPVs. Using...... this interlayer, the efficiency of OPV devices increased by approx. 24 % compared to reference devices. I also report on the use the use of electron transport layer of organic material ‘2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (Bathocuproine, BCP)’ for inverted small molecule-based lab-scale and up......-scaled OPVs. The pronounced clustering of the BCP layer lead to increasing discrepancies in the device performance with the increase in the device size, which disqualifies it for use of in the inverted large area OPVs. The second section deals with up-scaling of highly conductive semi-transparent electrodes...

Spectroscopic identification of ethanol-water conformers by large-amplitude hydrogen bond librational modes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, J.; Larsen, René Wugt

2015-01-01

⋯HO hydrogen bond acceptor in the two most stable conformations. In the most stable conformation, the water subunit forces the ethanol molecule into its less stable gauche configuration upon dimerization owing to a cooperative secondary weak O⋯HC hydrogen bondinteraction evidenced by a significantly blue......-shift of the low-frequency in-plane donor OH librational band origin. The strong correlation between the low-frequency in-plane donor OH librational motion and the secondary intermolecular O⋯HC hydrogen bond is demonstrated by electronic structure calculations. The experimental findings are further supported...... by CCSD(T)-F12/aug-cc-pVQZ calculations of the conformationalenergy differences together with second-order vibrational perturbation theory calculations of the large-amplitude donor OH librational band origins....

Encompassing receptor flexibility in virtual screening using ensemble docking-based hybrid QSAR: discovery of novel phytochemicals for BACE1 inhibition.

Science.gov (United States)

Chakraborty, Sandipan; Ramachandran, Balaji; Basu, Soumalee

2014-10-01

Mimicking receptor flexibility during receptor-ligand binding is a challenging task in computational drug design since it is associated with a large increase in the conformational search space. In the present study, we have devised an in silico design strategy incorporating receptor flexibility in virtual screening to identify potential lead compounds as inhibitors for flexible proteins. We have considered BACE1 (β-secretase), a key target protease from a therapeutic perspective for Alzheimer's disease, as the highly flexible receptor. The protein undergoes significant conformational transitions from open to closed form upon ligand binding, which makes it a difficult target for inhibitor design. We have designed a hybrid structure-activity model containing both ligand based descriptors and energetic descriptors obtained from molecular docking based on a dataset of structurally diverse BACE1 inhibitors. An ensemble of receptor conformations have been used in the docking study, further improving the prediction ability of the model. The designed model that shows significant prediction ability judged by several statistical parameters has been used to screen an in house developed 3-D structural library of 731 phytochemicals. 24 highly potent, novel BACE1 inhibitors with predicted activity (Ki) ≤ 50 nM have been identified. Detailed analysis reveals pharmacophoric features of these novel inhibitors required to inhibit BACE1.

Value of flexibility in systems with large wind penetration

OpenAIRE

Silva , Vera

2010-01-01

The focus of this thesis is the quantification of the value of operation flexibility in systems with large penetration of wind generation. This begins with the quantification of the impact of wind generation (WG) uncertainty on the system's needs for frequency regulation and reserve. This is done by combing the stochastic behaviour of wind generation, demand uncertainty and generation outages. Two different approaches are compared to access the implications of using normal distribution approx...

Fabrication of a large-area, flexible micro-pyramid PET film SERS substrate and its application in the detection of dye in herbal tea

Science.gov (United States)

Liu, Xi; Huang, Meizhen; Chen, Jie; Kong, Lili; Wang, Keihui

2018-05-01

A simple method, based on a roll-to-roll ultraviolet micro-pyramid imprinting technique and a nanoparticle self-assembling process in aqueous solution, to fabricate a large-area, flexible surface-enhanced Raman scattering (SERS) polyethylene glycol terephthalate substrate is proposed. The SERS substrate is demonstrated to be of high sensitivity. The detection concentration of Rhodamine 6G (R6G) measured by a portable Raman spectrometer is down to 10-9 mol l-1. The relative standard deviation values of different spots and different substrates are less than 13%. In addition, the feasibility for rapid detection of dye in herbal tea based on this SERS substrate and a portable Raman spectrometer is investigated. Three industrial dyes are employed to simulate the dyeing process. It is presented that R6G of 4.8× {{10}-7} g ml-1, malachite green of 10-6 g ml-1 and Auramine O of 10-6 g ml-1 in herbal tea could be detected rapidly. The experimental results imply that this method could be potentially applied in the field of dyed herbal tea detection.

Conformal window in QCD for large numbers of colors and flavors

International Nuclear Information System (INIS)

Zhitnitsky, Ariel R.

2014-01-01

We conjecture that the phase transitions in QCD at large number of colors N≫1 is triggered by the drastic change in the instanton density. As a result of it, all physical observables also experience some sharp modification in the θ behavior. This conjecture is motivated by the holographic model of QCD where confinement–deconfinement phase transition indeed happens precisely at temperature T=T c where θ-dependence of the vacuum energy experiences a sudden change in behavior: from N 2 cos(θ/N) at T c to cosθexp(−N) at T>T c . This conjecture is also supported by recent lattice studies. We employ this conjecture to study a possible phase transition as a function of κ≡N f /N from confinement to conformal phase in the Veneziano limit N f ∼N when number of flavors and colors are large, but the ratio κ is finite. Technically, we consider an operator which gets its expectation value solely from non-perturbative instanton effects. When κ exceeds some critical value κ>κ c the integral over instanton size is dominated by small-size instantons, making the instanton computations reliable with expected exp(−N) behavior. However, when κ c , the integral over instanton size is dominated by large-size instantons, and the instanton expansion breaks down. This regime with κ c corresponds to the confinement phase. We also compute the variation of the critical κ c (T,μ) when the temperature and chemical potential T,μ≪Λ QCD slightly vary. We also discuss the scaling (x i −x j ) −γ det in the conformal phase

Conformity Assessment as a Tool for Organizational Learning in Large Engineering and Construction Projects

Directory of Open Access Journals (Sweden)

Luciano Assalim

2013-05-01

Full Text Available For the successful realization of large engineering and construction projects (LECPs, a systemic organizational learning framework for institutional cooperation is critical. Due to the long project life-cycle of LECPs, this is particularly important for this kind of project. The objective of this paper is to analyze to what extent the conformity assessment of LECPs, carried out under Engineering, Procurement and Construction management (EPCm services, can be used as a tool for organizational learning and cooperation between typical stakeholders (project owners, engineering contractors, EPC contractors; subcontractors and certification bodies. The research, from which this paper emanates, was based on a case study concerning LECPs in an oil and gas company in Brazil. Based on its results, we suggest that the proposed organizational learning framework, supported by the conformity assessment rationale, constitutes an important management tool that can be disseminated in other organizational contexts where conformity assessments of LECPs take place.

Printable Nano-Field Effect Transistors Combined with Carbon Nanotube Based Printable Interconnect Wires for Large-Area Deployable Active Phased-Array, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Flexible electronic circuits can be easily integrated with large area (>10m aperture), inflatable antennas to provide distributed control and processing...

Differential active site loop conformations mediate promiscuous activities in the lactonase SsoPox.

Directory of Open Access Journals (Sweden)

Julien Hiblot

Full Text Available Enzymes are proficient catalysts that enable fast rates of Michaelis-complex formation, the chemical step and products release. These different steps may require different conformational states of the active site that have distinct binding properties. Moreover, the conformational flexibility of the active site mediates alternative, promiscuous functions. Here we focused on the lactonase SsoPox from Sulfolobus solfataricus. SsoPox is a native lactonase endowed with promiscuous phosphotriesterase activity. We identified a position in the active site loop (W263 that governs its flexibility, and thereby affects the substrate specificity of the enzyme. We isolated two different sets of substitutions at position 263 that induce two distinct conformational sampling of the active loop and characterized the structural and kinetic effects of these substitutions. These sets of mutations selectively and distinctly mediate the improvement of the promiscuous phosphotriesterase and oxo-lactonase activities of SsoPox by increasing active-site loop flexibility. These observations corroborate the idea that conformational diversity governs enzymatic promiscuity and is a key feature of protein evolvability.

Large area x-ray detectors for cargo radiography

Science.gov (United States)

Bueno, C.; Albagli, D.; Bendahan, J.; Castleberry, D.; Gordon, C.; Hopkins, F.; Ross, W.

2007-04-01

Large area x-ray detectors based on phosphors coupled to flat panel amorphous silicon diode technology offer significant advances for cargo radiologic imaging. Flat panel area detectors provide large object coverage offering high throughput inspections to meet the high flow rate of container commerce. These detectors provide excellent spatial resolution when needed, and enhanced SNR through low noise electronics. If the resolution is reduced through pixel binning, further advances in SNR are achievable. Extended exposure imaging and frame averaging enables improved x-ray penetration of ultra-thick objects, or "select-your-own" contrast sensitivity at a rate many times faster than LDAs. The areal coverage of flat panel technology provides inherent volumetric imaging with the appropriate scanning methods. Flat panel area detectors have flexible designs in terms of electronic control, scintillator selection, pixel pitch, and frame rates. Their cost is becoming more competitive as production ramps up for the healthcare, nondestructive testing (NDT), and homeland protection industries. Typically used medical and industrial polycrystalline phosphor materials such as Gd2O2S:Tb (GOS) can be applied to megavolt applications if the phosphor layer is sufficiently thick to enhance x-ray absorption, and if a metal radiator is used to augment the quantum detection efficiency and reduce x-ray scatter. Phosphor layers ranging from 0.2-mm to 1-mm can be "sandwiched" between amorphous silicon flat panel diode arrays and metal radiators. Metal plates consisting of W, Pb or Cu, with thicknesses ranging from 0.25-mm to well over 1-mm can be used by covering the entire area of the phosphor plate. In some combinations of high density metal and phosphor layers, the metal plate provides an intensification of 25% in signal due to electron emission from the plate and subsequent excitation within the phosphor material. This further improves the SNR of the system.

Large-area graphene films by simple solution casting of edge-selectively functionalized graphite.

Science.gov (United States)

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.

A combined variable temperature 600 MHz NMR/MD study of the calcium release agent cyclic adenosine diphosphate ribose (cADPR): Structure, conformational analysis, and thermodynamics of the conformational equilibria.

Science.gov (United States)

Javornik, Uroš; Plavec, Janez; Wang, Baifan; Graham, Steven M

2018-01-02

A combined variable temperature 600 MHz NMR/molecular dynamics study of the Ca 2+ -release agent cyclic adenosine 5'-diphosphate ribose (cADPR) was conducted. In addition to elucidating the major and minor orientations of the conformationally flexible furanose rings, γ- (C4'-C5'), and β- (C5'-O5') bonds, the thermodynamics (ΔH o , ΔS o ) associated with each of these conformational equilibria were determined. Both furanose rings were biased towards a south conformation (64-74%) and both β-bonds heavily favored trans conformations. The R-ring γ-bond was found to exist almost exclusively as the γ + conformer, whereas the A-ring γ-bond was a mixture of the γ + and γ t conformers, with the trans conformer being slightly favored. Enthalpic factors accounted for most of the observed conformational preferences, although the R-ring furanose exists as its major conformation based solely on entropic factors. There was excellent agreement between the NMR and MD results, particularly with regard to the conformer identities, but the MD showed a bias towards γ + conformers. The MD results showed that both N-glycosidic χ-bonds are exclusively syn. Collectively the data allowed for the construction of a model for cADPR in which many of the conformationally flexible units in fact effectively adopt single orientations and where most of the conformational diversity resides in its A-ring furanose and γ-bond. Copyright © 2017 Elsevier Ltd. All rights reserved.

Variability of the Cyclin-Dependent Kinase 2 Flexibility Without Significant Change in the Initial Conformation of the Protein or Its Environment; a Computational Study.

Science.gov (United States)

Taghizadeh, Mohammad; Goliaei, Bahram; Madadkar-Sobhani, Armin

2016-06-01

Protein flexibility, which has been referred as a dynamic behavior has various roles in proteins' functions. Furthermore, for some developed tools in bioinformatics, such as protein-protein docking software, considering the protein flexibility, causes a higher degree of accuracy. Through undertaking the present work, we have accomplished the quantification plus analysis of the variations in the human Cyclin Dependent Kinase 2 (hCDK2) protein flexibility without affecting a significant change in its initial environment or the protein per se. The main goal of the present research was to calculate variations in the flexibility for each residue of the hCDK2, analysis of their flexibility variations through clustering, and to investigate the functional aspects of the residues with high flexibility variations. Using Gromacs package (version 4.5.4), three independent molecular dynamics (MD) simulations of the hCDK2 protein (PDB ID: 1HCL) was accomplished with no significant changes in their initial environments, structures, or conformations, followed by Root Mean Square Fluctuations (RMSF) calculation of these MD trajectories. The amount of variations in these three curves of RMSF was calculated using two formulas. More than 50% of the variation in the flexibility (the distance between the maximum and the minimum amount of the RMSF) was found at the region of Val-154. As well, there are other major flexibility fluctuations in other residues. These residues were mostly positioned in the vicinity of the functional residues. The subsequent works were done, as followed by clustering all hCDK2 residues into four groups considering the amount of their variability with respect to flexibility and their position in the RMSF curves. This work has introduced a new class of flexibility aspect of the proteins' residues. It could also help designing and engineering proteins, with introducing a new dynamic aspect of hCDK2, and accordingly, for the other similar globular proteins. In

Printable Transparent Conductive Films for Flexible Electronics.

Science.gov (United States)

Li, Dongdong; Lai, Wen-Yong; Zhang, Yi-Zhou; Huang, Wei

2018-03-01

Printed electronics are an important enabling technology for the development of low-cost, large-area, and flexible optoelectronic devices. Transparent conductive films (TCFs) made from solution-processable transparent conductive materials, such as metal nanoparticles/nanowires, carbon nanotubes, graphene, and conductive polymers, can simultaneously exhibit high mechanical flexibility, low cost, and better photoelectric properties compared to the commonly used sputtered indium-tin-oxide-based TCFs, and are thus receiving great attention. This Review summarizes recent advances of large-area flexible TCFs enabled by several roll-to-roll-compatible printed techniques including inkjet printing, screen printing, offset printing, and gravure printing using the emerging transparent conductive materials. The preparation of TCFs including ink formulation, substrate treatment, patterning, and postprocessing, and their potential applications in solar cells, organic light-emitting diodes, and touch panels are discussed in detail. The rational combination of a variety of printed techniques with emerging transparent conductive materials is believed to extend the opportunities for the development of printed electronics within the realm of flexible electronics and beyond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large Area 2D and 3D Colloidal Photonic Crystals Fabricated by a Roll-to-Roll Langmuir-Blodgett Method.

Science.gov (United States)

Parchine, Mikhail; McGrath, Joe; Bardosova, Maria; Pemble, Martyn E

2016-06-14

We present our results on the fabrication of large area colloidal photonic crystals on flexible poly(ethylene terephthalate) (PET) film using a roll-to-roll Langmuir-Blodgett technique. Two-dimensional (2D) and three-dimensional (3D) colloidal photonic crystals from silica nanospheres (250 and 550 nm diameter) with a total area of up to 340 cm(2) have been fabricated in a continuous manner compatible with high volume manufacturing. In addition, the antireflective properties and structural integrity of the films have been enhanced via the use of a second roll-to-roll process, employing a slot-die coating of an optical adhesive over the photonic crystal films. Scanning electron microscopy images, atomic force microscopy images, and UV-vis optical transmission and reflection spectra of the fabricated photonic crystals are analyzed. This analysis confirms the high quality of the 2D and 3D photonic crystals fabricated by the roll-to-roll LB technique. Potential device applications of the large area 2D and 3D colloidal photonic crystals on flexible PET film are briefly reviewed.

An Efficient Null Model for Conformational Fluctuations in Proteins

DEFF Research Database (Denmark)

Harder, Tim Philipp; Borg, Mikael; Bottaro, Sandro

2012-01-01

Protein dynamics play a crucial role in function, catalytic activity, and pathogenesis. Consequently, there is great interest in computational methods that probe the conformational fluctuations of a protein. However, molecular dynamics simulations are computationally costly and therefore are often...... limited to comparatively short timescales. TYPHON is a probabilistic method to explore the conformational space of proteins under the guidance of a sophisticated probabilistic model of local structure and a given set of restraints that represent nonlocal interactions, such as hydrogen bonds or disulfide...... on conformational fluctuations that is in correspondence with experimental measurements. TYPHON provides a flexible, yet computationally efficient, method to explore possible conformational fluctuations in proteins....

Lessons from "Ugly Betty": Business Attire as a Conformity Strategy

Science.gov (United States)

Burgess-Wilkerson, Barbara; Thomas, Jane Boyd

2009-01-01

Business students should understand the relevance of professional attire as an indication of conformity. Of equal importance is the recognition that some companies have loosened their dress codes to a more flexible policy to recruit young talent. "Ugly Betty" could serve as a teaching tool to initiate the dialogue on conformity in a light-hearted,…

A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery

Science.gov (United States)

Cholko, Timothy; Chen, Wei; Tang, Zhiye; Chang, Chia-en A.

2018-05-01

Abnormal activity of cyclin-dependent kinase 8 (CDK8) along with its partner protein cyclin C (CycC) is a common feature of many diseases including colorectal cancer. Using molecular dynamics (MD) simulations, this study determined the dynamics of the CDK8-CycC system and we obtained detailed breakdowns of binding energy contributions for four type-I and five type-II CDK8 inhibitors. We revealed system motions and conformational changes that will affect ligand binding, confirmed the essentialness of CycC for inclusion in future computational studies, and provide guidance in development of CDK8 binders. We employed unbiased all-atom MD simulations for 500 ns on twelve CDK8-CycC systems, including apoproteins and protein-ligand complexes, then performed principal component analysis (PCA) and measured the RMSF of key regions to identify protein dynamics. Binding pocket volume analysis identified conformational changes that accompany ligand binding. Next, H-bond analysis, residue-wise interaction calculations, and MM/PBSA were performed to characterize protein-ligand interactions and find the binding energy. We discovered that CycC is vital for maintaining a proper conformation of CDK8 to facilitate ligand binding and that the system exhibits motion that should be carefully considered in future computational work. Surprisingly, we found that motion of the activation loop did not affect ligand binding. Type-I and type-II ligand binding is driven by van der Waals interactions, but electrostatic energy and entropic penalties affect type-II binding as well. Binding of both ligand types affects protein flexibility. Based on this we provide suggestions for development of tighter-binding CDK8 inhibitors and offer insight that can aid future computational studies.

Microstructure formation via roll-to-roll UV embossing using a flexible mould made from a laminated polymer–copper film

International Nuclear Information System (INIS)

Zhong, Z W; Shan, X C

2012-01-01

Roll-to-roll large format UV embossing processes aim to revolutionize the manufacturing of functional films, with the ability to process a large area at one time, resulting in high throughput and cost reduction. In this paper, we present the experimental results obtained during the process development for roll-to-roll large format UV embossing. Flexible moulds were fabricated from a hybrid film substrate made of a liquid crystal polymer with clad copper foils laminated on both sides of it. The effective pattern area of the fabricated flexible mould was 400 mm × 300 mm with a minimal feature size of 50 µm. The results show that the roll-to-roll embossing processes are capable of producing micro-scale structures and functional devices over a large area at one time. Large-area roll-to-roll embossing was demonstrated by using the hybrid flexible mould, and micro-features and structures such as micro-channels and dot arrays were replicated on thermoplastic substrates. In addition to its ease and low cost in fabrication, the hybrid flexible moulds demonstrated to have acceptable fidelity and durability. The hybrid flexible mould is a novel solution for large-area embossing. (paper)

Inspection des pieces flexibles sans gabarit de conformation

Science.gov (United States)

Aidibe, Ali

defined as giving a clear idea to the manufacturing industry about the situation of the parts on the flexibility scale. Subsequently, we propose a new fixtureless inspection method for compliant parts: the IDB-CTB " Inspection of Deformable Bodies by Curvature and Thompson-Biweight " method. This approach combines the Gaussian curvature estimation, one of the intrinsic properties of the surface which is invariant under isometric transformations, with an identification method based on the extreme value statistics ( Thompson-Biweight Test). The low percentage of error in defect areas and in profile deviations estimated reflects the effectiveness of our approach. In the third phase of this thesis, we propose a novel method that can be considered as complementary to the IDB-CTB approach. In addition to the profile deviations, we aim to detect the localization defects. We introduce two criteria that correspond to the specification of compliant parts: the conservation of the curvilinear distance and the minimization between two objects (Hausdorff Distance). We adapt and automate the Coherent Point Drift; a powerful non-rigid registration algorithm widely used in medical imagery and animation, for satisfying these two criteria. We obtain satisfying results by applying the third approach on a typical aerospace sheet metal. The conclusion of this thesis summarizes the scientific contributions through our work on the fixtureless inspection of compliant parts and the perspective related with it. In the appendix, we introduce a graphical user interface (GUI) created to handle the proposed approaches as well as the case studies bank developed in the training at Bombardier Aerospace Inc.

Population distribution of flexible molecules from maximum entropy analysis using different priors as background information: application to the Φ, Ψ-conformational space of the α-(1-->2)-linked mannose disaccharide present in N- and O-linked glycoproteins.

Science.gov (United States)

Säwén, Elin; Massad, Tariq; Landersjö, Clas; Damberg, Peter; Widmalm, Göran

2010-08-21

JCX/SU09. Reapplication of the maximum entropy analysis gave excellent agreement between the MD- and DB-posteriors. The information entropies show that the current reparametrization of the Karplus relationships constitutes a significant improvement. The Φ(H) torsion angle of the disaccharide is governed by the exo-anomeric effect and for the dominating conformation Φ(H) = -40 degrees and Ψ(H) = 33 degrees. The minor conformational state has a negative Ψ(H) torsion angle; the relative populations of the major and the minor states are approximately 3 : 1. It is anticipated that application of the methodology will be useful to flexible molecules ranging from small organic molecules to large biomolecules.

Enrichment of Druggable Conformations from Apo Protein Structures Using Cosolvent-Accelerated Molecular Dynamics

Directory of Open Access Journals (Sweden)

Andrew Kalenkiewicz

2015-04-01

Full Text Available Here we describe the development of an improved workflow for utilizing experimental and simulated protein conformations in the structure-based design of inhibitors for anti-apoptotic Bcl-2 family proteins. Traditional structure-based approaches on similar targets are often constrained by the sparsity of available structures and difficulties in finding lead compounds that dock against flat, flexible protein-protein interaction surfaces. By employing computational docking of known small molecule inhibitors, we have demonstrated that structural ensembles derived from either accelerated MD (aMD or MD in the presence of an organic cosolvent generally give better scores than those assessed from analogous conventional MD. Furthermore, conformations obtained from combined cosolvent aMD simulations started with the apo-Bcl-xL structure yielded better average and minimum docking scores for known binders than an ensemble of 72 experimental apo- and ligand-bound Bcl-xL structures. A detailed analysis of the simulated conformations indicates that the aMD effectively enhanced conformational sampling of the flexible helices flanking the main Bcl-xL binding groove, permitting the cosolvent acting as small ligands to penetrate more deeply into the binding pocket and shape ligand-bound conformations not evident in conventional simulations. We believe this approach could be useful for identifying inhibitors against other protein-protein interaction systems involving highly flexible binding sites, particularly for targets with less accumulated structural data.

Flipchip bonding of thin Si dies onto PET foils: Possibilities and applications

NARCIS (Netherlands)

Brand, J. van den; Kusters, R.H.L.; Cauwe, M.; Ende, D.A. van den; Erinc, M.

2011-01-01

Low cost large area flexible electronic products are expected to be used in a wide range of applications and in large quantities in our society. Examples of this include sensor packages added to food or conformal intelligent patches that monitor a patient's well-being. Because of their large area,

Conformational dynamics data bank: a database for conformational dynamics of proteins and supramolecular protein assemblies.

Science.gov (United States)

Kim, Do-Nyun; Altschuler, Josiah; Strong, Campbell; McGill, Gaël; Bathe, Mark

2011-01-01

The conformational dynamics data bank (CDDB, http://www.cdyn.org) is a database that aims to provide comprehensive results on the conformational dynamics of high molecular weight proteins and protein assemblies. Analysis is performed using a recently introduced coarse-grained computational approach that is applied to the majority of structures present in the electron microscopy data bank (EMDB). Results include equilibrium thermal fluctuations and elastic strain energy distributions that identify rigid versus flexible protein domains generally, as well as those associated with specific functional transitions, and correlations in molecular motions that identify molecular regions that are highly coupled dynamically, with implications for allosteric mechanisms. A practical web-based search interface enables users to easily collect conformational dynamics data in various formats. The data bank is maintained and updated automatically to include conformational dynamics results for new structural entries as they become available in the EMDB. The CDDB complements static structural information to facilitate the investigation and interpretation of the biological function of proteins and protein assemblies essential to cell function.

Ultrahigh-rate supercapacitors with large capacitance based on edge oriented graphene coated carbonized cellulous paper as flexible freestanding electrodes

Science.gov (United States)

Ren, Guofeng; Li, Shiqi; Fan, Zhao-Xia; Hoque, Md Nadim Ferdous; Fan, Zhaoyang

2016-09-01

Large-capacitance and ultrahigh-rate electrochemical supercapacitors (UECs) with frequency response up to kilohertz (kHz) range are reported using light, thin, and flexible freestanding electrodes. The electrode is formed by perpendicularly edge oriented multilayer graphene/thin-graphite (EOG) sheets grown radially around individual fibers in carbonized cellulous paper (CCP), with cellulous carbonization and EOG deposition implemented in one step. The resulted ∼10 μm thick EOG/CCP electrode is light and flexible. The oriented porous structure of EOG with large surface area, in conjunction with high conductivity of the electrode, ensures ultrahigh-rate performance of the fabricated cells, with large areal capacitance of 0.59 mF cm-2 and 0.53 mF cm-2 and large phase angle of -83° and -80° at 120 Hz and 1 kHz, respectively. Particularly, the hierarchical EOG/CCP sheet structure allows multiple sheets stacked together for thick electrodes with almost linearly increased areal capacitance while maintaining the volumetric capacitance nearly no degradation, a critical merit for developing practical faraday-scale UECs. 3-layers of EOG/CCP electrode achieved an areal capacitance of 1.5 mF cm-2 and 1.4 mF cm-2 at 120 Hz and 1 kHz, respectively. This demonstration moves a step closer to the goal of bridging the frequency/capacitance gap between supercapacitors and electrolytic capacitors.

Measurement and correlation of high frequency behaviors of a very flexible beam undergoing large deformation

International Nuclear Information System (INIS)

Lee, Jae Wook; Kim, Hyun Woo; Ku, Hi Chun; Yoo, Wan Suk

2009-01-01

A correlation method of high frequency behaviors of a very flexible beam undergoing large displacement is presented. The suggested method based on the experimental modal analysis leads to more accurate correlation results because it directly uses the modal parameters of each mode achieved from experiment. First, the modal testing and the parameter identification method are suggested for flexible multibody dynamics. Due to the flexibility of a very thin beam, traditional testing methods such as impact hammer or contact type accelerometer are not working well. The suggested measurement with high speed camera, even though the test beam is very flexible, is working well. Using measurements with a high speed camera, modal properties until the 5th mode are measured. And After measuring each damping ratio until the 5th mode, a generic damping model is constructed using inverse modal transformation technique. It's very interesting that the modal transformation technique can be also applied even in the ANCF simulation which uses the global displacement and finite slope as the nodal coordinates. The results of experiment and simulation are compared until the 5th mode frequency, respectively, by using ANCF forced vibration analysis. Through comparison between numerical simulation and experiment, this study showed that the proposed generic damping matrix, modal testing and parameter identification method is very proper in flexible multibody dynamic problems undergoing large deformation

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

Energy Technology Data Exchange (ETDEWEB)

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 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.

Research Update: Large-area deposition, coating, printing, and processing techniques for the upscaling of perovskite solar cell technology

Directory of Open Access Journals (Sweden)

Stefano Razza

2016-09-01

Full Text Available 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.

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

Directory of Open Access Journals (Sweden)

Lenin Domínguez-Ramírez

Full Text Available 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

Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol.

Science.gov (United States)

Cerezo, Javier; Aranda, Daniel; Avila Ferrer, Francisco J; Prampolini, Giacomo; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Santoro, Fabrizio

2018-06-01

We extend a recently proposed mixed quantum/classical method for computing the vibronic electronic circular dichroism (ECD) spectrum of molecules with different conformers, to cases where more than one hindered rotation is present. The method generalizes the standard procedure, based on the simple Boltzmann average of the vibronic spectra of the stable conformers, and includes the contribution of structures that sample all the accessible conformational space. It is applied to the simulation of the ECD spectrum of (S)-2,2,2-trifluoroanthrylethanol, a molecule with easily interconvertible conformers, whose spectrum exhibits a pattern of alternating positive and negative vibronic peaks. Results are in very good agreement with experiment and show that spectra averaged over all the sampled conformational space can deviate significantly from the simple average of the contributions of the stable conformers. The present mixed quantum/classical method is able to capture the effect of the nonlinear dependence of the rotatory strength on the molecular structure and of the anharmonic couplings among the modes responsible for molecular flexibility. Despite its computational cost, the procedure is still affordable and promises to be useful in all cases where the ECD shape arises from a subtle balance between vibronic effects and conformational variety. © 2018 Wiley Periodicals, Inc.

Nanomechanics of the substrate binding domain of Hsp70 determine its allosteric ATP-induced conformational change.

Science.gov (United States)

Mandal, Soumit Sankar; Merz, Dale R; Buchsteiner, Maximilian; Dima, Ruxandra I; Rief, Matthias; Žoldák, Gabriel

2017-06-06

Owing to the cooperativity of protein structures, it is often almost impossible to identify independent subunits, flexible regions, or hinges simply by visual inspection of static snapshots. Here, we use single-molecule force experiments and simulations to apply tension across the substrate binding domain (SBD) of heat shock protein 70 (Hsp70) to pinpoint mechanical units and flexible hinges. The SBD consists of two nanomechanical units matching 3D structural parts, called the α- and β-subdomain. We identified a flexible region within the rigid β-subdomain that gives way under load, thus opening up the α/β interface. In exactly this region, structural changes occur in the ATP-induced opening of Hsp70 to allow substrate exchange. Our results show that the SBD's ability to undergo large conformational changes is already encoded by passive mechanics of the individual elements.

Effects of Flexible Dry Electrode Design on Electrodermal Activity Stimulus Response Detection.

Science.gov (United States)

Haddad, Peter A; Servati, Amir; Soltanian, Saeid; Ko, Frank; Servati, Peyman

2017-12-01

The focus of this research is to evaluate the effects of design parameters including surface area, distance between and geometry of dry flexible electrodes on electrodermal activity (EDA) stimulus response detection. EDA is a result of the autonomic nervous system being stimulated, which causes sweat and changes the electrical characteristics of the skin. Standard silver/silver chloride (Ag/AgCl) EDA electrodes are rigid and lack conformability in contact with skin. In this study, flexible dry Ag/AgCl EDA electrodes were fabricated on a compliant substrate, used to monitor EDA stimulus responses and compared to results simultaneously collected by rigid dry Ag/AgCl electrodes. A repeatable fabrication process for flexible Ag/AgCl electrodes has been established. Surface area, distance between and geometry of electrodes are shown to affect the detectability of the EDA response and the minimum number of sweat glands to be covered by the electrodes has been estimated at 140, or more, in order to maintain functionality. The optimal flexible EDA electrode is a serpentine design with a 0.15 cm 2 surface area and a 0.20 cm distance with an average Pearson correlation coefficient of . Fabrication of flexible electrodes is described and an understanding of the effects of electrode designs on the EDA stimulus response detection has been established and is potentially related to the coverage of sweat glands. This work presents a novel systematic approach to understand the effects of electrode designs on monitoring EDA which is of importance for the design of wearable EDA monitoring devices.

Quantum Conformal Algebras and Closed Conformal Field Theory

CERN Document Server

Anselmi, D

1999-01-01

We investigate the quantum conformal algebras of N=2 and N=1 supersymmetric gauge theories. Phenomena occurring at strong coupling are analysed using the Nachtmann theorem and very general, model-independent, arguments. The results lead us to introduce a novel class of conformal field theories, identified by a closed quantum conformal algebra. We conjecture that they are the exact solution to the strongly coupled large-N_c limit of the open conformal field theories. We study the basic properties of closed conformal field theory and work out the operator product expansion of the conserved current multiplet T. The OPE structure is uniquely determined by two central charges, c and a. The multiplet T does not contain just the stress-tensor, but also R-currents and finite mass operators. For this reason, the ratio c/a is different from 1. On the other hand, an open algebra contains an infinite tower of non-conserved currents, organized in pairs and singlets with respect to renormalization mixing. T mixes with a se...

Large-scale conformational changes of Trypanosoma cruzi proline racemase predicted by accelerated molecular dynamics simulation.

Directory of Open Access Journals (Sweden)

César Augusto F de Oliveira

2011-10-01

Full Text Available Chagas' disease, caused by the protozoan parasite Trypanosoma cruzi (T. cruzi, is a life-threatening illness affecting 11-18 million people. Currently available treatments are limited, with unacceptable efficacy and safety profiles. Recent studies have revealed an essential T. cruzi proline racemase enzyme (TcPR as an attractive candidate for improved chemotherapeutic intervention. Conformational changes associated with substrate binding to TcPR are believed to expose critical residues that elicit a host mitogenic B-cell response, a process contributing to parasite persistence and immune system evasion. Characterization of the conformational states of TcPR requires access to long-time-scale motions that are currently inaccessible by standard molecular dynamics simulations. Here we describe advanced accelerated molecular dynamics that extend the effective simulation time and capture large-scale motions of functional relevance. Conservation and fragment mapping analyses identified potential conformational epitopes located in the vicinity of newly identified transient binding pockets. The newly identified open TcPR conformations revealed by this study along with knowledge of the closed to open interconversion mechanism advances our understanding of TcPR function. The results and the strategy adopted in this work constitute an important step toward the rationalization of the molecular basis behind the mitogenic B-cell response of TcPR and provide new insights for future structure-based drug discovery.

Molecular dynamics studies of the conformation of sorbitol

Science.gov (United States)

Lerbret, A.; Mason, P.E.; Venable, R.M.; Cesàro, A.; Saboungi, M.-L.; Pastor, R.W.; Brady, J.W.

2009-01-01

Molecular dynamics simulations of a 3 m aqueous solution of D-sorbitol (also called D-glucitol) have been performed at 300 K, as well as at two elevated temperatures to promote conformational transitions. In principle, sorbitol is more flexible than glucose since it does not contain a constraining ring. However, a conformational analysis revealed that the sorbitol chain remains extended in solution, in contrast to the bent conformation found experimentally in the crystalline form. While there are 243 staggered conformations of the backbone possible for this open-chain polyol, only a very limited number were found to be stable in the simulations. Although many conformers were briefly sampled, only eight were significantly populated in the simulation. The carbon backbones of all but two of these eight conformers were completely extended, unlike the bent crystal conformation. These extended conformers were stabilized by a quite persistent intramolecular hydrogen bond between the hydroxyl groups of carbon C-2 and C-4. The conformational populations were found to be in good agreement with the limited available NMR data except for the C-2–C-3 torsion (spanned by the O-2–O-4 hydrogen bond), where the NMR data supports a more bent structure. PMID:19744646

Polymer electronics a flexible technology

CERN Document Server

Technology, Rapra

2009-01-01

The worldwide market for polymer electronic products has been estimated to be worth up to £15 billion by 2015 and the opportunity for new markets could be as high as £125 billion by 2025.'The rapid development of polymer electronics has revealed the possibility for transforming the electronics market by offering lighter, flexible and more cost effective alternatives to conventional materials and products. With applications ranging from printed, flexible conductors and novel semiconductor components to intelligent labels and large area displays and solar panels, products that were previously un

An easy, low-cost method to transfer large-scale graphene onto polyethylene terephthalate as a transparent conductive flexible substrate

International Nuclear Information System (INIS)

Chen, Chih-Sheng; Hsieh, Chien-Kuo

2014-01-01

In this study, we develop a low-cost method for transferring a large-scale graphene film onto a flexible transparent substrate. An easily accessible method for home-made chemical vapor deposition (CVD) and a commercial photograph laminator were utilized to fabricate the low-cost graphene-based transparent conductive flexible substrate. The graphene was developed based on CVD growth on nickel foil using a carbon gas source, and the graphene thin film was easily transferred onto the laminating film via a heated photograph laminator. Field emission scanning electron microscopy and atomic force microscopy were utilized to examine the morphological characteristics of the graphene surface. Raman spectroscopy and transmission electron microscopy were utilized to examine the microstructure of the graphene. The optical–electronic properties of the transferred graphene flexible thin film were measured by ultraviolet–visible spectrometry and a four-point probe. The advantage of this method is that large-scale graphene-based thin films can be easily obtained. We provide an economical method for fabricating a graphene-based transparent conductive flexible substrate. - Highlight: • We synthesized the large-scale graphene by thermal CVD method. • A low-cost commercial photograph laminator was used to transfer graphene. • A large-scale transparent and flexible graphene substrate was obtained easily

An easy, low-cost method to transfer large-scale graphene onto polyethylene terephthalate as a transparent conductive flexible substrate

Energy Technology Data Exchange (ETDEWEB)

Chen, Chih-Sheng; Hsieh, Chien-Kuo, E-mail: jack_hsieh@mail.mcut.edu.tw

2014-11-03

In this study, we develop a low-cost method for transferring a large-scale graphene film onto a flexible transparent substrate. An easily accessible method for home-made chemical vapor deposition (CVD) and a commercial photograph laminator were utilized to fabricate the low-cost graphene-based transparent conductive flexible substrate. The graphene was developed based on CVD growth on nickel foil using a carbon gas source, and the graphene thin film was easily transferred onto the laminating film via a heated photograph laminator. Field emission scanning electron microscopy and atomic force microscopy were utilized to examine the morphological characteristics of the graphene surface. Raman spectroscopy and transmission electron microscopy were utilized to examine the microstructure of the graphene. The optical–electronic properties of the transferred graphene flexible thin film were measured by ultraviolet–visible spectrometry and a four-point probe. The advantage of this method is that large-scale graphene-based thin films can be easily obtained. We provide an economical method for fabricating a graphene-based transparent conductive flexible substrate. - Highlight: • We synthesized the large-scale graphene by thermal CVD method. • A low-cost commercial photograph laminator was used to transfer graphene. • A large-scale transparent and flexible graphene substrate was obtained easily.

Stability Result For Dynamic Inversion Devised to Control Large Flexible Aircraft

Science.gov (United States)

Gregory, Irene M.

2001-01-01

High performance aircraft of the future will be designed lighter, more maneuverable, and operate over an ever expanding flight envelope. One of the largest differences from the flight control perspective between current and future advanced aircraft is elasticity. Over the last decade, dynamic inversion methodology has gained considerable popularity in application to highly maneuverable fighter aircraft, which were treated as rigid vehicles. This paper is an initial attempt to establish global stability results for dynamic inversion methodology as applied to a large, flexible aircraft. This work builds on a previous result for rigid fighter aircraft and adds a new level of complexity that is the flexible aircraft dynamics, which cannot be ignored even in the most basic flight control. The results arise from observations of the control laws designed for a new generation of the High-Speed Civil Transport aircraft.

A method of analyzing rectal surface area irradiated and rectal complications in prostate conformal radiotherapy

International Nuclear Information System (INIS)

Lu Yong; Song, Paul Y.; Li Shidong; Spelbring, Danny R.; Vijayakumar, Srinivasan; Haraf, Daniel J.; Chen, George T.Y.

1995-01-01

Purpose: To develop a method of analyzing rectal surface area irradiated and rectal complications in prostate conformal radiotherapy. Methods and Materials: Dose-surface histograms of the rectum, which state the rectal surface area irradiated to any given dose, were calculated for a group of 27 patients treated with a four-field box technique to a total (tumor minimum) dose ranging from 68 to 70 Gy. Occurrences of rectal toxicities as defined by the Radiation Therapy Oncology Group (RTOG) were recorded and examined in terms of dose and rectal surface area irradiated. For a specified end point of rectal complication, the complication probability was analyzed as a function of dose irradiated to a fixed rectal area, and as a function of area receiving a fixed dose. Lyman's model of normal tissue complication probability (NTCP) was used to fit the data. Results: The observed occurrences of rectal complications appear to depend on the rectal surface area irradiated to a given dose level. The patient distribution of each toxicity grade exhibits a maximum as a function of percentage surface area irradiated, and the maximum moves to higher values of percentage surface area as the toxicity grade increases. The dependence of the NTCP for the specified end point on dose and percentage surface area irradiated was fitted to Lyman's NTCP model with a set of parameters. The curvature of the NTCP as a function of the surface area suggests that the rectum is a parallel structured organ. Conclusions: The described method of analyzing rectal surface area irradiated yields interesting insight into understanding rectal complications in prostate conformal radiotherapy. Application of the method to a larger patient data set has the potential to facilitate the construction of a full dose-surface-complication relationship, which would be most useful in guiding clinical practice

A round robin study of flexible large-area roll-to-roll processed polymer solar cell modules

DEFF Research Database (Denmark)

Gevorgyan, Suren

2010-01-01

by transportation to a participating laboratory for performance measurement and return to the starting location (Risø DTU) for re-measurement of the performance. It was found possible to package polymer solar-cell modules using a flexible plastic barrier material in such a manner that degradation of the devices...

Flexible biochips for detection of biomolecules

NARCIS (Netherlands)

Peter, M.; Schüler, T.; Furthner, F.; Rensing, P.A.; Heck, G.T. van; Schoo, H.F.M.; Möllier, R.; Fritzsche, W.; Breemen, A.J.J.M. van; Meinders, E.R.

2009-01-01

Miniaturization of biosensors is envisaged by the development of biochips consisting of parallel microarray patterns of binding sites on rigid substrates, such as glass or silicon. Thin plastic substrates are promising flexible alternatives because of the possibility for large-area roll-to-roll

Preliminary results on the dynamics of large and flexible space structures in Halo orbits

Science.gov (United States)

Colagrossi, Andrea; Lavagna, Michèle

2017-05-01

The global exploration roadmap suggests, among other ambitious future space programmes, a possible manned outpost in lunar vicinity, to support surface operations and further astronaut training for longer and deeper space missions and transfers. In particular, a Lagrangian point orbit location - in the Earth- Moon system - is suggested for a manned cis-lunar infrastructure; proposal which opens an interesting field of study from the astrodynamics perspective. Literature offers a wide set of scientific research done on orbital dynamics under the Three-Body Problem modelling approach, while less of it includes the attitude dynamics modelling as well. However, whenever a large space structure (ISS-like) is considered, not only the coupled orbit-attitude dynamics should be modelled to run more accurate analyses, but the structural flexibility should be included too. The paper, starting from the well-known Circular Restricted Three-Body Problem formulation, presents some preliminary results obtained by adding a coupled orbit-attitude dynamical model and the effects due to the large structure flexibility. In addition, the most relevant perturbing phenomena, such as the Solar Radiation Pressure (SRP) and the fourth-body (Sun) gravity, are included in the model as well. A multi-body approach has been preferred to represent possible configurations of the large cis-lunar infrastructure: interconnected simple structural elements - such as beams, rods or lumped masses linked by springs - build up the space segment. To better investigate the relevance of the flexibility effects, the lumped parameters approach is compared with a distributed parameters semi-analytical technique. A sensitivity analysis of system dynamics, with respect to different configurations and mechanical properties of the extended structure, is also presented, in order to highlight drivers for the lunar outpost design. Furthermore, a case study for a large and flexible space structure in Halo orbits around

The large terminase DNA packaging motor grips DNA with its ATPase domain for cleavage by the flexible nuclease domain

Science.gov (United States)

Hilbert, Brendan J.; Hayes, Janelle A.; Stone, Nicholas P.; Xu, Rui-Gang

2017-01-01

Abstract Many viruses use a powerful terminase motor to pump their genome inside an empty procapsid shell during virus maturation. The large terminase (TerL) protein contains both enzymatic activities necessary for packaging in such viruses: the adenosine triphosphatase (ATPase) that powers DNA translocation and an endonuclease that cleaves the concatemeric genome at both initiation and completion of genome packaging. However, how TerL binds DNA during translocation and cleavage remains mysterious. Here we investigate DNA binding and cleavage using TerL from the thermophilic phage P74-26. We report the structure of the P74-26 TerL nuclease domain, which allows us to model DNA binding in the nuclease active site. We screened a large panel of TerL variants for defects in binding and DNA cleavage, revealing that the ATPase domain is the primary site for DNA binding, and is required for nuclease activity. The nuclease domain is dispensable for DNA binding but residues lining the active site guide DNA for cleavage. Kinetic analysis of DNA cleavage suggests flexible tethering of the nuclease domains during DNA cleavage. We propose that interactions with the procapsid during DNA translocation conformationally restrict the nuclease domain, inhibiting cleavage; TerL release from the capsid upon completion of packaging unlocks the nuclease domains to cleave DNA. PMID:28082398

Holographic description of 2D conformal block in semi-classical limit

Energy Technology Data Exchange (ETDEWEB)

Chen, Bin [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter,5 Yiheyuan Rd, Beijing 100871 (China); Center for High Energy Physics, Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Wu, Jie-qiang [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Zhang, Jia-ju [Theoretical Physics Division, Institute of High Energy Physics,Chinese Academy of Sciences, 19B Yuquan Rd, Beijing 100049 (China); Theoretical Physics Center for Science Facilities, Chinese Academy of Sciences,19B Yuquan Rd, Beijing 100049 (China)

2016-10-20

In this paper, we study the holographic descriptions of the conformal block of heavy operators in two-dimensional large c conformal field theory. We consider the case that the operators are pairwise inserted such that the distance between the operators in a pair is much smaller than the others. In this case, each pair of heavy operators creates a conical defect in the bulk. We propose that the conformal block is dual to the on-shell action of three dimensional geometry with conical defects in the semi-classical limit. We show that the variation of the on-shell action with respect to the conical angle is equal to the length of the corresponding conical defect. We derive this differential relation on the conformal block in the field theory by introducing two extra light operators as both the probe and the perturbation. Our study also suggests that the area law of the holographic Rényi entropy must holds for a large class of states generated by a finite number of heavy operators insertion.

IR-IR Conformation Specific Spectroscopy of Na+(Glucose) Adducts

Science.gov (United States)

Voss, Jonathan M.; Kregel, Steven J.; Fischer, Kaitlyn C.; Garand, Etienne

2018-01-01

We report an IR-IR double resonance study of the structural landscape present in the Na+(glucose) complex. Our experimental approach involves minimal modifications to a typical IR predissociation setup, and can be carried out via ion-dip or isomer-burning methods, providing additional flexibility to suit different experimental needs. In the current study, the single-laser IR predissociation spectrum of Na+(glucose), which clearly indicates contributions from multiple structures, was experimentally disentangled to reveal the presence of three α-conformers and five β-conformers. Comparisons with calculations show that these eight conformations correspond to the lowest energy gas-phase structures with distinctive Na+ coordination. [Figure not available: see fulltext.

New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.

Directory of Open Access Journals (Sweden)

Hugo de Almeida

Full Text Available Dengue fever is caused by four distinct serotypes of the dengue virus (DENV1-4, and is estimated to affect over 500 million people every year. Presently, there are no vaccines or antiviral treatments for this disease. Among the possible targets to fight dengue fever is the viral NS3 protease (NS3PRO, which is in part responsible for viral processing and replication. It is now widely recognized that virtual screening campaigns should consider the flexibility of target protein by using multiple active conformational states. The flexibility of the DENV NS3PRO could explain the relatively low success of previous virtual screening studies. In this first work, we explore the DENV NS3PRO conformational states obtained from molecular dynamics (MD simulations to take into account protease flexibility during the virtual screening/docking process. To do so, we built a full NS3PRO model by multiple template homology modeling. The model comprised the NS2B cofactor (essential to the NS3PRO activation, a glycine flexible link and the proteolytic domain. MD simulations had the purpose to sample, as closely as possible, the ligand binding site conformational landscape prior to inhibitor binding. The obtained conformational MD sample was clustered into four families that, together with principal component analysis of the trajectory, demonstrated protein flexibility. These results allowed the description of multiple binding modes for the Bz-Nle-Lys-Arg-Arg-H inhibitor, as verified by binding plots and pair interaction analysis. This study allowed us to tackle protein flexibility in our virtual screening campaign against the dengue virus NS3 protease.

A large scale flexible real-time communications topology for the LHC accelerator

CERN Document Server

Lauckner, R J; Ribeiro, P; Wijnands, Thijs

1999-01-01

The LHC design parameters impose very stringent beam control requirements in order to reach the nominal performance. Prompted by the lack of accurate models to predict field behaviour in superconducting magnet systems the control system of the accelerator will provide flexible feedback channels between monitors and magnets around the 27 Km circumference machine. The implementation of feedback systems composed of a large number of sparsely located elements presents some interesting challenges. Our goal was to find a topology where the control loop requirements: number and distribution of nodes, latency and throughput could be guaranteed without compromising the flexibility. Our proposal is to federate a number of well known technologies and concepts, namely ATM, WorldFIP and RTOS, into a general framework. (6 refs).

In-depth analysis of subclass-specific conformational preferences of IgG antibodies

DEFF Research Database (Denmark)

Tian, Xinsheng; Vestergaard, Bente; Thorolfsson, Matthias

2015-01-01

IgG subclass-specific differences in biological function and in vitro stability are often referred to variations in the conformational flexibility, while this flexibility has rarely been characterized. Here, small-angle X-ray scattering data from IgG1, IgG2 and IgG4 antibodies, which were designe...... properties and tailored effector functions. In addition, this advanced computational approach is applicable to other flexible multi-domain systems and extends the potential for investigating flexibility in solutions of macromolecules by small-angle X-ray scattering....

Universal spectrum of 2d conformal field theory in the large c limit

OpenAIRE

Thomas HartmanKavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106-4030, U.S.A.; Christoph A. Keller(NHETC, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019, U.S.A.); Bogdan Stoica(Walter Burke Institute for Theoretical Physics, California Institute of Technology, 452-48, Pasadena, CA 91125, U.S.A.)

2014-01-01

Two-dimensional conformal field theories exhibit a universal free energy in the high temperature limit $T \\to \\infty$, and a universal spectrum in the Cardy regime, $\\Delta \\to \\infty$. We show that a much stronger form of universality holds in theories with a large central charge $c$ and a sparse light spectrum. In these theories, the free energy is universal at all values of the temperature, and the microscopic spectrum matches the Cardy entropy for all $\\Delta \\geq c/6$. The same is true o...

The role of printing techniques for large-area dye sensitized solar cells

International Nuclear Information System (INIS)

Mariani, Paolo; Vesce, Luigi; Di Carlo, Aldo

2015-01-01

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. (paper)

The role of printing techniques for large-area dye sensitized solar cells

Science.gov (United States)

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.

Computational investigation of large-scale vortex interaction with flexible bodies

Science.gov (United States)

Connell, Benjamin; Yue, Dick K. P.

2003-11-01

The interaction of large-scale vortices with flexible bodies is examined with particular interest paid to the energy and momentum budgets of the system. Finite difference direct numerical simulation of the Navier-Stokes equations on a moving curvilinear grid is coupled with a finite difference structural solver of both a linear membrane under tension and linear Euler-Bernoulli beam. The hydrodynamics and structural dynamics are solved simultaneously using an iterative procedure with the external structural forcing calculated from the hydrodynamics at the surface and the flow-field velocity boundary condition given by the structural motion. We focus on an investigation into the canonical problem of a vortex-dipole impinging on a flexible membrane. It is discovered that the structural properties of the membrane direct the interaction in terms of the flow evolution and the energy budget. Pressure gradients associated with resonant membrane response are shown to sustain the oscillatory motion of the vortex pair. Understanding how the key mechanisms in vortex-body interactions are guided by the structural properties of the body is a prerequisite to exploiting these mechanisms.

Large area damage testing of optics

International Nuclear Information System (INIS)

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

1996-01-01

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 thresholdclose 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

Nonperturbative results for two-index conformal windows

Energy Technology Data Exchange (ETDEWEB)

Bergner, Georg [Albert Einstein Center for Fundamental Physics,Institute for Theoretical Physics, University of Bern,Sidlerstrasse 5, CH-3012 Bern (Switzerland); Ryttov, Thomas A.; Sannino, Francesco [CP-Origins and the Danish IAS, University of Southern Denmark,5230 Odense M (Denmark)

2015-12-10

Via large and small N{sub c} relations we derive nonperturbative results about the conformal window of two-index theories. Using Schwinger-Dyson methods as well as four-loops results we estimate subleading corrections and show that naive large number of colors extrapolations are unreliable when N{sub c} is less than about six. Nevertheless useful nonperturbative inequalities for the size of the conformal windows, for any number of colors, can be derived. By further observing that the adjoint conformal window is independent of the number of colors we argue, among other things, that: the large N{sub c} two-index conformal window is twice the conformal window of the adjoint representation (which can be determined at small N{sub c}) expressed in terms of Dirac fermions; lattice results for adjoint matter can be used to provide independent information on the conformal dynamics of two-index theories such as SU(N{sub c}) with two and four symmetric Dirac flavors.

Nonperturbative results for two-index conformal windows

International Nuclear Information System (INIS)

Bergner, Georg; Ryttov, Thomas A.; Sannino, Francesco

2015-01-01

Via large and small N c relations we derive nonperturbative results about the conformal window of two-index theories. Using Schwinger-Dyson methods as well as four-loops results we estimate subleading corrections and show that naive large number of colors extrapolations are unreliable when N c is less than about six. Nevertheless useful nonperturbative inequalities for the size of the conformal windows, for any number of colors, can be derived. By further observing that the adjoint conformal window is independent of the number of colors we argue, among other things, that: the large N c two-index conformal window is twice the conformal window of the adjoint representation (which can be determined at small N c ) expressed in terms of Dirac fermions; lattice results for adjoint matter can be used to provide independent information on the conformal dynamics of two-index theories such as SU(N c ) with two and four symmetric Dirac flavors.

Conformal coating of amorphous silicon and germanium by high pressure chemical vapor deposition for photovoltaic fabrics

Science.gov (United States)

Ji, Xiaoyu; Cheng, Hiu Yan; Grede, Alex J.; Molina, Alex; Talreja, Disha; Mohney, Suzanne E.; Giebink, Noel C.; Badding, John V.; Gopalan, Venkatraman

2018-04-01

Conformally coating textured, high surface area substrates with high quality semiconductors is challenging. Here, we show that a high pressure chemical vapor deposition process can be employed to conformally coat the individual fibers of several types of flexible fabrics (cotton, carbon, steel) with electronically or optoelectronically active materials. The high pressure (˜30 MPa) significantly increases the deposition rate at low temperatures. As a result, it becomes possible to deposit technologically important hydrogenated amorphous silicon (a-Si:H) from silane by a simple and very practical pyrolysis process without the use of plasma, photochemical, hot-wire, or other forms of activation. By confining gas phase reactions in microscale reactors, we show that the formation of undesired particles is inhibited within the microscale spaces between the individual wires in the fabric structures. Such a conformal coating approach enables the direct fabrication of hydrogenated amorphous silicon-based Schottky junction devices on a stainless steel fabric functioning as a solar fabric.

Manufacturing and metrology for IR conformal windows and domes

Science.gov (United States)

Ferralli, Ian; Blalock, Todd; Brunelle, Matt; Lynch, Timothy; Myer, Brian; Medicus, Kate

2017-05-01

Freeform and conformal optics have the potential to dramatically improve optical systems by enabling systems with fewer optical components, reduced aberrations, and improved aerodynamic performance. These optical components differ from standard components in their surface shape, typically a non-symmetric equation based definition, and material properties. Traditional grinding and polishing tools are unable to handle these freeform shapes. Additionally, standard metrology tools cannot measure these surfaces. Desired substrates are typically hard ceramics, including poly-crystalline alumina or aluminum oxynitride. Notwithstanding the challenges that the hardness provides to manufacturing, these crystalline materials can be highly susceptible to grain decoration creating unacceptable scatter in optical systems. In this presentation, we will show progress towards addressing the unique challenges of manufacturing conformal windows and domes. Particular attention is given to our robotic polishing platform. This platform is based on an industrial robot adapted to accept a wide range of tooling and parts. The robot's flexibility has provided us an opportunity to address the unique challenges of conformal windows. Slurries and polishing active layers can easily be changed to adapt to varying materials and address grain decoration. We have the flexibility to change tool size and shape to address the varying sizes and shapes of conformal optics. In addition, the robotic platform can be a base for a deflectometry-based metrology tool to measure surface form error. This system, whose precision is independent of the robot's positioning accuracy, will allow us to measure optics in-situ saving time and reducing part risk. In conclusion, we will show examples of the conformal windows manufactured using our developed processes.

On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein

International Nuclear Information System (INIS)

Grosso, Marcos; Kalstein, Adrian; Parisi, Gustavo; Fernandez-Alberti, Sebastian; Roitberg, Adrian E.

2015-01-01

The native state of a protein consists of an equilibrium of conformational states on an energy landscape rather than existing as a single static state. The co-existence of conformers with different ligand-affinities in a dynamical equilibrium is the basis for the conformational selection model for ligand binding. In this context, the development of theoretical methods that allow us to analyze not only the structural changes but also changes in the fluctuation patterns between conformers will contribute to elucidate the differential properties acquired upon ligand binding. Molecular dynamics simulations can provide the required information to explore these features. Its use in combination with subsequent essential dynamics analysis allows separating large concerted conformational rearrangements from irrelevant fluctuations. We present a novel procedure to define the size and composition of essential dynamics subspaces associated with ligand-bound and ligand-free conformations. These definitions allow us to compare essential dynamics subspaces between different conformers. Our procedure attempts to emphasize the main similarities and differences between the different essential dynamics in an unbiased way. Essential dynamics subspaces associated to conformational transitions can also be analyzed. As a test case, we study the glutaminase interacting protein (GIP), composed of a single PDZ domain. Both GIP ligand-free state and glutaminase L peptide-bound states are analyzed. Our findings concerning the relative changes in the flexibility pattern upon binding are in good agreement with experimental Nuclear Magnetic Resonance data

On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein

Energy Technology Data Exchange (ETDEWEB)

Grosso, Marcos; Kalstein, Adrian; Parisi, Gustavo; Fernandez-Alberti, Sebastian, E-mail: sfalberti@gmail.com [Universidad Nacional de Quilmes, Roque Saenz Peña 352, B1876BXD Bernal (Argentina); Roitberg, Adrian E. [Departments of Physics and Chemistry, University of Florida, Gainesville, Florida 32611 (United States)

2015-06-28

The native state of a protein consists of an equilibrium of conformational states on an energy landscape rather than existing as a single static state. The co-existence of conformers with different ligand-affinities in a dynamical equilibrium is the basis for the conformational selection model for ligand binding. In this context, the development of theoretical methods that allow us to analyze not only the structural changes but also changes in the fluctuation patterns between conformers will contribute to elucidate the differential properties acquired upon ligand binding. Molecular dynamics simulations can provide the required information to explore these features. Its use in combination with subsequent essential dynamics analysis allows separating large concerted conformational rearrangements from irrelevant fluctuations. We present a novel procedure to define the size and composition of essential dynamics subspaces associated with ligand-bound and ligand-free conformations. These definitions allow us to compare essential dynamics subspaces between different conformers. Our procedure attempts to emphasize the main similarities and differences between the different essential dynamics in an unbiased way. Essential dynamics subspaces associated to conformational transitions can also be analyzed. As a test case, we study the glutaminase interacting protein (GIP), composed of a single PDZ domain. Both GIP ligand-free state and glutaminase L peptide-bound states are analyzed. Our findings concerning the relative changes in the flexibility pattern upon binding are in good agreement with experimental Nuclear Magnetic Resonance data.

Optimal hypofractionated conformal radiotherapy for large brain metastases in patients with high risk factors: a single-institutional prospective study

International Nuclear Information System (INIS)

Inoue, Hiroshi K; Sato, Hiro; Suzuki, Yoshiyuki; Saitoh, Jun-ichi; Noda, Shin-ei; Seto, Ken-ichi; Torikai, Kota; Sakurai, Hideyuki; Nakano, Takashi

2014-01-01

A single-institutional prospective study of optimal hypofractionated conformal radiotherapy for large brain metastases with high risk factors was performed based on the risk prediction of radiation-related complications. Eighty-eight patients with large brain metastases ≥10 cm 3 in critical areas treated from January 2010 to February 2014 using the CyberKnife were evaluated. The optimal dose and number of fractions were determined based on the surrounding brain volume circumscribed with a single dose equivalent (SDE) of 14 Gy (V14) to be less than 7 cm 3 for individual lesions. Univariate and multivariate analyses were conducted. As a result of optimal treatment, 92 tumors ranging from 10 to 74.6 cm 3 (median, 16.2 cm 3 ) in volume were treated with a median prescribed isodose of 57% and a median fraction number of five. In order to compare the results according to the tumor volume, the tumors were divided into the following three groups: 1) 10–19.9 cm 3 , 2) 20–29.9 cm 3 and 3) ≥30 cm 3 . The lesions were treated with a median prescribed isodose of 57%, 56% and 55%, respectively, and the median fraction number was five in all three groups. However, all tumors ≥20 cm 3 were treated with ≥ five fractions. The median SDE of the maximum dose in the three groups was 47.2 Gy, 48.5 Gy and 46.5 Gy, respectively. Local tumor control was obtained in 90.2% of the patients, and the median survival was nine months, with a median follow-up period of seven months (range, 3-41 months). There were no significant differences in the survival rates among the three groups. Six tumors exhibited marginal recurrence 7-36 months after treatment. Ten patients developed symptomatic brain edema or recurrence of pre-existing edema, seven of whom required osmo-steroid therapy. No patients developed radiation necrosis requiring surgical resection. Our findings demonstrate that the administration of optimal hypofractionated conformal radiotherapy based on the dose-volume prediction

In-depth analysis of subclass-specific conformational preferences of IgG antibodies

Directory of Open Access Journals (Sweden)

Xinsheng Tian

2015-01-01

Full Text Available IgG subclass-specific differences in biological function and in vitro stability are often referred to variations in the conformational flexibility, while this flexibility has rarely been characterized. Here, small-angle X-ray scattering data from IgG1, IgG2 and IgG4 antibodies, which were designed with identical variable regions, were thoroughly analysed by the ensemble optimization method. The extended analysis of the optimized ensembles through shape clustering reveals distinct subclass-specific conformational preferences, which provide new insights for understanding the variations in physical/chemical stability and biological function of therapeutic antibodies. Importantly, the way that specific differences in the linker region correlate with the solution structure of intact antibodies is revealed, thereby visualizing future potential for the rational design of antibodies with designated physicochemical properties and tailored effector functions. In addition, this advanced computational approach is applicable to other flexible multi-domain systems and extends the potential for investigating flexibility in solutions of macromolecules by small-angle X-ray scattering.

Inkjet printing as a roll-to-roll compatible technology for the production of large area electronic devices on a pre-industrial scale

NARCIS (Netherlands)

Teunissen, P.; Rubingh, E.; Lammeren, T. van; Abbel, R.J.; Groen, P.

2014-01-01

Inkjet printing is a promising approach towards the solution processing of electronic devices on an industrial scale. Of particular interest is the production of high-end applications such as large area OLEDs on flexible substrates. Roll-to-roll (R2R) processing technologies involving inkjet

Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamics.

Directory of Open Access Journals (Sweden)

Denis Bucher

2011-04-01

Full Text Available Periplasmic binding proteins (PBPs are a large family of molecular transporters that play a key role in nutrient uptake and chemotaxis in Gram-negative bacteria. All PBPs have characteristic two-domain architecture with a central interdomain ligand-binding cleft. Upon binding to their respective ligands, PBPs undergo a large conformational change that effectively closes the binding cleft. This conformational change is traditionally viewed as a ligand induced-fit process; however, the intrinsic dynamics of the protein may also be crucial for ligand recognition. Recent NMR paramagnetic relaxation enhancement (PRE experiments have shown that the maltose binding protein (MBP - a prototypical member of the PBP superfamily - exists in a rapidly exchanging (ns to µs regime mixture comprising an open state (approx 95%, and a minor partially closed state (approx 5%. Here we describe accelerated MD simulations that provide a detailed picture of the transition between the open and partially closed states, and confirm the existence of a dynamical equilibrium between these two states in apo MBP. We find that a flexible part of the protein called the balancing interface motif (residues 175-184 is displaced during the transformation. Continuum electrostatic calculations indicate that the repacking of non-polar residues near the hinge region plays an important role in driving the conformational change. Oscillations between open and partially closed states create variations in the shape and size of the binding site. The study provides a detailed description of the conformational space available to ligand-free MBP, and has implications for understanding ligand recognition and allostery in related proteins.

Conformance Testing: Measurement Decision Rules

Science.gov (United States)

Mimbs, Scott M.

2010-01-01

The goal of a Quality Management System (QMS) as specified in ISO 9001 and AS9100 is to provide assurance to the customer that end products meet specifications. Measuring devices, often called measuring and test equipment (MTE), are used to provide the evidence of product conformity to specified requirements. Unfortunately, processes that employ MTE can become a weak link to the overall QMS if proper attention is not given to the measurement process design, capability, and implementation. Documented "decision rules" establish the requirements to ensure measurement processes provide the measurement data that supports the needs of the QMS. Measurement data are used to make the decisions that impact all areas of technology. Whether measurements support research, design, production, or maintenance, ensuring the data supports the decision is crucial. Measurement data quality can be critical to the resulting consequences of measurement-based decisions. Historically, most industries required simplistic, one-size-fits-all decision rules for measurements. One-size-fits-all rules in some cases are not rigorous enough to provide adequate measurement results, while in other cases are overly conservative and too costly to implement. Ideally, decision rules should be rigorous enough to match the criticality of the parameter being measured, while being flexible enough to be cost effective. The goal of a decision rule is to ensure that measurement processes provide data with a sufficient level of quality to support the decisions being made - no more, no less. This paper discusses the basic concepts of providing measurement-based evidence that end products meet specifications. Although relevant to all measurement-based conformance tests, the target audience is the MTE end-user, which is anyone using MTE other than calibration service providers. Topics include measurement fundamentals, the associated decision risks, verifying conformance to specifications, and basic measurement

Conformational plasticity of the Ebola virus matrix protein.

Science.gov (United States)

Radzimanowski, Jens; Effantin, Gregory; Weissenhorn, Winfried

2014-11-01

Filoviruses are the causative agents of a severe and often fatal hemorrhagic fever with repeated outbreaks in Africa. They are negative sense single stranded enveloped viruses that can cross species barriers from its natural host bats to primates including humans. The small size of the genome poses limits to viral adaption, which may be partially overcome by conformational plasticity. Here we review the different conformational states of the Ebola virus (EBOV) matrix protein VP40 that range from monomers, to dimers, hexamers, and RNA-bound octamers. This conformational plasticity that is required for the viral life cycle poses a unique opportunity for development of VP40 specific drugs. Furthermore, we compare the structure to homologous matrix protein structures from Paramyxoviruses and Bornaviruses and we predict that they do not only share the fold but also the conformational flexibility of EBOV VP40. © 2014 The Protein Society.

Enhancing Performance of Large-Area Organic Solar Cells with Thick Film via Ternary Strategy.

Science.gov (United States)

Zhang, Jianqi; Zhao, Yifan; Fang, Jin; Yuan, Liu; Xia, Benzheng; Wang, Guodong; Wang, Zaiyu; Zhang, Yajie; Ma, Wei; Yan, Wei; Su, Wenming; Wei, Zhixiang

2017-06-01

Large-scale fabrication of organic solar cells requires an active layer with high thickness tolerability and the use of environment-friendly solvents. Thick films with high-performance can be achieved via a ternary strategy studied herein. The ternary system consists of one polymer donor, one small molecule donor, and one fullerene acceptor. The small molecule enhances the crystallinity and face-on orientation of the active layer, leading to improved thickness tolerability compared with that of a polymer-fullerene binary system. An active layer with 270 nm thickness exhibits an average power conversion efficiency (PCE) of 10.78%, while the PCE is less than 8% with such thick film for binary system. Furthermore, large-area devices are successfully fabricated using polyethylene terephthalate (PET)/Silver gride or indium tin oxide (ITO)-based transparent flexible substrates. The product shows a high PCE of 8.28% with an area of 1.25 cm 2 for a single cell and 5.18% for a 20 cm 2 module. This study demonstrates that ternary organic solar cells exhibit great potential for large-scale fabrication and future applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Conformational transitions of a weak polyampholyte

KAUST Repository

Nair, Arun Kumar Narayanan

2014-10-07

Using grand canonical Monte Carlo simulations of a flexible polyelectrolyte where the charges are in contact with a reservoir of constant chemical potential given by the solution pH, we study the behavior of weak polyelectrolytes in poor and good solvent conditions for polymer backbone. We address the titration behavior and conformational properties of a flexible diblock polyampholyte chain formed of two oppositely charged weak polyelectrolyte blocks, each containing equal number of identical monomers. The change of solution pH induces charge asymmetry in a diblock polyampholyte. For diblock polyampholyte chains in poor solvents, we demonstrate that a discontinuous transition between extended (tadpole) and collapsed (globular) conformational states is attainable by varying the solution pH. The double-minima structure in the probability distribution of the free energy provides direct evidence for the first-order like nature of this transition. At the isoelectric point electrostatically driven coil-globule transition of diblock polyampholytes in good solvents is found to consist of different regimes identified with increasing electrostatic interaction strength. At pH values above or below the isoelectric point diblock chains are found to have polyelectrolyte-like behavior due to repulsion between uncompensated charges along the chain.

Conformational transitions of a weak polyampholyte

KAUST Repository

Nair, Arun Kumar Narayanan; Uyaver, Sahin; Sun, Shuyu

2014-01-01

Using grand canonical Monte Carlo simulations of a flexible polyelectrolyte where the charges are in contact with a reservoir of constant chemical potential given by the solution pH, we study the behavior of weak polyelectrolytes in poor and good solvent conditions for polymer backbone. We address the titration behavior and conformational properties of a flexible diblock polyampholyte chain formed of two oppositely charged weak polyelectrolyte blocks, each containing equal number of identical monomers. The change of solution pH induces charge asymmetry in a diblock polyampholyte. For diblock polyampholyte chains in poor solvents, we demonstrate that a discontinuous transition between extended (tadpole) and collapsed (globular) conformational states is attainable by varying the solution pH. The double-minima structure in the probability distribution of the free energy provides direct evidence for the first-order like nature of this transition. At the isoelectric point electrostatically driven coil-globule transition of diblock polyampholytes in good solvents is found to consist of different regimes identified with increasing electrostatic interaction strength. At pH values above or below the isoelectric point diblock chains are found to have polyelectrolyte-like behavior due to repulsion between uncompensated charges along the chain.

Efficient transfer of large-area graphene films onto rigid substrates by hot pressing.

Science.gov (United States)

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.

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

DEFF Research Database (Denmark)

Sandstrom, Andreas; Dam, Henrik Friis; Krebs, Frederik C

2012-01-01

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-mu m-thick active material that is doped in situ during operation. It is notable...

General Conformity

Science.gov (United States)

The General Conformity requirements ensure that the actions taken by federal agencies in nonattainment and maintenance areas do not interfere with a state’s plans to meet national standards for air quality.

Ward identities for conformal models

International Nuclear Information System (INIS)

Lazzarini, S.; Stora, R.

1988-01-01

Ward identities which express the symmetry of conformal models are treated. Diffeomorphism invariance or locally holomorphic coordinate transformations are used. Diffeomorphism invariance is then understood in terms of Riemannian geometry. Two different sets of Ward identities expressing diffeomorphism invariance in a conformally invariant way are found for the free bosonic string. Using a geometrical argument, the correct invariance for a large class of conformal models is given

Probing the Mechanism of pH-Induced Large-Scale Conformational Changes in Dengue Virus Envelope Protein Using Atomistic Simulations

Science.gov (United States)

Prakash, Meher K.; Barducci, Alessandro; Parrinello, Michele

2010-01-01

Abstract One of the key steps in the infection of the cell by dengue virus is a pH-induced conformational change of the viral envelope proteins. These envelope proteins undergo a rearrangement from a dimer to a trimer, with large conformational changes in the monomeric unit. In this article, metadynamics simulations were used to enable us to understand the mechanism of these large-scale changes in the monomer. By using all-atom, explicit solvent simulations of the monomers, the stability of the protein structure is studied under low and high pH conditions. Free energy profiles obtained along appropriate collective coordinates demonstrate that pH affects the domain interface in both the conformations of E monomer, stabilizing one and destabilizing the other. These simulations suggest a mechanism with an intermediate detached state between the two monomeric structures. Using further analysis, we comment on the key residue interactions responsible for the instability and the pH-sensing role of a histidine that could not otherwise be studied experimentally. The insights gained from this study and methodology can be extended for studying similar mechanisms in the E proteins of the other members of class II flavivirus family. PMID:20643078

Conformational analysis of oligosaccharides and polysaccharides using molecular dynamics simulations.

Science.gov (United States)

Frank, Martin

2015-01-01

Complex carbohydrates usually have a large number of rotatable bonds and consequently a large number of theoretically possible conformations can be generated (combinatorial explosion). The application of systematic search methods for conformational analysis of carbohydrates is therefore limited to disaccharides and trisaccharides in a routine analysis. An alternative approach is to use Monte-Carlo methods or (high-temperature) molecular dynamics (MD) simulations to explore the conformational space of complex carbohydrates. This chapter describes how to use MD simulation data to perform a conformational analysis (conformational maps, hydrogen bonds) of oligosaccharides and how to build realistic 3D structures of large polysaccharides using Conformational Analysis Tools (CAT).

Ultra-flexible lithium ion batteries fabricated by electrodeposition and solvothermal synthesis

International Nuclear Information System (INIS)

Wang, Jian; Zhang, Lei; Zhou, Qingwen; Wu, Wenlu; Zhu, Chao; Liu, Ziqiang; Chang, Shaozhong; Pu, Jun; Zhang, Huigang

2017-01-01

Cathodes have been one of the major challenges of flexible batteries. The traditional slurry-based technologies lead to loose interparticle connection, which is vulnerable upon bending. The direct fabrication of cathode materials requires high temperatures, which may destroy flexible substrates. Here we developed an electrodepostion and solvothermal route to conformally coat cathode material on a flexible scaffold. The monolithic electrode enables an ultra-flexible lithium ion battery because of the close attachment of active materials to flexible scaffolds and the interlock effect between the hard shell and soft core. This ultra-flexible battery retains 58.8% of initial capacity even after bending 4000 cycles.

Large catchment area recharges Titan's Ontario Lacus

Science.gov (United States)

Dhingra, Rajani D.; Barnes, Jason W.; Yanites, Brian J.; Kirk, Randolph L.

2018-01-01

We seek to address the question of what processes are at work to fill Ontario Lacus while other, deeper south polar basins remain empty. Our hydrological analysis indicates that Ontario Lacus has a catchment area spanning 5.5% of Titan's surface and a large catchment area to lake surface area ratio. This large catchment area translates into large volumes of liquid making their way to Ontario Lacus after rainfall. The areal extent of the catchment extends to at least southern mid-latitudes (40°S). Mass conservation calculations indicate that runoff alone might completely fill Ontario Lacus within less than half a Titan year (1 Titan year = 29.5 Earth years) assuming no infiltration. Cassini Visual and Infrared Mapping Spectrometer (VIMS) observations of clouds over the southern mid and high-latitudes are consistent with precipitation feeding Ontario's large catchment area. This far-flung rain may be keeping Ontario Lacus filled, making it a liquid hydrocarbon oasis in the relatively dry south polar region.

Fast and accurate grid representations for atom-based docking with partner flexibility.

Science.gov (United States)

de Vries, Sjoerd J; Zacharias, Martin

2017-06-30

Macromolecular docking methods can broadly be divided into geometric and atom-based methods. Geometric methods use fast algorithms that operate on simplified, grid-like molecular representations, while atom-based methods are more realistic and flexible, but far less efficient. Here, a hybrid approach of grid-based and atom-based docking is presented, combining precalculated grid potentials with neighbor lists for fast and accurate calculation of atom-based intermolecular energies and forces. The grid representation is compatible with simultaneous multibody docking and can tolerate considerable protein flexibility. When implemented in our docking method ATTRACT, grid-based docking was found to be ∼35x faster. With the OPLSX forcefield instead of the ATTRACT coarse-grained forcefield, the average speed improvement was >100x. Grid-based representations may allow atom-based docking methods to explore large conformational spaces with many degrees of freedom, such as multiple macromolecules including flexibility. This increases the domain of biological problems to which docking methods can be applied. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Research on mechanism of the large-amplitude and narrow-band vibration of a flexible flat plate in the rectangular channel

Energy Technology Data Exchange (ETDEWEB)

Liu Lifang, E-mail: liu_lifang1106@yahoo.cn [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China); State Nuclear Power Software Development Center, Building 1, Compound No. 29, North Third Ring Road, Xicheng District, Beijing 100029 (China); Lu Daogang [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China)

2012-09-15

Highlights: Black-Right-Pointing-Pointer The large amplitude and narrow-band vibration experiment was performed. Black-Right-Pointing-Pointer The added mass theory was used to analyze the test plates' natural vibration characteristics in static water. Black-Right-Pointing-Pointer The occurring condition of the large amplitude and narrow band vibration was investigated. Black-Right-Pointing-Pointer The large amplitude and narrow-band vibration mechanism was investigated. - Abstract: Further experiments and theoretical analysis were performed to investigate mechanism of the large-amplitude and narrow-band vibration behavior of a flexible flat plate in a rectangular channel. Test plates with different thicknesses were adopted in the FIV experiments. The natural vibration characteristics of the flexible flat plates in air were tested, and the added mass theory of column was used to analyze the flexible flat plates' natural vibration characteristics in static water. It was found that the natural vibration frequency of a certain test plate in static water is approximately within the main vibration frequency band of the plate when it was induced to vibrate with the large-amplitude and narrow-band in the rectangular channel. It can be concluded that the harmonic between the flowing fluid and the vibrating plate is one of the key reasons to induce the large-amplitude and narrow-band vibration phenomenon. The occurring condition of the phenomenon and some important narrow-band vibration characteristics of a foursquare fix-supported flexible flat plate were investigated.

Calibrating an optical scanner for quality assurance of large area radiation detectors

Science.gov (United States)

Karadzhinova, A.; Hildén, T.; Berdova, M.; Lauhakangas, R.; Heino, J.; Tuominen, E.; Franssila, S.; Hæggström, E.; Kassamakov, I.

2014-11-01

A gas electron multiplier (GEM) is a particle detector used in high-energy physics. Its main component is a thin copper-polymer-copper sandwich that carries Ø =70  ±  5 µm holes. Quality assurance (QA) is needed to guarantee both long operating life and reading fidelity of the GEM. Absence of layer defects and conformity of the holes to specifications is important. Both hole size and shape influence the detector’s gas multiplication factor and hence affect the collected data. For the scanner the required lateral measurement tolerance is ± 5 µm. We calibrated a high aspect ratio optical scanning system (OSS) to allow ensuring the quality of large GEM foils. For the calibration we microfabricated transfer standards, which were imaged with the OSS and which were compared to corresponding scanning electron microscopy (SEM) images. The calibration fulfilled the ISO/IEC 17025 and UKAS M3003 requirements: the calibration factor was 1.01  ±  0.01, determined at 95% confidence level across a 950  ×  950 mm2 area. The proposed large-scale scanning technique can potentially be valuable in other microfabricated products too.

Combined FVTD/PSTD Schemes with Enhanced Spectral Accuracy for the Design of Large-Scale EMC Applications

Directory of Open Access Journals (Sweden)

N. V. Kantartzis

2012-10-01

Full Text Available A generalized conformal time-domain method with adjustable spectral accuracy is introduced in this paper for the consistent analysis of large-scale electromagnetic compatibility problems. The novel 3-D hybrid schemes blend a stencil-optimized finite-volume time-domain and a multimodal Fourier-Chebyshev pseudo-spectral time-domain algorithm that split the overall space into smaller and flexible areas. A key asset is that both techniques are updated independently and interconnected by robust boundary conditions. Also, combining a family of spatial derivative approximators with controllable precision in general curvilinear coordinates, the proposed method launches a conformal field flux formulation to derive electromagnetic quantities in regions with fine details. For advanced grid reliability at dissimilar media interfaces, dispersion-reduced adaptive operators, which assign the proper weights to each spatial increment, are developed. So, the resulting discretization yields highly rigorous and computationally affordable simulations, devoid of lattice errors. Numerical results, addressing detailed comparisons of various realistic applications with reference or measurement data verify our methodology and reveal its significant applicability.

Flexible MEMS: A novel technology to fabricate flexible sensors and electronics

Science.gov (United States)

Tu, Hongen

This dissertation presents the design and fabrication techniques used to fabricate flexible MEMS (Micro Electro Mechanical Systems) devices. MEMS devices and CMOS(Complementary Metal-Oxide-Semiconductor) circuits are traditionally fabricated on rigid substrates with inorganic semiconductor materials such as Silicon. However, it is highly desirable that functional elements like sensors, actuators or micro fluidic components to be fabricated on flexible substrates for a wide variety of applications. Due to the fact that flexible substrate is temperature sensitive, typically only low temperature materials, such as polymers, metals, and organic semiconductor materials, can be directly fabricated on flexible substrates. A novel technology based on XeF2(xenon difluoride) isotropic silicon etching and parylene conformal coating, which is able to monolithically incorporate high temperature materials and fluidic channels, was developed at Wayne State University. The technology was first implemented in the development of out-of-plane parylene microneedle arrays that can be individually addressed by integrated flexible micro-channels. These devices enable the delivery of chemicals with controlled temporal and spatial patterns and allow us to study neurotransmitter-based retinal prosthesis. The technology was further explored by adopting the conventional SOI-CMOS processes. High performance and high density CMOS circuits can be first fabricated on SOI wafers, and then be integrated into flexible substrates. Flexible p-channel MOSFETs (Metal-Oxide-Semiconductor Field-Effect-Transistors) were successfully integrated and tested. Integration of pressure sensors and flow sensors based on single crystal silicon has also been demonstrated. A novel smart yarn technology that enables the invisible integration of sensors and electronics into fabrics has been developed. The most significant advantage of this technology is its post-MEMS and post-CMOS compatibility. Various high

Floating substructure flexibility of large-volume 10MW offshore wind turbine platforms in dynamic calculations

International Nuclear Information System (INIS)

Borg, Michael; Hansen, Anders Melchior; Bredmose, Henrik

2016-01-01

Designing floating substructures for the next generation of 10MW and larger wind turbines has introduced new challenges in capturing relevant physical effects in dynamic simulation tools. In achieving technically and economically optimal floating substructures, structural flexibility may increase to the extent that it becomes relevant to include in addition to the standard rigid body substructure modes which are typically described through linear radiation-diffraction theory. This paper describes a method for the inclusion of substructural flexibility in aero-hydro-servo-elastic dynamic simulations for large-volume substructures, including wave-structure interactions, to form the basis of deriving sectional loads and stresses within the substructure. The method is applied to a case study to illustrate the implementation and relevance. It is found that the flexible mode is significantly excited in an extreme event, indicating an increase in predicted substructure internal loads. (paper)

Prediction of conformationally dependent atomic multipole moments in carbohydrates.

Science.gov (United States)

Cardamone, Salvatore; Popelier, Paul L A

2015-12-15

The conformational flexibility of carbohydrates is challenging within the field of computational chemistry. This flexibility causes the electron density to change, which leads to fluctuating atomic multipole moments. Quantum Chemical Topology (QCT) allows for the partitioning of an "atom in a molecule," thus localizing electron density to finite atomic domains, which permits the unambiguous evaluation of atomic multipole moments. By selecting an ensemble of physically realistic conformers of a chemical system, one evaluates the various multipole moments at defined points in configuration space. The subsequent implementation of the machine learning method kriging delivers the evaluation of an analytical function, which smoothly interpolates between these points. This allows for the prediction of atomic multipole moments at new points in conformational space, not trained for but within prediction range. In this work, we demonstrate that the carbohydrates erythrose and threose are amenable to the above methodology. We investigate how kriging models respond when the training ensemble incorporating multiple energy minima and their environment in conformational space. Additionally, we evaluate the gains in predictive capacity of our models as the size of the training ensemble increases. We believe this approach to be entirely novel within the field of carbohydrates. For a modest training set size of 600, more than 90% of the external test configurations have an error in the total (predicted) electrostatic energy (relative to ab initio) of maximum 1 kJ mol(-1) for open chains and just over 90% an error of maximum 4 kJ mol(-1) for rings. © 2015 Wiley Periodicals, Inc.

Ultrahigh Detective Heterogeneous Photosensor Arrays with In-Pixel Signal Boosting Capability for Large-Area and Skin-Compatible Electronics.

Science.gov (United States)

Kim, Jaehyun; Kim, Jaekyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Myungwon; Moon, Juhyuk; Yang, Lin; Kim, Myung-Gil; Kim, Yong-Hoon; Park, Sung Kyu

2016-04-01

An ultra-thin and large-area skin-compatible heterogeneous organic/metal-oxide photosensor array is demonstrated which is capable of sensing and boosting signals with high detectivity and signal-to-noise ratio. For the realization of ultra-flexible and high-sensitive heterogeneous photosensor arrays on a polyimide substrate having organic sensor arrays and metal-oxide boosting circuitry, solution-processing and room-temperature alternating photochemical conversion routes are applied. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Flexible, High-Speed CdSe Nanocrystal Integrated Circuits.

Science.gov (United States)

Stinner, F Scott; Lai, Yuming; Straus, Daniel B; Diroll, Benjamin T; Kim, David K; Murray, Christopher B; Kagan, Cherie R

2015-10-14

We report large-area, flexible, high-speed analog and digital colloidal CdSe nanocrystal integrated circuits operating at low voltages. Using photolithography and a newly developed process to fabricate vertical interconnect access holes, we scale down device dimensions, reducing parasitic capacitances and increasing the frequency of circuit operation, and scale up device fabrication over 4 in. flexible substrates. We demonstrate amplifiers with ∼7 kHz bandwidth, ring oscillators with <10 μs stage delays, and NAND and NOR logic gates.

Conformal expansions and renormalons

Energy Technology Data Exchange (ETDEWEB)

Rathsman, J.

2000-02-07

The coefficients in perturbative expansions in gauge theories are factorially increasing, predominantly due to renormalons. This type of factorial increase is not expected in conformal theories. In QCD conformal relations between observables can be defined in the presence of a perturbative infrared fixed-point. Using the Banks-Zaks expansion the authors study the effect of the large-order behavior of the perturbative series on the conformal coefficients. The authors find that in general these coefficients become factorially increasing. However, when the factorial behavior genuinely originates in a renormalon integral, as implied by a postulated skeleton expansion, it does not affect the conformal coefficients. As a consequence, the conformal coefficients will indeed be free of renormalon divergence, in accordance with previous observations concerning the smallness of these coefficients for specific observables. The authors further show that the correspondence of the BLM method with the skeleton expansion implies a unique scale-setting procedure. The BLM coefficients can be interpreted as the conformal coefficients in the series relating the fixed-point value of the observable with that of the skeleton effective charge. Through the skeleton expansion the relevance of renormalon-free conformal coefficients extends to real-world QCD.

β-Glucans: Relationships between Modification, Conformation and Functional Activities

Directory of Open Access Journals (Sweden)

Qiang Wang

2017-02-01

Full Text Available β-glucan is a type of polysaccharide which widely exists in bacteria, fungi, algae, and plants, and has been well known for its biological activities such as enhancing immunity, antitumor, antibacterial, antiviral, and wound healing activities. The conformation of β-glucan plays a crucial role on its biological activities. Therefore, β-glucans obtained from different sources, while sharing the same basic structures, often show different bioactivities. The basic structure and inter-molecular forces of polysaccharides can be changed by modification, which leads to the conformational transformation in solution that can directly affect bioactivity. In this review, we will first determine different ways to modify β-glucan molecules including physical methods, chemical methods, and biological methods, and then reveal the relationship of the flexible helix form of the molecule chain and the helix conformation to their bioactivities. Last, we summarize the scientific challenges to modifying β-glucan’s conformation and functional activity, and discuss its potential future development.

Large area high-speed metrology SPM system

International Nuclear Information System (INIS)

Klapetek, P; Valtr, M; Martinek, J; Picco, L; Payton, O D; Miles, M; Yacoot, A

2015-01-01

We present a large area high-speed measuring system capable of rapidly generating nanometre resolution scanning probe microscopy data over mm 2 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. (paper)

Large area high-speed metrology SPM system

Science.gov (United States)

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.

Towards development of nanofibrous large strain flexible strain sensors with programmable shape memory properties

Science.gov (United States)

Khalili, N.; Asif, H.; Naguib, H. E.

2018-05-01

Electrospun polymeric fibers can be used as strain sensors due to their large surface to weight/volume ratio, high porosity and pore interconnectivity. Large strain flexible strain sensors are used in numerous applications including rehabilitation, health monitoring, and sports performance monitoring where large strain detection should be accommodated by the sensor. This has boosted the demand for a stretchable, flexible and highly sensitive sensor able to detect a wide range of mechanically induced deformations. Herein, a physically cross-linked polylactic acid (PLA) and thermoplastic polyurethane (TPU) blend is made into nanofiber networks via electrospinning. The PLA/TPU weight ratio is optimized to obtain a maximum attainable strain of 100% while maintaining its mechanical integrity. The TPU/PLA fibers also allowed for their thermally activated recovery due to shape memory properties of the substrate. This novel feature enhances the sensor’s performance as it is no longer limited by its plastic deformation. Using spray coating method, a homogeneous layer of single-walled carbon nanotube is deposited onto the as-spun fiber mat to induce electrical conductivity to the surface of the fibers. It is shown that stretching and bending the sensor result in a highly sensitive and linear response with a maximum gauge factor of 33.

Novel Flexible Wearable Sensor Materials and Signal Processing for Vital Sign and Human Activity Monitoring.

Science.gov (United States)

Servati, Amir; Zou, Liang; Wang, Z Jane; Ko, Frank; Servati, Peyman

2017-07-13

Advances in flexible electronic materials and smart textile, along with broad availability of smart phones, cloud and wireless systems have empowered the wearable technologies for significant impact on future of digital and personalized healthcare as well as consumer electronics. However, challenges related to lack of accuracy, reliability, high power consumption, rigid or bulky form factor and difficulty in interpretation of data have limited their wide-scale application in these potential areas. As an important solution to these challenges, we present latest advances in novel flexible electronic materials and sensors that enable comfortable and conformable body interaction and potential for invisible integration within daily apparel. Advances in novel flexible materials and sensors are described for wearable monitoring of human vital signs including, body temperature, respiratory rate and heart rate, muscle movements and activity. We then present advances in signal processing focusing on motion and noise artifact removal, data mining and aspects of sensor fusion relevant to future clinical applications of wearable technology.

Chemically modified graphene based supercapacitors for flexible and miniature devices

Science.gov (United States)

Ghosh, Debasis; Kim, Sang Ouk

2015-09-01

Rapid progress in the portable and flexible electronic devises has stimulated supercapacitor research towards the design and fabrication of high performance flexible devices. Recent research efforts for flexible supercapacitor electrode materials are highly focusing on graphene and chemically modified graphene owing to the unique properties, including large surface area, high electrical and thermal conductivity, excellent mechanical flexibility, and outstanding chemical stability. This invited review article highlights current status of the flexible electrode material research based on chemically modified graphene for supercapacitor application. A variety of electrode architectures prepared from chemically modified graphene are summarized in terms of their structural dimensions. Novel prototypes for the supercapacitor aiming at flexible miniature devices, i.e. microsupercapacitor with high energy and power density are highlighted. Future challenges relevant to graphene-based flexible supercapacitors are also suggested. [Figure not available: see fulltext.

LYCORIS - A Large Area Strip Telescope

CERN Document Server

Krämer, U; Stanitzki, M; Wu, M

2018-01-01

The LYCORIS Large Area Silicon Strip Telescope for the DESY II Test Beam Facility is presented. The DESY II Test Beam Facility provides elec- tron and positron beams for beam tests of up to 6 GeV. A new telescope with a large 10 × 20 cm2 coverage area based on a 25 μm pitch strip sensor is to be installed within the PCMAG 1 T solenoid. The current state of the system is presented.

Conformal dimension theory and application

CERN Document Server

Mackay, John M

2010-01-01

Conformal dimension measures the extent to which the Hausdorff dimension of a metric space can be lowered by quasisymmetric deformations. Introduced by Pansu in 1989, this concept has proved extremely fruitful in a diverse range of areas, including geometric function theory, conformal dynamics, and geometric group theory. This survey leads the reader from the definitions and basic theory through to active research applications in geometric function theory, Gromov hyperbolic geometry, and the dynamics of rational maps, amongst other areas. It reviews the theory of dimension in metric spaces and of deformations of metric spaces. It summarizes the basic tools for estimating conformal dimension and illustrates their application to concrete problems of independent interest. Numerous examples and proofs are provided. Working from basic definitions through to current research areas, this book can be used as a guide for graduate students interested in this field, or as a helpful survey for experts. Background needed ...

The flex track: flexible partitioning between low- and high-acuity areas of an emergency department.

Science.gov (United States)

Laker, Lauren F; Froehle, Craig M; Lindsell, Christopher J; Ward, Michael J

2014-12-01

Emergency departments (EDs) with both low- and high-acuity treatment areas often have fixed allocation of resources, regardless of demand. We demonstrate the utility of discrete-event simulation to evaluate flexible partitioning between low- and high-acuity ED areas to identify the best operational strategy for subsequent implementation. A discrete-event simulation was used to model patient flow through a 50-bed, urban, teaching ED that handles 85,000 patient visits annually. The ED has historically allocated 10 beds to a fast track for low-acuity patients. We estimated the effect of a flex track policy, which involved switching up to 5 of these fast track beds to serving both low- and high-acuity patients, on patient waiting times. When the high-acuity beds were not at capacity, low-acuity patients were given priority access to flexible beds. Otherwise, high-acuity patients were given priority access to flexible beds. Wait times were estimated for patients by disposition and Emergency Severity Index score. A flex track policy using 3 flexible beds produced the lowest mean patient waiting time of 30.9 minutes (95% confidence interval [CI] 30.6 to 31.2 minutes). The typical fast track approach of rigidly separating high- and low-acuity beds produced a mean patient wait time of 40.6 minutes (95% CI 40.2 to 50.0 minutes), 31% higher than that of the 3-bed flex track. A completely flexible ED, in which all beds can accommodate any patient, produced mean wait times of 35.1 minutes (95% CI 34.8 to 35.4 minutes). The results from the 3-bed flex track scenario were robust, performing well across a range of scenarios involving higher and lower patient volumes and care durations. Using discrete-event simulation, we have shown that adding some flexibility into bed allocation between low and high acuity can provide substantial reductions in overall patient waiting and a more efficient ED. Copyright © 2014 American College of Emergency Physicians. Published by Elsevier Inc

A multiscale approach to simulating the conformational properties of unbound multi-C₂H₂ zinc finger proteins.

Science.gov (United States)

Liu, Lei; Wade, Rebecca C; Heermann, Dieter W

2015-09-01

The conformational properties of unbound multi-Cys2 His2 (mC2H2) zinc finger proteins, in which zinc finger domains are connected by flexible linkers, are studied by a multiscale approach. Three methods on different length scales are utilized. First, atomic detail molecular dynamics simulations of one zinc finger and its adjacent flexible linker confirmed that the zinc finger is more rigid than the flexible linker. Second, the end-to-end distance distributions of mC2H2 zinc finger proteins are computed using an efficient atomistic pivoting algorithm, which only takes excluded volume interactions into consideration. The end-to-end distance distribution gradually changes its profile, from left-tailed to right-tailed, as the number of zinc fingers increases. This is explained by using a worm-like chain model. For proteins of a few zinc fingers, an effective bending constraint favors an extended conformation. Only for proteins containing more than nine zinc fingers, is a somewhat compacted conformation preferred. Third, a mesoscale model is modified to study both the local and the global conformational properties of multi-C2H2 zinc finger proteins. Simulations of the CCCTC-binding factor (CTCF), an important mC2H2 zinc finger protein for genome spatial organization, are presented. © 2015 Wiley Periodicals, Inc.

Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains

KAUST Repository

Diao, Ying

2013-06-02

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. © 2013 Macmillan Publishers Limited. All rights reserved.

Large-Area CVD-Grown Sub-2 V ReS2 Transistors and Logic Gates.

Science.gov (United States)

Dathbun, Ajjiporn; Kim, Youngchan; Kim, Seongchan; Yoo, Youngjae; Kang, Moon Sung; Lee, Changgu; Cho, Jeong Ho

2017-05-10

We demonstrated the fabrication of large-area ReS 2 transistors and logic gates composed of a chemical vapor deposition (CVD)-grown multilayer ReS 2 semiconductor channel and graphene electrodes. Single-layer graphene was used as the source/drain and coplanar gate electrodes. An ion gel with an ultrahigh capacitance effectively gated the ReS 2 channel at a low voltage, below 2 V, through a coplanar gate. The contact resistance of the ion gel-gated ReS 2 transistors with graphene electrodes decreased dramatically compared with the SiO 2 -devices prepared with Cr electrodes. The resulting transistors exhibited good device performances, including a maximum electron mobility of 0.9 cm 2 /(V s) and an on/off current ratio exceeding 10 4 . NMOS logic devices, such as NOT, NAND, and NOR gates, were assembled using the resulting transistors as a proof of concept demonstration of the applicability of the devices to complex logic circuits. The large-area synthesis of ReS 2 semiconductors and graphene electrodes and their applications in logic devices open up new opportunities for realizing future flexible electronics based on 2D nanomaterials.

Synthesis and biological evaluation of flexible and conformationally constrained LpxC inhibitors

DEFF Research Database (Denmark)

Löppenberg, Marius; Müller, Hannes; Pulina, Carla

2013-01-01

, 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...

Large Scale Triboelectric Nanogenerator and Self-Powered Flexible Sensor for Human Sleep Monitoring

Directory of Open Access Journals (Sweden)

Xiaoheng Ding

2018-05-01

Full Text Available The triboelectric nanogenerator (TENG and its application as a sensor is a popular research subject. There is demand for self-powered, flexible sensors with high sensitivity and high power-output for the next generation of consumer electronics. In this study, a 300 mm × 300 mm carbon nanotube (CNT-doped porous PDMS film was successfully fabricated wherein the CNT influenced the micropore structure. A self-powered TENG tactile sensor was established according to triboelectric theory. The CNT-doped porous TENG showed a voltage output seven times higher than undoped porous TENG and 16 times higher than TENG with pure PDMS, respectively. The TENG successfully acquired human motion signals, breath signals, and heartbeat signals during a sleep monitoring experiment. The results presented here may provide an effective approach for fabricating large-scale and low-cost flexible TENG sensors.

Conformational Flexibility Determines Selectivity and Antibacterial, Antiplasmodial, and Anticancer Potency of Cationic α-Helical Peptides*

Science.gov (United States)

Vermeer, Louic S.; Lan, Yun; Abbate, Vincenzo; Ruh, Emrah; Bui, Tam T.; Wilkinson, Louise J.; Kanno, Tokuwa; Jumagulova, Elmira; Kozlowska, Justyna; Patel, Jayneil; McIntyre, Caitlin A.; Yam, W. C.; Siu, Gilman; Atkinson, R. Andrew; Lam, Jenny K. W.; Bansal, Sukhvinder S.; Drake, Alex F.; Mitchell, Graham H.; Mason, A. James

2012-01-01

We used a combination of fluorescence, circular dichroism (CD), and NMR spectroscopies in conjunction with size exclusion chromatography to help rationalize the relative antibacterial, antiplasmodial, and cytotoxic activities of a series of proline-free and proline-containing model antimicrobial peptides (AMPs) in terms of their structural properties. When compared with proline-free analogs, proline-containing peptides had greater activity against Gram-negative bacteria, two mammalian cancer cell lines, and intraerythrocytic Plasmodium falciparum, which they were capable of killing without causing hemolysis. In contrast, incorporation of proline did not have a consistent effect on peptide activity against Mycobacterium tuberculosis. In membrane-mimicking environments, structures with high α-helix content were adopted by both proline-free and proline-containing peptides. In solution, AMPs generally adopted disordered structures unless their sequences comprised more hydrophobic amino acids or until coordinating phosphate ions were added. Proline-containing peptides resisted ordering induced by either method. The roles of the angle subtended by positively charged amino acids and the positioning of the proline residues were also investigated. Careful positioning of proline residues in AMP sequences is required to enable the peptide to resist ordering and maintain optimal antibacterial activity, whereas varying the angle subtended by positively charged amino acids can attenuate hemolytic potential albeit with a modest reduction in potency. Maintaining conformational flexibility improves AMP potency and selectivity toward bacterial, plasmodial, and cancerous cells while enabling the targeting of intracellular pathogens. PMID:22869378

Conformal Ablative Thermal Protection System for Planetary and Human Exploration Missions:An Overview of the Technology Maturation Effort

Science.gov (United States)

Beck, Robin A S.; Arnold, James O.; Gasch, Matthew J.; Stackpoole, Margaret M.; Prabhu, Dinesh K.; Szalai, Christine E.; Wercinski, Paul F.; Venkatapathy, Ethiraj

2013-01-01

The Office of Chief Technologist, NASA identified the need for research and technology development in part from NASAs Strategic Goal 3.3 of the NASA Strategic Plan to develop and demonstrate the critical technologies that will make NASAs exploration, science, and discovery missions more affordable and more capable. Furthermore, the Game Changing Development Program is a primary avenue to achieve the Agencys 2011 strategic goal to Create the innovative new space technologies for our exploration, science, and economic future. The National Research Council (NRC) Space Technology Roadmaps and Priorities report highlights six challenges and they are: Mass to Surface, Surface Access, Precision Landing, Surface Hazard Detection and Avoidance, Safety and Mission Assurance, and Affordability. In order for NASA to meet these challenges, the report recommends immediate focus on Rigid and Flexible Thermal Protection Systems. Rigid TPS systems such as Avcoat or SLA are honeycomb based and PICA is in the form of tiles. The honeycomb systems are manufactured using techniques that require filling of each (38 cell) by hand, and in a limited amount of time all of the cells must be filled and the heatshield must be cured. The tile systems such as PICA pose a different challenge as the low strain-to-failure and manufacturing size limitations require large number of small tiles with gap-fillers between the tiles. Recent investments in flexible ablative systems have given rise to the potential for conformal ablative TPS. A conformal TPS over a rigid aeroshell has the potential to solve a number of challenges faced by traditional rigid TPS materials. The high strain-to-failure nature of the conformal ablative materials will allow integration of the TPS with the underlying aeroshell structure much easier and enable monolithic-like configuration and larger segments (or parts) to be used. By reducing the overall part count, the cost of installation (based on cost comparisons between blanket

Thin film transistors for flexible electronics: Contacts, dielectrics and semiconductors

KAUST Repository

Quevedo-López, Manuel Angel Quevedo

2011-06-01

The development of low temperature, thin film transistor processes that have enabled flexible displays also present opportunities for flexible electronics and flexible integrated systems. Of particular interest are possible applications in flexible sensor systems for unattended ground sensors, smart medical bandages, electronic ID tags for geo-location, conformal antennas, radiation detectors, etc. In this paper, we review the impact of gate dielectrics, contacts and semiconductor materials on thin film transistors for flexible electronics applications. We present our recent results to fully integrate hybrid complementary metal oxide semiconductors comprising inorganic and organic-based materials. In particular, we demonstrate novel gate dielectric stacks and semiconducting materials. The impact of source and drain contacts on device performance is also discussed. Copyright © 2011 American Scientific Publishers.

Thin film transistors for flexible electronics: Contacts, dielectrics and semiconductors

KAUST Repository

Quevedo-Ló pez, Manuel Angel Quevedo; Wondmagegn, Wudyalew T.; Alshareef, Husam N.; Ramí rez-Bon, Rafael; Gnade, Bruce E.

2011-01-01

The development of low temperature, thin film transistor processes that have enabled flexible displays also present opportunities for flexible electronics and flexible integrated systems. Of particular interest are possible applications in flexible sensor systems for unattended ground sensors, smart medical bandages, electronic ID tags for geo-location, conformal antennas, radiation detectors, etc. In this paper, we review the impact of gate dielectrics, contacts and semiconductor materials on thin film transistors for flexible electronics applications. We present our recent results to fully integrate hybrid complementary metal oxide semiconductors comprising inorganic and organic-based materials. In particular, we demonstrate novel gate dielectric stacks and semiconducting materials. The impact of source and drain contacts on device performance is also discussed. Copyright © 2011 American Scientific Publishers.

Conformal Nets II: Conformal Blocks

Science.gov (United States)

Bartels, Arthur; Douglas, Christopher L.; Henriques, André

2017-08-01

Conformal nets provide a mathematical formalism for conformal field theory. Associated to a conformal net with finite index, we give a construction of the `bundle of conformal blocks', a representation of the mapping class groupoid of closed topological surfaces into the category of finite-dimensional projective Hilbert spaces. We also construct infinite-dimensional spaces of conformal blocks for topological surfaces with smooth boundary. We prove that the conformal blocks satisfy a factorization formula for gluing surfaces along circles, and an analogous formula for gluing surfaces along intervals. We use this interval factorization property to give a new proof of the modularity of the category of representations of a conformal net.

Study of PDMS conformation in PDMS-based hybrid materials prepared by gamma irradiation

International Nuclear Information System (INIS)

Lancastre, J.J.H.; Fernandes, N.; Margaça, F.M.A.; Miranda Salvado, I.M.; Ferreira, L.M.; Falcão, A.N.; Casimiro, M.H.

2012-01-01

Polydimethylsiloxane-silicate based hybrid materials have recognized properties (high flexibility, low elastic modulus or high mechanical strength) for which there are a large number of applications in development, such as for the bioapplications field. The hybrids addressed in the present study were prepared by gamma irradiation of a mixture of polydimethylsiloxane (PDMS) with tetraethylorthosilicate (TEOS) and zirconium propoxide (PrZr) without addition of any solvent or other product. The materials are homogeneous, transparent, monolithic and flexible. The structure dependence on the PrZr content is addressed. A combination of X-ray diffraction (XRD) and Infrared Spectroscopy (IR) was used. The results reveal that the polymer in the hybrids prepared with PrZr, in a content≤5 wt%, shows a structure similar to that in the irradiated pure polymer sample. In these samples the presence of ordered polymer regions is clearly found. For samples prepared with higher content of Zr almost no ordered polymer regions are observed. The addition of PrZr plays an important role on polymer conformation in these hybrid materials. - Highlights: ► PDMS-based hybrid materials were prepared by γ-irradiation. ► FTIR, ATR/FT-IR and XRD techniques were used to characterize the materials. ► Changes in FTIR bands reflect growth of crosslinking network. ► Above certain Zr concentration regions of Zr-silicate oxide are formed. ► Zr content determines conformation of the polymer chain network.

DAT/SERT Selectivity of Flexible GBR 12909 Analogs Modeled Using 3D-QSAR Methods

Science.gov (United States)

Gilbert, Kathleen M.; Boos, Terrence L.; Dersch, Christina M.; Greiner, Elisabeth; Jacobson, Arthur E.; Lewis, David; Matecka, Dorota; Prisinzano, Thomas E.; Zhang, Ying; Rothman, Richard B.; Rice, Kenner C.; Venanzi, Carol A.

2007-01-01

The dopamine reuptake inhibitor GBR 12909 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine, 1) and its analogs have been developed as tools to test the hypothesis that selective dopamine transporter (DAT) inhibitors will be useful therapeutics for cocaine addiction. This 3D-QSAR study focuses on the effect of substitutions in the phenylpropyl region of 1. CoMFA and CoMSIA techniques were used to determine a predictive and stable model for the DAT/serotonin transporter (SERT) selectivity (represented by pKi (DAT/SERT)) of a set of flexible analogs of 1, most of which have eight rotatable bonds. In the absence of a rigid analog to use as a 3D-QSAR template, six conformational families of analogs were constructed from six pairs of piperazine and piperidine template conformers identified by hierarchical clustering as representative molecular conformations. Three models stable to y-value scrambling were identified after a comprehensive CoMFA and CoMSIA survey with Region Focusing. Test set correlation validation led to an acceptable model, with q2 = 0.508, standard error of prediction = 0.601, two components, r2 = 0.685, standard error of estimate = 0.481, F value = 39, percent steric contribution = 65, and percent electrostatic contribution = 35. A CoMFA contour map identified areas of the molecule that affect pKi (DAT/SERT). This work outlines a protocol for deriving a stable and predictive model of the biological activity of a set of very flexible molecules. PMID:17127069

Conformality lost

International Nuclear Information System (INIS)

Kaplan, David B.; Lee, Jong-Wan; Son, Dam T.; Stephanov, Mikhail A.

2009-01-01

We consider zero-temperature transitions from conformal to nonconformal phases in quantum theories. We argue that there are three generic mechanisms for the loss of conformality in any number of dimensions: (i) fixed point goes to zero coupling, (ii) fixed point runs off to infinite coupling, or (iii) an IR fixed point annihilates with a UV fixed point and they both disappear into the complex plane. We give both relativistic and nonrelativistic examples of the last case in various dimensions and show that the critical behavior of the mass gap behaves similarly to the correlation length in the finite temperature Berezinskii-Kosterlitz-Thouless (BKT) phase transition in two dimensions, ξ∼exp(c/|T-T c | 1/2 ). We speculate that the chiral phase transition in QCD at large number of fermion flavors belongs to this universality class, and attempt to identify the UV fixed point that annihilates with the Banks-Zaks fixed point at the lower end of the conformal window.

Improvements to robotics-inspired conformational sampling in rosetta.

Directory of Open Access Journals (Sweden)

Amelie Stein

Full Text Available To accurately predict protein conformations in atomic detail, a computational method must be capable of sampling models sufficiently close to the native structure. All-atom sampling is difficult because of the vast number of possible conformations and extremely rugged energy landscapes. Here, we test three sampling strategies to address these difficulties: conformational diversification, intensification of torsion and omega-angle sampling and parameter annealing. We evaluate these strategies in the context of the robotics-based kinematic closure (KIC method for local conformational sampling in Rosetta on an established benchmark set of 45 12-residue protein segments without regular secondary structure. We quantify performance as the fraction of sub-Angstrom models generated. While improvements with individual strategies are only modest, the combination of intensification and annealing strategies into a new "next-generation KIC" method yields a four-fold increase over standard KIC in the median percentage of sub-Angstrom models across the dataset. Such improvements enable progress on more difficult problems, as demonstrated on longer segments, several of which could not be accurately remodeled with previous methods. Given its improved sampling capability, next-generation KIC should allow advances in other applications such as local conformational remodeling of multiple segments simultaneously, flexible backbone sequence design, and development of more accurate energy functions.

Graphene-Tapered ZnO Nanorods Array as a Flexible Antireflection Layer

Directory of Open Access Journals (Sweden)

Taeseup Song

2015-01-01

Full Text Available Flexible solar cells have drawn a great deal of attention due to their various advantages including deformable and wearable characteristics. In the solar cells, the antireflection layer plays an important role in the improvement in the conversion efficiency by increasing the light transmission and suppressing the Fresnel refraction. For the successful implantation of the antireflection layer into the flexible solar cells, the flexible mechanical property of the antireflection layer is also necessary. However, the study on flexible antireflection layer for the flexible solar cells or optoelectronics is still lacking. In this study, we report the graphene-tapered ZnO nanorods array as a flexible antireflection layer for the application in flexible solar cells. Flexible two-dimensional graphene sheet and the tapered morphology of ZnO nanorods enable conformal coverage on the flexible substrate with curved surface and significant improvements in antireflection properties, respectively.

Application of flexible scope in large testing laboratories

Directory of Open Access Journals (Sweden)

Carina Di Candia

2011-04-01

Full Text Available According as the international definition of Flexible Scope, a laboratory must demonstrate face with the accreditation body that it has the knowledge, experience and competence to work within the full range of its flexible scope, as well as possessing suitable laboratory environments and equipment. The laboratory must also demonstrate that it has a management system in place that can control its proposed approach while continuing to comply with the requirements of ISO 17025:2005. In case of UKAS (Unites Kingdom Accreditation Service, prior to offering accreditation for flexible scope they must have a high degree of confidence that the staff are technically competent and that the management system controlling certain key processes as development, review, validation and authorization.LATU apply these requirements since 2004 as "Unified Tests". Until this date, LATU was doing the same type of tests in different materials departments using different equipment, personal, and testing quality control. In order to that were defined cross disciplinary groups to analyze this topic approaching in personal competence and quality control tests improvement, and resource's decrease. For example, LATU has the Unified Test Tensile Strength accredited by UKAS in: corrugated and solid fiberboard, paper board, linerboard, cork plugs, plastic bags, plastic sheeting, paper, woven fabrics, plastic woven bags and woven plastic. As a result of the Unified Tests was generated a general unified manage procedure with unified criteria's, responsibilities and actions. Was written a unique testing procedure not only with the actual flexible scope and the flexibilities limits but also the compliance requirements of ISO 17025 and the accreditations body methodology. We could decrease the amount of documentation to control. Was defined the methodology and implemented periodicaly internal inter comparisons between departments in order to valid the unified tests and has a unique

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

Energy Technology Data Exchange (ETDEWEB)

Chen, Hui; Mustafi, Sourajit M. [New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); LeMaster, David M. [New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); University at Albany – SUNY, Empire State Plaza, Albany, NY 12201 (United States); Li, Zhong [New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); Héroux, Annie [Brookhaven National Laboratory, Upton, NY 11973 (United States); Li, Hongmin; Hernández, Griselda, E-mail: griselda@wadsworth.org [New York State Department of Health, Empire State Plaza, Albany, NY 12201 (United States); University at Albany – SUNY, Empire State Plaza, Albany, NY 12201 (United States)

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.

Interplay of charge distribution and conformation in peptides: comparison of theory and experiment.

Science.gov (United States)

Makowska, Joanna; Bagińska, Katarzyna; Kasprzykowski, F; Vila, Jorge A; Jagielska, Anna; Liwo, Adam; Chmurzyński, Lech; Scheraga, Harold A

2005-01-01

We assessed the correlation between charge distribution and conformation of flexible peptides by comparing the theoretically calculated potentiometric-titration curves of two model peptides, Ac-Lys5-NHMe (a model of poly-L-lysine) and Ac-Lys-Ala11-Lys-Gly2-Tyr-NH2 (P1) in water and methanol, with the experimental curves. The calculation procedure consisted of three steps: (i) global conformational search of the peptide under study using the electrostatically driven Monte Carlo (EDMC) method with the empirical conformational energy program for peptides (ECEPP)/3 force field plus the surface-hydration (SRFOPT) or the generalized Born surface area (GBSA) solvation model as well as a molecular dynamics method with the assisted model building and energy refinement (AMBER)99/GBSA force field; (ii) reevaluation of the energy in the pH range considered by using the modified Poisson-Boltzmann approach and taking into account all possible protonation microstates of each conformation, and (iii) calculation of the average degree of protonation of the peptide at a given pH value by Boltzmann averaging over conformations. For Ac-Lys5-NHMe, the computed titration curve agrees qualitatively with the experimental curve of poly-L-lysine in 95% methanol. The experimental titration curves of peptide P1 in water and methanol indicate a remarkable downshift of the first pK(a) value compared to the values for reference compounds (n-butylamine and phenol, respectively), suggesting the presence of a hydrogen bond between the tyrosine hydroxyl oxygen and the H(epsilon) proton of a protonated lysine side chain. The theoretical titration curves agree well with the experimental curves, if conformations with such hydrogen bonds constitute a significant part of the ensemble; otherwise, the theory predicts too small a downward pH shift. Copyright 2005 Wiley Periodicals, Inc

Transparent, flexible supercapacitors from nano-engineered carbon films

Science.gov (United States)

Jung, Hyun Young; Karimi, Majid B.; Hahm, Myung Gwan; Ajayan, Pulickel M.; Jung, Yung Joon

2012-10-01

Here we construct mechanically flexible and optically transparent thin film solid state supercapacitors by assembling nano-engineered carbon electrodes, prepared in porous templates, with morphology of interconnected arrays of complex shapes and porosity. The highly textured graphitic films act as electrode and current collector and integrated with solid polymer electrolyte, function as thin film supercapacitors. The nanostructured electrode morphology and the conformal electrolyte packaging provide enough energy and power density for the devices in addition to excellent mechanical flexibility and optical transparency, making it a unique design in various power delivery applications.

ITO with embedded silver grids as transparent conductive electrodes for large area organic solar cells

Science.gov (United States)

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.

Large Area Sputter Coating on Glass

Science.gov (United States)

Katayama, Yoshihito

Large glass has been used for commercial buildings, housings and vehicles for many years. Glass size for flat displays is getting larger and larger. The glass for the 8th generation is more than 5 m2 in area. Demand of the large glass is increasing not only in these markets but also in a solar cell market growing drastically. Therefore, large area coating is demanded to plus something else on glass more than ever. Sputtering and pyrolysis are the major coating methods on large glass today. Sputtering process is particularly popular because it can deposit a wide variety of materials in good coating uniformity on the glass. This paper describes typical industrial sputtering system and recent progress in sputtering technology. It also shows typical coated glass products in architectural, automotive and display fields and comments on their functions, film stacks and so on.

Toward achieving flexible and high sensitivity hexagonal boron nitride neutron detectors

Science.gov (United States)

Maity, A.; Grenadier, S. J.; Li, J.; Lin, J. Y.; Jiang, H. X.

2017-07-01

Hexagonal boron nitride (h-BN) detectors have demonstrated the highest thermal neutron detection efficiency to date among solid-state neutron detectors at about 51%. We report here the realization of h-BN neutron detectors possessing one order of magnitude enhancement in the detection area but maintaining an equal level of detection efficiency of previous achievement. These 3 mm × 3 mm detectors were fabricated from 50 μm thick freestanding and flexible 10B enriched h-BN (h-10BN) films, grown by metal organic chemical vapor deposition followed by mechanical separation from sapphire substrates. Mobility-lifetime results suggested that holes are the majority carriers in unintentionally doped h-BN. The detectors were tested under thermal neutron irradiation from californium-252 (252Cf) moderated by a high density polyethylene moderator. A thermal neutron detection efficiency of ˜53% was achieved at a bias voltage of 200 V. Conforming to traditional solid-state detectors, the realization of h-BN epilayers with enhanced electrical transport properties is the key to enable scaling up the device sizes. More specifically, the present results revealed that achieving an electrical resistivity of greater than 1014 Ωṡcm and a leakage current density of below 3 × 10-10 A/cm2 is needed to fabricate large area h-BN detectors and provided guidance for achieving high sensitivity solid state neutron detectors based on h-BN.

Large-amplitude and narrow-band vibration phenomenon of a foursquare fix-supported flexible plate in a rigid narrow channel

Energy Technology Data Exchange (ETDEWEB)

Liu Lifang, E-mail: liu_lifang1106@yahoo.cn [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China); Lu Daogang, E-mail: ludaogang@ncepu.edu.cn [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China); Li Yang, E-mail: qinxiuyi@sina.com [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China); Zhang Pan, E-mail: zhangpan@ncepu.edu.cn [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China); Niu Fenglei, E-mail: niufenglei@ncepu.edu.cn [School of Nuclear Science and Engineering, North China Electric Power University, Zhuxinzhuang, Dewai, Beijing 102206 (China)

2011-08-15

Highlights: > FIV of a foursquare fix-supported flexible plate exposed to axial flow was studied. > Special designed test section and advanced measuring equipments were adopted. > The narrow-band vibration phenomenon with large amplitude was observed. > Line of plate's vibration amplitude and flow rate was investigated. > The phenomenon and the measurement error were analyzed. - Abstract: An experiment was performed to analyze the flow-induced vibration behavior of a foursquare fix-supported flexible plate exposed to the axial flow within a rigid narrow channel. The large-amplitude and narrow-band vibration phenomenon was observed in the experiment when the flow velocity varied with the range of 0-5 m/s. The occurring condition and some characteristics of the large-amplitude and narrow-band vibrations were investigated.

Analysis to determine the maximum dimensions of flexible apertures in sensored security netting products.

Energy Technology Data Exchange (ETDEWEB)

Murton, Mark; Bouchier, Francis A.; vanDongen, Dale T.; Mack, Thomas Kimball; Cutler, Robert P; Ross, Michael P.

2013-08-01

Although technological advances provide new capabilities to increase the robustness of security systems, they also potentially introduce new vulnerabilities. New capability sometimes requires new performance requirements. This paper outlines an approach to establishing a key performance requirement for an emerging intrusion detection sensor: the sensored net. Throughout the security industry, the commonly adopted standard for maximum opening size through barriers is a requirement based on square inchestypically 96 square inches. Unlike standard rigid opening, the dimensions of a flexible aperture are not fixed, but variable and conformable. It is demonstrably simple for a human intruder to move through a 96-square-inch opening that is conformable to the human body. The longstanding 96-square-inch requirement itself, though firmly embedded in policy and best practice, lacks a documented empirical basis. This analysis concluded that the traditional 96-square-inch standard for openings is insufficient for flexible openings that are conformable to the human body. Instead, a circumference standard is recommended for these newer types of sensored barriers. The recommended maximum circumference for a flexible opening should be no more than 26 inches, as measured on the inside of the netting material.

Printed electronic on flexible and glass substrates

Science.gov (United States)

Futera, Konrad; Jakubowska, Małgorzata; Kozioł, Grażyna

2010-09-01

Organic electronics is a platform technology that enables multiple applications based on organic electronics but varied in specifications. Organic electronics is based on the combination of new materials and cost-effective, large area production processes that provide new fields of application. Organic electronic by its size, weight, flexibility and environmental friendliness electronics enables low cost production of numerous electrical components and provides for such promising fields of application as: intelligent packaging, low cost RFID, flexible solar cells, disposable diagnostic devices or games, and printed batteries [1]. The paper presents results of inkjetted electronics elements on flexible and glass substrates. The investigations was target on characterizing shape, surface and geometry of printed structures. Variety of substrates were investigated, within some, low cost, non specialized substrate, design for other purposes than organic electronic.

Chain Assembly and Disassembly Processes Differently Affect the Conformational Space of Ubiquitin Chains.

Science.gov (United States)

Kniss, Andreas; Schuetz, Denise; Kazemi, Sina; Pluska, Lukas; Spindler, Philipp E; Rogov, Vladimir V; Husnjak, Koraljka; Dikic, Ivan; Güntert, Peter; Sommer, Thomas; Prisner, Thomas F; Dötsch, Volker

2018-02-06

Ubiquitination is the most versatile posttranslational modification. The information is encoded by linkage type as well as chain length, which are translated by ubiquitin binding domains into specific signaling events. Chain topology determines the conformational space of a ubiquitin chain and adds an additional regulatory layer to this ubiquitin code. In particular, processes that modify chain length will be affected by chain conformations as they require access to the elongation or cleavage sites. We investigated conformational distributions in the context of chain elongation and disassembly using pulsed electron-electron double resonance spectroscopy in combination with molecular modeling. Analysis of the conformational space of diubiquitin revealed conformational selection or remodeling as mechanisms for chain recognition during elongation or hydrolysis, respectively. Chain elongation to tetraubiquitin increases the sampled conformational space, suggesting that a high intrinsic flexibility of K48-linked chains may contribute to efficient proteasomal degradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.

Science.gov (United States)

Hespen, Charles W; Bruegger, Joel J; Guo, Yirui; Marletta, Michael A

2018-06-15

Heme nitric oxide/oxygen sensing (H-NOX) domains are direct NO sensors that regulate a variety of biological functions in both bacteria and eukaryotes. Previous work on H-NOX proteins has shown that upon NO binding, a conformational change occurs along two glycine residues on adjacent helices (termed the glycine hinge). Despite the apparent importance of the glycine hinge, it is not fully conserved in all H-NOX domains. Several H-NOX sensors from the family Flavobacteriaceae contain a native alanine substitution in one of the hinge residues. In this work, the effect of the increased steric bulk within the Ala-Gly hinge on H-NOX function was investigated. The hinge in Kordia algicida OT-1 ( Ka H-NOX) is composed of A71 and G145. Ligand-binding properties and signaling function for this H-NOX were characterized. The variant A71G was designed to convert the hinge region of Ka H-NOX to the typical Gly-Gly motif. In activity assays with its cognate histidine kinase (HnoK), the wild type displayed increased signal specificity compared to A71G. Increasing titrations of unliganded A71G gradually inhibits HnoK autophosphorylation, while increasing titrations of unliganded wild type H-NOX does not inhibit HnoK. Crystal structures of both wild type and A71G Ka H-NOX were solved to 1.9 and 1.6 Å, respectively. Regions of H-NOX domains previously identified as involved in protein-protein interactions with HnoK display significantly higher b-factors in A71G compared to wild-type H-NOX. Both biochemical and structural data indicate that the hinge region controls overall conformational flexibility of the H-NOX, affecting NO complex formation and regulation of its HnoK.

320-nm Flexible Solution-Processed 2,7-dioctyl[1] benzothieno[3,2-b]benzothiophene Transistors

OpenAIRE

Ren, Hang; Tang, Qingxin; Tong, Yanhong; Liu, Yichun

2017-01-01

Flexible organic thin-film transistors (OTFTs) have received extensive attention due to their outstanding advantages such as light weight, low cost, flexibility, large-area fabrication, and compatibility with solution-processed techniques. However, compared with a rigid substrate, it still remains a challenge to obtain good device performance by directly depositing solution-processed organic semiconductors onto an ultrathin plastic substrate. In this work, ultrathin flexible OTFTs are success...

Flexible and fragmentable tandem photosensitive nanocrystal skins

Science.gov (United States)

Akhavan, S.; Uran, C.; Bozok, B.; Gungor, K.; Kelestemur, Y.; Lesnyak, V.; Gaponik, N.; Eychmüller, A.; Demir, H. V.

2016-02-01

We proposed and demonstrated the first account of large-area, semi-transparent, tandem photosensitive nanocrystal skins (PNSs) constructed on flexible substrates operating on the principle of photogenerated potential buildup, which avoid the need for applying an external bias and circumvent the current-matching limitation between junctions. We successfully fabricated and operated the tandem PNSs composed of single monolayers of colloidal water-soluble CdTe and CdHgTe nanocrystals (NCs) in adjacent junctions on a Kapton polymer tape. Owing to the usage of a single NC layer in each junction, noise generation was significantly reduced while keeping the resulting PNS films considerably transparent. In each junction, photogenerated excitons are dissociated at the interface of the semi-transparent Al electrode and the NC layer, with holes migrating to the contact electrode and electrons trapped in the NCs. As a result, the tandem PNSs lead to an open-circuit photovoltage buildup equal to the sum of those of the two single junctions, exhibiting a total voltage buildup of 128.4 mV at an excitation intensity of 75.8 μW cm-2 at 350 nm. Furthermore, we showed that these flexible PNSs could be bent over 3.5 mm radius of curvature and cut out in arbitrary shapes without damaging the operation of individual parts and without introducing any significant loss in the total sensitivity. These findings indicate that the NC skins are promising as building blocks to make low-cost, flexible, large-area UV/visible sensing platforms with highly efficient full-spectrum conversion.We proposed and demonstrated the first account of large-area, semi-transparent, tandem photosensitive nanocrystal skins (PNSs) constructed on flexible substrates operating on the principle of photogenerated potential buildup, which avoid the need for applying an external bias and circumvent the current-matching limitation between junctions. We successfully fabricated and operated the tandem PNSs composed of

Multiple receptor conformers based molecular docking study of fluorine enhanced ethionamide with mycobacterium enoyl ACP reductase (InhA).

Science.gov (United States)

Khan, Akib Mahmud; Shawon, Jakaria; Halim, Mohammad A

2017-10-01

A major limitation in current molecular docking method is that of failure to account for receptor flexibility. Herein we report multiple receptor conformers based molecular docking as a practical alternative to account for the receptor flexibility. Multiple (forty) conformers of Mycobacterium Enoyl ACP Reductase (InhA) are generated from Molecular Dynamics simulation and twenty crystallographic structures of InhA bound to different inhibitors are obtained from the Protein Data Bank. Fluorine directed modifications are performed to currently available anti-tuberculosis drug ethionamide. The modified drugs are optimized using B3LYP 6-31G (d,p) level of theory. Dipole moment, frontier orbital gap and thermodynamical properties such as electronic energy, enthalpy and Gibbs free energy of these optimized drugs are investigated. These drugs are subsequently docked against the conformers of InhA. Molecular docking against multiple InhA conformations show variation in ligand binding affinity and suggest that Ser94, Gly96, Lys165 and Ile194 amino acids play critical role on strong drug-InhA interaction. Modified drug N1 showed greater binding affinity compared to EN in most conformations. Structure of PDB ID: 2NSD and snapshot conformer at 5.5ns show most favorable binding with N1 compared to other conformers. Fluorine participates in forming fluorine bonds and contributes significantly in increasing binding affinity. Our study reveal that addition of trifluoromethyl group explicitly shows promise in improving thermodynamic properties and in enhancing hydrogen bonding and non-bonded interactions. Molecular dynamics (MD) simulation show that EN and N1 remained in the binding pocket similar to the docked pose of EN-InhA and E1-InhA complexes and also suggested that InhA binds to its inhibitor in inhibitor-induced folding manner. ADMET calculations predict modified drugs to have improved pharmacokinetic properties. Our study concludes that multiple receptor conformers based

Medium-scale carbon nanotube thin-film integrated circuits on flexible plastic substrates.

Science.gov (United States)

Cao, Qing; Kim, Hoon-sik; Pimparkar, Ninad; Kulkarni, Jaydeep P; Wang, Congjun; Shim, Moonsub; Roy, Kaushik; Alam, Muhammad A; Rogers, John A

2008-07-24

The ability to form integrated circuits on flexible sheets of plastic enables attributes (for example conformal and flexible formats and lightweight and shock resistant construction) in electronic devices that are difficult or impossible to achieve with technologies that use semiconductor wafers or glass plates as substrates. Organic small-molecule and polymer-based materials represent the most widely explored types of semiconductors for such flexible circuitry. Although these materials and those that use films or nanostructures of inorganics have promise for certain applications, existing demonstrations of them in circuits on plastic indicate modest performance characteristics that might restrict the application possibilities. Here we report implementations of a comparatively high-performance carbon-based semiconductor consisting of sub-monolayer, random networks of single-walled carbon nanotubes to yield small- to medium-scale integrated digital circuits, composed of up to nearly 100 transistors on plastic substrates. Transistors in these integrated circuits have excellent properties: mobilities as high as 80 cm(2) V(-1) s(-1), subthreshold slopes as low as 140 m V dec(-1), operating voltages less than 5 V together with deterministic control over the threshold voltages, on/off ratios as high as 10(5), switching speeds in the kilohertz range even for coarse (approximately 100-microm) device geometries, and good mechanical flexibility-all with levels of uniformity and reproducibility that enable high-yield fabrication of integrated circuits. Theoretical calculations, in contexts ranging from heterogeneous percolative transport through the networks to compact models for the transistors to circuit level simulations, provide quantitative and predictive understanding of these systems. Taken together, these results suggest that sub-monolayer films of single-walled carbon nanotubes are attractive materials for flexible integrated circuits, with many potential areas of

Mass-independent area (or entropy) and thermodynamic volume products in conformal gravity

Science.gov (United States)

Pradhan, Parthapratim

2017-06-01

In this work, we investigate the thermodynamic properties of conformal gravity in four dimensions. We compute the area (or entropy) functional relation for this black hole (BH). We consider both de Sitter (dS) and anti-de Sitter (AdS) cases. We derive the Cosmic-Censorship-Inequality which is an important relation in general relativity that relates the total mass of a spacetime to the area of all the BH horizons. Local thermodynamic stability is studied by computing the specific heat. The second-order phase transition occurs at a certain condition. Various types of second-order phase structure have been given for various values of a and the cosmological constant Λ in the Appendix. When a = 0, one obtains the result of Schwarzschild-dS and Schwarzschild-AdS cases. In the limit aM ≪ 1, one obtains the result of Grumiller spacetime, where a is nontrivial Rindler parameter or Rindler acceleration and M is the mass parameter. The thermodynamic volume functional relation is derived in the extended phase space, where the cosmological constant is treated as a thermodynamic pressure and its conjugate variable as a thermodynamic volume. The mass-independent area (or entropy) functional relation and thermodynamic volume functional relation that we have derived could turn out to be a universal quantity.

The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space.

Science.gov (United States)

Towse, Clare-Louise; Akke, Mikael; Daggett, Valerie

2017-04-27

Molecular dynamics (MD) simulations contain considerable information with regard to the motions and fluctuations of a protein, the magnitude of which can be used to estimate conformational entropy. Here we survey conformational entropy across protein fold space using the Dynameomics database, which represents the largest existing data set of protein MD simulations for representatives of essentially all known protein folds. We provide an overview of MD-derived entropies accounting for all possible degrees of dihedral freedom on an unprecedented scale. Although different side chains might be expected to impose varying restrictions on the conformational space that the backbone can sample, we found that the backbone entropy and side chain size are not strictly coupled. An outcome of these analyses is the Dynameomics Entropy Dictionary, the contents of which have been compared with entropies derived by other theoretical approaches and experiment. As might be expected, the conformational entropies scale linearly with the number of residues, demonstrating that conformational entropy is an extensive property of proteins. The calculated conformational entropies of folding agree well with previous estimates. Detailed analysis of specific cases identifies deviations in conformational entropy from the average values that highlight how conformational entropy varies with sequence, secondary structure, and tertiary fold. Notably, α-helices have lower entropy on average than do β-sheets, and both are lower than coil regions.

A cross-cultural comparison of children's imitative flexibility.

Science.gov (United States)

Clegg, Jennifer M; Legare, Cristine H

2016-09-01

Recent research with Western populations has demonstrated that children use imitation flexibly to engage in both instrumental and conventional learning. Evidence for children's imitative flexibility in non-Western populations is limited, however, and has only assessed imitation of instrumental tasks. This study (N = 142, 6- to 8-year-olds) demonstrates both cultural continuity and cultural variation in imitative flexibility. Children engage in higher imitative fidelity for conventional tasks than for instrumental tasks in both an industrialized, Western culture (United States), and a subsistence-based, non-Western culture (Vanuatu). Children in Vanuatu engage in higher imitative fidelity of instrumental tasks than in the United States, a potential consequence of cultural variation in child socialization for conformity. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Quantitative characterization of conformational-specific protein-DNA binding using a dual-spectral interferometric imaging biosensor

Science.gov (United States)

Zhang, Xirui; Daaboul, George G.; Spuhler, Philipp S.; Dröge, Peter; Ünlü, M. Selim

2016-03-01

DNA-binding proteins play crucial roles in the maintenance and functions of the genome and yet, their specific binding mechanisms are not fully understood. Recently, it was discovered that DNA-binding proteins recognize specific binding sites to carry out their functions through an indirect readout mechanism by recognizing and capturing DNA conformational flexibility and deformation. High-throughput DNA microarray-based methods that provide large-scale protein-DNA binding information have shown effective and comprehensive analysis of protein-DNA binding affinities, but do not provide information of DNA conformational changes in specific protein-DNA complexes. Building on the high-throughput capability of DNA microarrays, we demonstrate a quantitative approach that simultaneously measures the amount of protein binding to DNA and nanometer-scale DNA conformational change induced by protein binding in a microarray format. Both measurements rely on spectral interferometry on a layered substrate using a single optical instrument in two distinct modalities. In the first modality, we quantitate the amount of binding of protein to surface-immobilized DNA in each DNA spot using a label-free spectral reflectivity technique that accurately measures the surface densities of protein and DNA accumulated on the substrate. In the second modality, for each DNA spot, we simultaneously measure DNA conformational change using a fluorescence vertical sectioning technique that determines average axial height of fluorophores tagged to specific nucleotides of the surface-immobilized DNA. The approach presented in this paper, when combined with current high-throughput DNA microarray-based technologies, has the potential to serve as a rapid and simple method for quantitative and large-scale characterization of conformational specific protein-DNA interactions.DNA-binding proteins play crucial roles in the maintenance and functions of the genome and yet, their specific binding mechanisms are

Increased Conformational Flexibility of a Macrocycle–Receptor Complex Contributes to Reduced Dissociation Rates

NARCIS (Netherlands)

Glas, Adrian; Wamhoff, Eike Christian; Krüger, Dennis M.; Rademacher, Christoph; Grossmann, Tom N.

2017-01-01

Constraining a peptide in its bioactive conformation by macrocyclization represents a powerful strategy to design modulators of challenging biomolecular targets. This holds particularly true for the development of inhibitors of protein-protein interactions which often involve interfaces lacking

Smoldering and Flame Resistant Textiles via Conformal Barrier Formation.

Science.gov (United States)

Zammarano, Mauro; Cazzetta, Valeria; Nazaré, Shonali; Shields, J Randy; Kim, Yeon Seok; Hoffman, Kathleen M; Maffezzoli, Alfonso; Davis, Rick

2016-12-07

A durable and flexible silicone-based backcoating (halogen free) is applied to the backside of an otherwise smoldering-prone and flammable fabric. When exposed to fire, cyclic siloxanes (produced by thermal decomposition of the backcoating) diffuse through the fabric in the gas phase. The following oxidation of the cyclic siloxanes forms a highly conformal and thermally stable coating that fully embeds all individual fibers and shields them from heat and oxidation. As a result, the combustion of the fabric is prevented. This is a novel fire retardant mechanism that discloses a powerful approach towards textiles and multifunctional flexible materials with combined smoldering/flaming ignition resistance and fire-barrier properties.

Large-area OLED lightings and their applications

International Nuclear Information System (INIS)

Park, J W; Shin, D C; Park, S H

2011-01-01

In this paper, we review the key issues related to the fabrication of large-area organic light-emitting devices (OLEDs) for lighting applications. We discuss the origin of a short-circuit problem, luminance non-uniformity, hot spot, efficiency reduction (power loss), and heat generation and present the way of suppressing them. We also introduce three different application areas of large-area OLED lighting panels. They can be integrated with a solar cell for power recycling or inorganic LEDs for emotional lightings. The feasibility of using OLEDs for the application of visible-light communications is also reviewed

The value of flexibility in conservation financing.

Science.gov (United States)

Lennox, Gareth D; Fargione, Joseph; Spector, Sacha; Williams, Gwyn; Armsworth, Paul R

2017-06-01

Land-acquisition strategies employed by conservation organizations vary in their flexibility. Conservation-planning theory largely fails to reflect this by presenting models that are either extremely inflexible-parcel acquisitions are irreversible and budgets are fixed-or extremely flexible-previously acquired parcels can readily be sold. This latter approach, the selling of protected areas, is infeasible or problematic in many situations. We considered the value to conservation organizations of increasing the flexibility of their land-acquisition strategies through their approach to financing deals. Specifically, we modeled 2 acquisition-financing methods commonly used by conservation organizations: borrowing and budget carry-over. Using simulated data, we compared results from these models with those from an inflexible fixed-budget model and an extremely flexible selling model in which previous acquisitions could be sold to fund new acquisitions. We then examined 3 case studies of how conservation organizations use borrowing and budget carry-over in practice. Model comparisons showed that borrowing and budget carry-over always returned considerably higher rewards than the fixed-budget model. How they performed relative to the selling model depended on the relative conservation value of past acquisitions. Both the models and case studies showed that incorporating flexibility through borrowing or budget carry-over gives conservation organizations the ability to purchase parcels of higher conservation value than when budgets are fixed without the problems associated with the selling of protected areas. © 2016 Society for Conservation Biology.

Flexible Polydimethylsiloxane Foams Decorated with Multiwalled Carbon Nanotubes Enable Unprecedented Detection of Ultralow Strain and Pressure Coupled with a Large Working Range.

Science.gov (United States)

Iglio, Rossella; Mariani, Stefano; Robbiano, Valentina; Strambini, Lucanos; Barillaro, Giuseppe

2018-04-25

Low-cost piezoresistive strain/pressure sensors with large working range, at the same time able to reliably detect ultralow strain (≤0.1%) and pressure (≤1 Pa), are one of the challenges that have still to be overcome for flexible piezoresistive materials toward personalized health-monitoring applications. In this work, we report on unprecedented, simultaneous detection of ultrasmall strain (0.1%, i.e., 10 μm displacement over 10 mm) and subtle pressure (20 Pa, i.e., a force of only 2 mN over an area of 1 cm 2 ) in compression mode, coupled with a large working range (i.e., up to 60% for strain-6 mm in displacement-and 50 kPa for pressure) using piezoresistive, flexible three-dimensional (3D) macroporous polydimethylsiloxane (pPDMS) foams decorated with pristine multiwalled carbon nanotubes (CNTs). pPDMS/CNT foams with pore size up to 500 μm (i.e., twice the size of those of commonly used foams, at least) and porosity of 77%, decorated with a nanostructured surface network of CNTs at densities ranging from 7.5 to 37 mg/cm 3 are prepared using a low-cost and scalable process, through replica molding of sacrificial sugar templates and subsequent drop-casting of CNT ink. A thorough characterization shows that piezoresistive properties of the foams can be finely tuned by controlling the CNT density and reach an optimum at a CNT density of 25 mg/cm 3 , for which a maximum change of the material resistivity (e.g., ρ 0 /ρ 50 = 4 at 50% strain) is achieved under compression. Further static and dynamic characterization of the pPDMS/CNT foams with 25 mg/cm 3 of CNTs highlights that detection limits for strain and pressure are 0.03% (3 μm displacement over 10 mm) and 6 Pa (0.6 mN over an area of 1 cm 2 ), respectively; moreover, good stability and limited hysteresis are apparent by cycling the foams with 255 compression-release cycles over the strain range of 0-60%, at different strain rates up to 10 mm/min. Our results on piezoresistive, flexible pPDMS/CNT foams

Influence of conformity on the wear of total knee replacement: An experimental study.

Science.gov (United States)

Brockett, Claire L; Carbone, Silvia; Fisher, John; Jennings, Louise M

2018-02-01

Wear of total knee replacement continues to be a significant factor influencing the clinical longevity of implants. Historically, failure due to delamination and fatigue directed design towards more conforming inserts to reduce contact stress. As new generations of more oxidatively stable polyethylene have been developed, more flexibility in bearing design has been introduced. The aim of this study was to investigate the effect of insert conformity on the wear performance of a fixed bearing total knee replacement through experimental simulation. Two geometries of insert were studied under standard gait conditions. There was a significant reduction in wear with reducing implant conformity. This study has demonstrated that bearing conformity has a significant impact on the wear performance of a fixed bearing total knee replacement, providing opportunities to improve clinical performance through enhanced material and design selection.

Large-area self-assembled reduced graphene oxide/electrochemically exfoliated graphene hybrid films for transparent electrothermal heaters

Science.gov (United States)

Sun, Hongyan; Chen, Ding; Ye, Chen; Li, Xinming; Dai, Dan; Yuan, Qilong; Chee, Kuan W. A.; Zhao, Pei; Jiang, Nan; Lin, Cheng-Te

2018-03-01

Graphene shows great promise as a high-efficiency electrothermal film for flexible transparent defoggers/defrosters. However, it remains a great challenge to achieve a good balance between the production cost and the properties of graphene films. Here, we proposed a cost-effective self-assembly method to fabricate high-performance, large-area graphene oxide/electrochemically exfoliated graphene hybrid films for heater applications. The self-assembled graphene hybrid films with the area of 20 × 20 cm2 could be transferred onto arbitrary substrates with nonplanar surfaces and simply patterned with the hard mask. After reduction by hydrogen iodide vapor followed by 800 °C thermal treatment, the hybrid films with the transmittance of 76.2% exhibit good heating characteristics and defogging performance, which reach a saturation temperature of up to 127.5 °C when 40 V was applied for 60 s.

Conformation radiotherapy with eccentric multi-leaves, (1)

International Nuclear Information System (INIS)

Obata, Yasunori; Sakuma, Sadayuki.

1986-01-01

In order to extend the application of the conformation radiotherapy, the eccentric multi-leaves are equipped with the linear accelerator. The information of the position of the collimators and the dose distribution of the eccentric conformation radiotherapy are calculated by the improved algorism of the treatment planning system. In simple cases, the dose distributions for the distant region from the rotational center are measured and compared with the calculated values. Both distributions are well coincided with the error of about 5 % in the high dose region and 10 % in the low dose region. In eccentric conformation radiotherapy, it is difficult to deliver the planned dose to the lesion. The dose increases with the distance of the target area from the rotational center. And the measured value and the calculated value are well coincided with 1 % error. So after getting the dose ratio of the rotational center to the target area, the calculated dose can be delivered to the rotational center. The advantages of the eccentric conformation radiotherapy are a good coincidence of target area and treated area, a partial shielding and a hollow out technique without absorber. The limitation of the movement of the collimator from center is 5 cm at 1 m SCD. (author)

Extremely flexible nanoscale ultrathin body silicon integrated circuits on plastic.

Science.gov (United States)

Shahrjerdi, Davood; Bedell, Stephen W

2013-01-09

In recent years, flexible devices based on nanoscale materials and structures have begun to emerge, exploiting semiconductor nanowires, graphene, and carbon nanotubes. This is primarily to circumvent the existing shortcomings of the conventional flexible electronics based on organic and amorphous semiconductors. The aim of this new class of flexible nanoelectronics is to attain high-performance devices with increased packing density. However, highly integrated flexible circuits with nanoscale transistors have not yet been demonstrated. Here, we show nanoscale flexible circuits on 60 Å thick silicon, including functional ring oscillators and memory cells. The 100-stage ring oscillators exhibit the stage delay of ~16 ps at a power supply voltage of 0.9 V, the best reported for any flexible circuits to date. The mechanical flexibility is achieved by employing the controlled spalling technology, enabling the large-area transfer of the ultrathin body silicon devices to a plastic substrate at room temperature. These results provide a simple and cost-effective pathway to enable ultralight flexible nanoelectronics with unprecedented level of system complexity based on mainstream silicon technology.

Dilogarithm identities in conformal field theory

International Nuclear Information System (INIS)

Nahm, W.; Recknagel, A.; Terhoeven, M.

1992-11-01

Dilogarithm identities for the central charges and conformal dimensions exist for at least large classes of rational conformally invariant quantum field theories in two dimensions. In many cases, proofs are not yet known but the numerical and structural evidence is convincing. In particular, close relations exist to fusion rules and partition identities. We describe some examples and ideas, and present conjectures useful for the classification of conformal theories. The mathematical structures seem to be dual to Thurston's program for the classification of 3-manifolds. (orig.)

Squaraine rotaxanes with boat conformation macrocycles.

Science.gov (United States)

Fu, Na; Baumes, Jeffrey M; Arunkumar, Easwaran; Noll, Bruce C; Smith, Bradley D

2009-09-04

Mechanical encapsulation of fluorescent, deep-red bis(anilino)squaraine dyes inside Leigh-type tetralactam macrocycles produces interlocked squaraine rotaxanes. The surrounding macrocycles are flexible and undergo rapid exchange of chair and boat conformations in solution. A series of X-ray crystal structures show how the rotaxane co-conformational exchange process involves simultaneous lateral oscillation of the macrocycle about the center of the encapsulated squaraine thread. Rotaxane macrocycles with 1,4-phenylene sidewalls and 2,6-pyridine dicarboxamide bridging units are more likely to adopt boat conformations in the solid state than analogous squaraine rotaxane systems with isophthalamide-containing macrocycles. A truncated squaraine dye, with a secondary amine attached directly to the central C(4)O(2) core, is less electrophilic than the extended bis(anilino)squaraine analogue, but it is still susceptible to chemical and photochemical bleaching. Its stability is greatly enhanced when it is encapsulated as an interlocked squaraine rotaxane. An X-ray crystal structure of this truncated squaraine rotaxane shows the macrocycle in a boat conformation, and NMR studies indicate that the boat is maintained in solution. Encapsulation as a rotaxane increases the dye's brightness by a factor of 6. The encapsulation process appears to constrain the dye and reduce deformation of the chromophore from planarity. This study shows how mechanical encapsulation as a rotaxane can be used as a rational design parameter to fine-tune the chemical and photochemical properties of squaraine dyes.

Magnetic Carpet Probe for Large Area Instant Crack/Corrosion Detection and Health Monitoring

International Nuclear Information System (INIS)

Sun Yushi; Ouyang Tianhe; Yang Xinle; Zhu Haiou

2007-01-01

Recently a new NDE tool, Magnet Carpet Probe (MCP), has been developed by Innovative Materials Testing Technologies, Inc. supported by FAA to meet the demands of large area crack/corrosion detection and health monitoring. MCP is a two-dimensional coil array built on a piece of very thin flexible printed circuit board. A two-dimensional electromagnetic scan is going on within the MCP placed on top of a metallic surface under inspection. Therefore, one can finish the inspection, without moving anything, and see the crack/corrosion identification image on the instrument screen in a few second. Recent test results show that it can detect 0.030 x 0.016'' EDM notches on a Titanium standard; 0.024'' ∼ 0.036: real cracks on titanium standards, as well as penetrate through a 0.040'' aluminum layer for corrosion detection

MILDOS-AREA: An enhanced version of MILDOS for large-area sources

International Nuclear Information System (INIS)

Yuan, Y.C.; Wang, J.H.C.; Zielen, A.

1989-06-01

The MILDOS-AREA computer code is a modified version of the MILDOS code, which estimates the radiological impacts of airborne emissions from uranium mining and milling facilities or any other large-area source involving emissions of radioisotopes of the uranium-238 series. MILDOS-AREA is designed for execution on personal computers. The modifications incorporated in the MILDOS-AREA code provide enhanced capabilities for calculating doses from large-area sources and update dosimetry calculations. The major revision from the original MILDOS code is the treatment of atmospheric dispersion from area sources: MILDOS-AREA substitutes a finite element integration approach for the virtual-point method (the algorithm used in the original MILDOS code) when specified by the user. Other revisions include the option of using Martin-Tickvart dispersion coefficients in place of Briggs coefficients for a given source, consideration of plume reflection, and updated internal dosimetry calculations based on the most recent recommendations of the International Commission on Radiation Protection and the age-specific dose calculation methodology developed by Oak Ridge National Laboratory. This report also discusses changes in computer code structure incorporated into MILDOS-AREA, summarizes data input requirements, and provides instructions for installing and using the program on personal computers. 15 refs., 9 figs., 26 tabs

The European Large Area ISO Survey

DEFF Research Database (Denmark)

Oliver, S.; Rowan-Robinson, M.; Alexander, D.M.

2000-01-01

We describe the European Large Area ISO Survey (ELAIS). ELAIS was the largest single Open Time project conducted by ISO, mapping an area of 12 deg(2) at 15 mu m with ISOCAM and at 90 mu m with ISOPHOT. Secondary surveys in other ISO bands were undertaken by the ELAIS team within the fields of the...

SimShiftDB; local conformational restraints derived from chemical shift similarity searches on a large synthetic database

Energy Technology Data Exchange (ETDEWEB)

Ginzinger, Simon W. [Center of Applied Molecular Engineering, University of Salzburg, Department of Molecular Biology, Division of Bioinformatics (Austria)], E-mail: simon@came.sbg.ac.at; Coles, Murray [Max-Planck-Institute for Developmental Biology, Department of Protein Evolution (Germany)], E-mail: Murray.Coles@tuebingen.mpg.de

2009-03-15

We present SimShiftDB, a new program to extract conformational data from protein chemical shifts using structural alignments. The alignments are obtained in searches of a large database containing 13,000 structures and corresponding back-calculated chemical shifts. SimShiftDB makes use of chemical shift data to provide accurate results even in the case of low sequence similarity, and with even coverage of the conformational search space. We compare SimShiftDB to HHSearch, a state-of-the-art sequence-based search tool, and to TALOS, the current standard tool for the task. We show that for a significant fraction of the predicted similarities, SimShiftDB outperforms the other two methods. Particularly, the high coverage afforded by the larger database often allows predictions to be made for residues not involved in canonical secondary structure, where TALOS predictions are both less frequent and more error prone. Thus SimShiftDB can be seen as a complement to currently available methods.

SimShiftDB; local conformational restraints derived from chemical shift similarity searches on a large synthetic database

International Nuclear Information System (INIS)

Ginzinger, Simon W.; Coles, Murray

2009-01-01

We present SimShiftDB, a new program to extract conformational data from protein chemical shifts using structural alignments. The alignments are obtained in searches of a large database containing 13,000 structures and corresponding back-calculated chemical shifts. SimShiftDB makes use of chemical shift data to provide accurate results even in the case of low sequence similarity, and with even coverage of the conformational search space. We compare SimShiftDB to HHSearch, a state-of-the-art sequence-based search tool, and to TALOS, the current standard tool for the task. We show that for a significant fraction of the predicted similarities, SimShiftDB outperforms the other two methods. Particularly, the high coverage afforded by the larger database often allows predictions to be made for residues not involved in canonical secondary structure, where TALOS predictions are both less frequent and more error prone. Thus SimShiftDB can be seen as a complement to currently available methods

An experimental study on the key fretting variables for flexible marine risers

OpenAIRE

O’Halloran, S.M.; Harte, A.M.; Shipway, P.H.; Leen, S.B.

2018-01-01

This paper presents an experimental investigation into the effects of contact conformity, contact pressure and displacement amplitude on the gross-slip fretting behaviour grease-lubricated cylinder-on-flat contacts in the context of flexible marine riser pressure armour wire, and compares behaviour with that observed in unlubricated conditions. Characterisation of friction and wear is critical to fretting fatigue life prediction in flexible risers since friction directly controls trailing-edg...

A Flexible, Grid-Enabled Web Portal for GROMACS Molecular Dynamics Simulations

NARCIS (Netherlands)

van Dijk, Marc; Wassenaar, Tsjerk A; Bonvin, Alexandre M J J

2012-01-01

Molecular dynamics simulations are becoming a standard part of workflows in structural biology. They are used for tasks as diverse as assessing molecular flexibility, probing conformational changes, assessing the impact of mutations, or gaining information about molecular interactions. However,

A flexible, grid-enabled web portal for GROMACS molecular dynamics simulations

NARCIS (Netherlands)

van Dijk, M.; Wassenaar, T.A.; Bonvin, A.M.J.J.

2012-01-01

Molecular dynamics simulations are becoming a standard part of workflows in structural biology. They are used for tasks as diverse as assessing molecular flexibility, probing conformational changes, assessing the impact of mutations, or gaining information about molecular interactions. However,

Dual conformal transformations of smooth holographic Wilson loops

Energy Technology Data Exchange (ETDEWEB)

Dekel, Amit [Nordita, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden)

2017-01-19

We study dual conformal transformations of minimal area surfaces in AdS{sub 5}×S{sup 5} corresponding to holographic smooth Wilson loops and some other related observables. To act with dual conformal transformations we map the string solutions to the dual space by means of T-duality, then we apply a conformal transformation and finally T-dualize back to the original space. The transformation maps between string solutions with different boundary contours. The boundary contours of the minimal surfaces are not mapped back to the AdS boundary, and the regularized area of the surface changes.

Applications of large-area nanopatterning to energy generation and storage devices

Science.gov (United States)

Mills, Eric N.

This dissertation encompasses the creation and testing of nanostructured, electrochemically-active energy generation and storage devices, and development of the associated fabrication techniques. The fabricated devices include nanopatterned, plasmonically-active, TiO2+Au thin films for Photocatalytic Water Splitting (PCW), TiO2-based Dye-Sensitized Solar Cells (DSSCs) incorporating nanopatterned, plasmonically-active metallic front electrodes, and Si nanopillar anodes for Li-ion batteries. Techniques were also developed for encapsulation and removal of wet-etched Si nanowires from their mother substrates. TiO2 was the first material to be widely used for PCW. Its use is hampered by its large bandgap (~3.2eV), and poor recombination lifetimes. Au nanoparticles (NPs) have been previously used to improve recombination lifetimes in TiO2 by separating photogenerated carriers near the NP edges, and to increase photocurrents by injecting plasmonically-excited hot electrons into the TiO2 conduction band. Using nanostructured TiO 2+Au electrodes, we aim to increase the PCW efficiency of TiO2 -based electrodes. Dye-sensitized solar cells (DSSCs) employ visible-absorbing dyes anchored to a high-surface-area semiconducting scaffold. The front transparent conducting electrode (TCE) is typically ITO, a scarce and expensive material. We aim to increase the efficiency of thin-film DSSCs and eliminate the use of ITO by using a metallic subwavelength array (MESH) of nanoholes as the front TCE. Silicon holds promise as a high-capacity anode material for Li-ion batteries, as it can store ~10x the Li of graphite, the current leading anode material (3569 vs. 372 mAh/g). However, Si undergoes dramatic (>300%) volume expansion upon "lithiation", pulverizing any structure with non-nanoscopic dimensions (>250nm). We created large-area arrays of "nanopillars" with sub-100nm diameters, using roll-to-roll-compatible flexible-mold NIL on commercially-available metal substrates. Ordered

Conformal field theories and tensor categories. Proceedings

Energy Technology Data Exchange (ETDEWEB)

Bai, Chengming [Nankai Univ., Tianjin (China). Chern Institute of Mathematics; Fuchs, Juergen [Karlstad Univ. (Sweden). Theoretical Physics; Huang, Yi-Zhi [Rutgers Univ., Piscataway, NJ (United States). Dept. of Mathematics; Kong, Liang [Tsinghua Univ., Beijing (China). Inst. for Advanced Study; Runkel, Ingo; Schweigert, Christoph (eds.) [Hamburg Univ. (Germany). Dept. of Mathematics

2014-08-01

First book devoted completely to the mathematics of conformal field theories, tensor categories and their applications. Contributors include both mathematicians and physicists. Some long expository articles are especially suitable for beginners. The present volume is a collection of seven papers that are either based on the talks presented at the workshop ''Conformal field theories and tensor categories'' held June 13 to June 17, 2011 at the Beijing International Center for Mathematical Research, Peking University, or are extensions of the material presented in the talks at the workshop. These papers present new developments beyond rational conformal field theories and modular tensor categories and new applications in mathematics and physics. The topics covered include tensor categories from representation categories of Hopf algebras, applications of conformal field theories and tensor categories to topological phases and gapped systems, logarithmic conformal field theories and the corresponding non-semisimple tensor categories, and new developments in the representation theory of vertex operator algebras. Some of the papers contain detailed introductory material that is helpful for graduate students and researchers looking for an introduction to these research directions. The papers also discuss exciting recent developments in the area of conformal field theories, tensor categories and their applications and will be extremely useful for researchers working in these areas.

Conformal field theories and tensor categories. Proceedings

International Nuclear Information System (INIS)

Bai, Chengming; Fuchs, Juergen; Huang, Yi-Zhi; Kong, Liang; Runkel, Ingo; Schweigert, Christoph

2014-01-01

First book devoted completely to the mathematics of conformal field theories, tensor categories and their applications. Contributors include both mathematicians and physicists. Some long expository articles are especially suitable for beginners. The present volume is a collection of seven papers that are either based on the talks presented at the workshop ''Conformal field theories and tensor categories'' held June 13 to June 17, 2011 at the Beijing International Center for Mathematical Research, Peking University, or are extensions of the material presented in the talks at the workshop. These papers present new developments beyond rational conformal field theories and modular tensor categories and new applications in mathematics and physics. The topics covered include tensor categories from representation categories of Hopf algebras, applications of conformal field theories and tensor categories to topological phases and gapped systems, logarithmic conformal field theories and the corresponding non-semisimple tensor categories, and new developments in the representation theory of vertex operator algebras. Some of the papers contain detailed introductory material that is helpful for graduate students and researchers looking for an introduction to these research directions. The papers also discuss exciting recent developments in the area of conformal field theories, tensor categories and their applications and will be extremely useful for researchers working in these areas.

Chain conformational and physicochemical properties of fucoidans from sea cucumber.

Science.gov (United States)

Xu, Xiaoqi; Xue, Changhu; Chang, Yaoguang; Wang, Jun; Jiang, Kunhao

2016-11-05

Although fucoidans from sea cucumber (SC-FUCs) have been proven as potential bioactive polysaccharides and functional food ingridents, their chain conformation and physicochemical properties were still poorly understood. This study investigated the chain conformation of fucoidans from sea cucumber Acaudina molpadioides (Am-FUC), Isostichopus badionotus (Ib-FUC) and Apostichopus japonicus (Aj-FUC), of which primary structure has been recently clarified. Chain conformation parameters demonstrated that studied SC-FUCs adopted random coil conformation in 150mM NaCl solution (pH 7.4). Based on the worm-like cylinder model and atomic force microscopy, the chain stiffness of SC-FUCs was further evaluated as Am-FUC≈Ib-FUC>Aj-FUC. It was suggested that the existence of branch structure increased the chain flexibility, while sulfated pattern exerted limited influence. SC-FUCs demonstrated shear-thinning rheological behavior and negative charge. Am-FUC possessed a higher thermostability than Ib-FUC and Aj-FUC. These results have important implications for understanding the molecular characteristics of SC-FUCs, which could facilitate their further application. Copyright © 2016 Elsevier Ltd. All rights reserved.

Experimental dosimetry in conformal breast teletherapy compared with the planning system

International Nuclear Information System (INIS)

Nogueira, Luciana Batista; Silva, Hugo Leonardo Lemos; Passos Ribeiro de Campos, Tarcísio

2015-01-01

The objective of this study was to compare and analyse the absorbed dose profiles from the conformal radiotherapy planning and experimental dosimetry taken in a breast anthropomorphic and anthropometric phantom. Conformal radiotherapy planning was elaborated in the Treatment Planning System (TPS). EBT2 Gafchromic radiochromic films were applied as dosimeters, positioned internally and superficially in the breast phantom. The standard radiation protocol was applied in the breast phantom. The films were digitalised, and their responses were analysed in RGB. The optical densities were processed, reproducing the spatial dose distribution. - Highlights: • Distributions of absorbed doses were generated by the TPS and measured by radiochromic films. • The breast phantom simulated a human breast in position for treatment. • A large portion of the glandular tissue absorbed doses that were equivalent to the radiotherapy planning. • There were regions of hot spots and small areas of under dosage in deeper areas at the lung interface

Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation

Science.gov (United States)

Hudson, Brian D.; George, Ashley R.; Ford, Martyn G.; Livingstone, David J.

1992-04-01

Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study.

Optimal Conformal Polynomial Projections for Croatia According to the Airy/Jordan Criterion

Directory of Open Access Journals (Sweden)

Dražen Tutić

2009-05-01

Full Text Available The paper describes optimal conformal polynomial projections for Croatia according to the Airy/Jordan criterion. A brief introduction of history and theory of conformal mapping is followed by descriptions of conformal polynomial projections and their current application. The paper considers polynomials of degrees 1 to 10. Since there are conditions in which the 1st degree polynomial becomes the famous Mercator projection, it was not considered specifically for Croatian territory. The area of Croatia was defined as a union of national territory and the continental shelf. Area definition data were taken from the Euro Global Map 1:1 000 000 for Croatia, as well as from two maritime delimitation treaties. Such an irregular area was approximated with a regular grid consisting of 11 934 ellipsoidal trapezoids 2' large. The Airy/Jordan criterion for the optimal projection is defined as minimum of weighted mean of Airy/Jordan measure of distortion in points. The value of the Airy/Jordan criterion is calculated from all 11 934 centres of ellipsoidal trapezoids, while the weights are equal to areas of corresponding ellipsoidal trapezoids. The minimum is obtained by Nelder and Mead’s method, as implemented in the fminsearch function of the MATLAB package. Maps of Croatia representing the distribution of distortions are given for polynomial degrees 2 to 6 and 10. Increasing the polynomial degree results in better projections considering the criterion, and the 6th degree polynomial provides a good ratio of formula complexity and criterion value.

Isomers and conformational barriers of gas phase nicotine, nornicotine and their protonated forms

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Tomoki; Farone, William A.; Xantheas, Sotiris S.

2014-07-17

We report extensive conformational searches of the neutral nicotine, nornicotine and their protonated analogs that are based on ab-initio second order Møller-Plesset perturbation (MP2) electronic structure calculations. Initial searches were performed with the 6-31G(d,p) and the energetics of the most important structures were further refined from geometry optimizations with the aug-cc-pVTZ basis set. Based on the calculated free energies at T=298 K for the gas phase molecules, neutral nicotine has two dominant trans conformers, whereas neutral nornicotine is a mixture of several conformers. For nicotine, the protonation on both the pyridine and the pyrrolidine sites is energetically competitive, whereas nornicotine prefers protonation on the pyridine nitrogen. The protonated form of nicotine is mainly a mixture of two pyridine-protonated trans conformers and two pyrrolidine-protonated trans conformers, whereas the protonated form of nornicotine is a mixture of four pyridine-protonated trans conformers. Nornicotine is conformationally more flexible than nicotine, however it is less protonated at the biologically important pyrrolidine nitrogen site. The lowest energy isomers for each case were found to interconvert via low (< 6 kcal/mol) rotational barriers around the pyridine-pyrrolidine bond.

Flexible pressure and proximity sensor surfaces manufactured with organic materials

NARCIS (Netherlands)

Fattori, M.; Cantatore, E.; Pauer, G.; Agostinelli, T.; Stadlober, B.; Gold, H.

2017-01-01

This paper presents the design of two large-Area active matrixes on foil for pressure and proximity sensing applications. Frontend circuits based on organic thin-film transistors on foil are laminated with screen-printed PDVF-TrFE piezo and pyro sensors to create the complete flexible sensing

Modulation of Amyloid-β Conformation by Charge State of N-Terminal Disordered Region

International Nuclear Information System (INIS)

Xi Wen-Hui; Li Wen-Fei; Wang Wei

2012-01-01

Based on molecular dynamics simulations, we show that variations of the charge states of the histidines, which are the main effects of pH-value change and metal binding, can lead to a drastic change of the intra-peptide interactions of the segment 17–42 and the conformational distribution of the monomeric amyloid-β (Aβ). Since we already knew that the conformational distribution of monomeric Aβ can largely affect Aβ fibrillar aggregation, our results suggest that the pH value change and metal binding can affect the Aβ aggregation by much more complex mechanism than just affecting the inter-peptide interactions. To fully understand the mechanism of metal binding and pH-value induced Aβ aggregation, we also need to consider their effects on the conformational distribution of monomeric Aβ. (cross-disciplinary physics and related areas of science and technology)

Flexible, wearable, and functional graphene-textile composites

Science.gov (United States)

Liu, Ying; Zhang, Kun-Ning; Zhang, Ying; Tao, Lu-Qi; Li, Yu-Xing; Wang, Dan-Yang; Yang, Yi; Ren, Tian-Ling

2017-06-01

In this paper, a flexible, wearable, and functional graphene-textile composite is demonstrated. Laser scribing technology is applied to fabricate a graphene film. The thin layer of polydimethylsiloxane is covered on the surface of the graphene-textile film evenly, which would improve the abrasive resistance of the film, enhance the ability to adapt to environmental changes, and extend the service life, while maintaining the device's excellent flexibility and comfort. The graphene-textile composite can achieve constant temperature heating by controlling the input voltage, detect the human movement, and perceive the human pulse signal. The composite presents great commercial prospects and a large value in the medical, daily wear, and other areas that are closely related to human lives.

The Relationship between Self-Assembly and Conformal Mappings

Science.gov (United States)

Duque, Carlos; Santangelo, Christian

The isotropic growth of a thin sheet has been used as a way to generate programmed shapes through controlled buckling. We discuss how conformal mappings, which are transformations that locally preserve angles, provide a way to quantify the area growth needed to produce a particular shape. A discrete version of the conformal map can be constructed from circle packings, which are maps between packings of circles whose contact network is preserved. This provides a link to the self-assembly of particles on curved surfaces. We performed simulations of attractive particles on a curved surface using molecular dynamics. The resulting particle configurations were used to generate the corresponding discrete conformal map, allowing us to quantify the degree of area distortion required to produce a particular shape by finding particle configurations that minimize the area distortion.

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

International Nuclear Information System (INIS)

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–O 2 ) 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–O 2 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°. (paper)

High-flexibility, noncollapsing lightweight hose

Science.gov (United States)

Williams, D.A.

1993-04-20

A high-flexibility, noncollapsing, lightweight, large-bore, wire-reinforced hose is inside fiber-reinforced PVC tubing that is flexible, lightweight, and abrasion resistant. It provides a strong, kink- and collapse-free conduit for moving large quantities of dangerous fluids, e.g., removing radioactive waste water or processing chemicals.

Three-dimensional, flexible graphene bioelectronics.

Science.gov (United States)

Chun, SungGyu; Choi, Jonghyun; Ashraf, Ali; Nam, SungWoo

2014-01-01

We report 3-dimensional (3D) graphene-based biosensors fabricated via 3D transfer of monolithic graphene-graphite structures. This mechanically flexible all-carbon structure is a prospective candidate for intimate 3D interfacing with biological systems. Monolithic graphene-graphite structures were synthesized using low pressure chemical vapor deposition (LPCVD) process relying on the heterostructured metal catalyst layers. Nonplanar substrates and wet-transfer method were used with a thin Au film as a transfer layer to achieve the 3D graphene structure. Instead of the typical wet-etching method, vapor-phase etching was performed to minimize the delamination of the graphene while removing the transfer layer. We believe that the monolithic graphene-graphite synthesis combined with the conformal 3D transfer will pave the way for the 3D conformal sensing capability as well as the intracellular recording of living cells in the future.

Bioinspired legged-robot based on large deformation of flexible skeleton

International Nuclear Information System (INIS)

Mayyas, Mohammad

2014-01-01

In this article we present STARbot, a bioinspired legged robot capable of multiple locomotion modalities by using large deformation of its skeleton. We construct STARbot by using origami-style folding of flexible laminates. The long-term goal is to provide a robotic platform with maximum mobility on multiple surfaces. This paper particularly studies the quasistatic model of STARbot’s leg under different conditions. We describe the large elastic deformation of a leg under external force, payload, and friction by using a set of non-dimensional, nonlinear approximate equations. We developed a test mechanism that models the motion of a leg in STARbot. We augmented several foot shapes and then tested them on soft to rough grounds. Both simulation and experimental findings were in good agreement. We utilized the model to develop several scales of tri and quad STARbot. We demonstrated the capability of these robots to locomote by combining their leg deformations with their foot motions. The combination provided a design platform for an active suspension STARbot with controlled foot locomotion. This included the ability of STARbot to change size, run over obstacles, walk and slide. Furthermore, in this paper we discuss a cost effective manufacturing and production method for manufacturing STARbot. (paper)

Bioinspired legged-robot based on large deformation of flexible skeleton.

Science.gov (United States)

Mayyas, Mohammad

2014-11-11

In this article we present STARbot, a bioinspired legged robot capable of multiple locomotion modalities by using large deformation of its skeleton. We construct STARbot by using origami-style folding of flexible laminates. The long-term goal is to provide a robotic platform with maximum mobility on multiple surfaces. This paper particularly studies the quasistatic model of STARbot's leg under different conditions. We describe the large elastic deformation of a leg under external force, payload, and friction by using a set of non-dimensional, nonlinear approximate equations. We developed a test mechanism that models the motion of a leg in STARbot. We augmented several foot shapes and then tested them on soft to rough grounds. Both simulation and experimental findings were in good agreement. We utilized the model to develop several scales of tri and quad STARbot. We demonstrated the capability of these robots to locomote by combining their leg deformations with their foot motions. The combination provided a design platform for an active suspension STARbot with controlled foot locomotion. This included the ability of STARbot to change size, run over obstacles, walk and slide. Furthermore, in this paper we discuss a cost effective manufacturing and production method for manufacturing STARbot.

Policy Driven Development: Flexible Policy Insertion for Large Scale Systems.

Science.gov (United States)

Demchak, Barry; Krüger, Ingolf

2012-07-01

The success of a software system depends critically on how well it reflects and adapts to stakeholder requirements. Traditional development methods often frustrate stakeholders by creating long latencies between requirement articulation and system deployment, especially in large scale systems. One source of latency is the maintenance of policy decisions encoded directly into system workflows at development time, including those involving access control and feature set selection. We created the Policy Driven Development (PDD) methodology to address these development latencies by enabling the flexible injection of decision points into existing workflows at runtime , thus enabling policy composition that integrates requirements furnished by multiple, oblivious stakeholder groups. Using PDD, we designed and implemented a production cyberinfrastructure that demonstrates policy and workflow injection that quickly implements stakeholder requirements, including features not contemplated in the original system design. PDD provides a path to quickly and cost effectively evolve such applications over a long lifetime.

Flexible Foam Model.

Energy Technology Data Exchange (ETDEWEB)

Neilsen, Michael K.; Lu, Wei-Yang; Werner, Brian T.; Scherzinger, William M.; Lo, Chi S.

2018-03-01

Experiments were performed to characterize the mechanical response of a 15 pcf flexible polyurethane foam to large deformation at different strain rates and temperatures. Results from these experiments indicated that at room temperature, flexible polyurethane foams exhibit significant nonlinear elastic deformation and nearly return to their original undeformed shape when unloaded. However, when these foams are cooled to temperatures below their glass transition temperature of approximately -35 o C, they behave like rigid polyurethane foams and exhibit significant permanent deformation when compressed. Thus, a new model which captures this dramatic change in behavior with temperature was developed and implemented into SIERRA with the name Flex_Foam to describe the mechanical response of both flexible and rigid foams to large deformation at a variety of temperatures and strain rates. This report includes a description of recent experiments. Next, development of the Flex Foam model for flexible polyurethane and other flexible foams is described. Selection of material parameters are discussed and finite element simulations with the new Flex Foam model are compared with experimental results to show behavior that can be captured with this new model.

Enhancing light emission in flexible AC electroluminescent devices by tetrapod-like zinc oxide whiskers.

Science.gov (United States)

Wen, Li; Liu, Nishuang; Wang, Siliang; Zhang, Hui; Zhao, Wanqiu; Yang, Zhichun; Wang, Yumei; Su, Jun; Li, Luying; Long, Fei; Zou, Zhengguang; Gao, Yihua

2016-10-03

Flexible alternating current electroluminescent devices (ACEL) are more and more popular and widely used in liquid-crystal display back-lighting, large-scale architectural and decorative lighting due to their uniform light emission, low power consumption and high resolution. However, presently how to acquire high brightness under a certain voltage are confronted with challenges. Here, we demonstrate an electroluminescence (EL) enhancing strategy that tetrapod-like ZnO whiskers (T-ZnOw) are added into the bottom electrode of carbon nanotubes (CNTs) instead of phosphor layer in flexible ACEL devices emitting blue, green and orange lights, and the brightness is greatly enhanced due to the coupling between the T-ZnOw and ZnS phosphor dispersed in the flexible polydimethylsiloxane (PDMS) layer. This strategy provides a new routine for the development of high performance, flexible and large-area ACEL devices.

Development of Low Density, Flexible Carbon Phenolic Ablators

Science.gov (United States)

Stackpoole, Mairead; Thornton, Jeremy; Fan, Wendy; Covington, Alan; Doxtad, Evan; Beck, Robin; Gasch, Matt; Arnold, Jim

2012-01-01

Phenolic Impregnated Carbon Ablator (PICA) was the enabling TPS material for the Stardust mission where it was used as a single piece heatshield. PICA has the advantages of low density (approximately 0.27 grams per cubic centimeter) coupled with efficient ablative capability at high heat fluxes. Due to its brittle nature and low strain to failure recent efforts at NASA ARC have focused on alternative architectures to yield flexible and more conformal carbon phenolic materials with comparable densities to PICA. This presentation will discuss flexible alternatives to PICA and include preliminary mechanical and thermal properties as well as recent arc jet and LHMEL screening test results.

Manufacture of axially insulated large-area diodes

International Nuclear Information System (INIS)

Ma Weiyi; Zhou Kungang; Wang Youtian; Zhang Dong; Shan Yusheng; Wang Naiyan

1999-01-01

The author describes the design and construction of the axially insulated large-area diodes used in the 'Heaven-1'. The four axially insulated large-area diodes are connected to the 10 ohm pulse transmission lines via the vacuum feed through tubes. The experimental results with the diodes are given. The diodes can steadily work at the voltage of 650 kV, and the diode current density is about 80 A per cm 2 with a pulse width of 220 ns. The electron beams with a total energy of 25 kJ are obtained

Noise Pulses in Large Area Optical Modules

International Nuclear Information System (INIS)

Aiello, Sebastiano; Leonora, Emanuele; Giordano, Valentina

2013-06-01

A great number of large area photomultipliers are widely used in neutrino and astro-particle detector to measure Cherenkov light in medium like water or ice. The key element of these detectors are the so-called 'optical module', which consist in photodetectors closed in a transparent pressure-resistant container to protect it and ensure good light transmission. The noise pulses present on the anode of each photomultiplier affect strongly the performance of the detector. A large study was conducted on noise pulses of large area photomultipliers, considering time and charge distributions of dark pulses, prepulses, delayed pulses, and after pulses. The contribution to noise pulses due to the presence of the external glass spheres was also studied, even comparing two vessels of different brands. (authors)

Preserving Medieval Farm Mounds in a Large Stormwater Retention Area

NARCIS (Netherlands)

Vorenhout, M.

2016-01-01

The Netherlands has denoted large areas as stormwater retention areas. These areas function as temporary storage locations for stormwater when rivers cannot cope with the amount of water. A large area, the Onlanden — 2,500 hectares — was developed as such a storage area between 2008 and 2013. This

High performance high-κ/metal gate complementary metal oxide semiconductor circuit element on flexible silicon

KAUST Repository

Sevilla, Galo T.

2016-02-29

Thinned silicon based complementary metal oxide semiconductor(CMOS)electronics can be physically flexible. To overcome challenges of limited thinning and damaging of devices originated from back grinding process, we show sequential reactive ion etching of silicon with the assistance from soft polymeric materials to efficiently achieve thinned (40 μm) and flexible (1.5 cm bending radius) silicon based functional CMOSinverters with high-κ/metal gate transistors. Notable advances through this study shows large area of silicon thinning with pre-fabricated high performance elements with ultra-large-scale-integration density (using 90 nm node technology) and then dicing of such large and thinned (seemingly fragile) pieces into smaller pieces using excimer laser. The impact of various mechanical bending and bending cycles show undeterred high performance of flexible siliconCMOSinverters. Future work will include transfer of diced silicon chips to destination site, interconnects, and packaging to obtain fully flexible electronic systems in CMOS compatible way.

Flexible strip supercapacitors for future energy storage

OpenAIRE

Zhang, R-R; Xu, Y-M; Harrison, D; Fyson, J; Qiu, F-L; Southee, D

2015-01-01

Flexible strip supercapacitors are developed and their electrochemical properties are characterized. Activated carbon is used as the electrode material and it is found to have a good porous structure which provides a large surface area for energy storage. Furthermore, this activated carbon performs well. The manufacturing processes for the supercapacitors are described in detail and the preparation process has good reproducibility. The strip supercapacitors are combined in series and parallel...

Roll-to-Roll printed large-area all-polymer solar cells with 5% efficiency based on a low crystallinity conjugated polymer blend

Science.gov (United States)

Gu, Xiaodan; Zhou, Yan; Gu, Kevin; Kurosawa, Tadanori; Yan, Hongping; Wang, Cheng; Toney, Micheal; Bao, Zhenan

The challenge of continuous printing in high efficiency large-area organic solar cells is a key limiting factor for their widespread adoption. We present a materials design concept for achieving large-area, solution coated all-polymer bulk heterojunction (BHJ) solar cells with stable phase separation morphology between the donor and acceptor. The key concept lies in inhibiting strong crystallization of donor and acceptor polymers, thus forming intermixed, low crystallinity and mostly amorphous blends. Based on experiments using donors and acceptors with different degree of crystallinity, our results showed that microphase separated donor and acceptor domain sizes are inversely proportional to the crystallinity of the conjugated polymers. This methodology of using low crystallinity donors and acceptors has the added benefit of forming a consistent and robust morphology that is insensitive to different processing conditions, allowing one to easily scale up the printing process from a small scale solution shearing coater to a large-scale continuous roll-to-roll (R2R) printer. We were able to continuously roll-to-roll slot die print large area all-polymer solar cells with power conversion efficiencies of 5%, with combined cell area up to 10 cm2. This is among the highest efficiencies realized with R2R coated active layer organic materials on flexible substrate. DOE BRIDGE sunshot program. Office of Naval Research.

Effect of the Flexible Regions of the Oncoprotein Mouse Double Minute X on Inhibitor Binding Affinity.

Science.gov (United States)

Qin, Lingyun; Liu, Huili; Chen, Rong; Zhou, Jingjing; Cheng, Xiyao; Chen, Yao; Huang, Yongqi; Su, Zhengding

2017-11-07

The oncoprotein MdmX (mouse double minute X) is highly homologous to Mdm2 (mouse double minute 2) in terms of their amino acid sequences and three-dimensional conformations, but Mdm2 inhibitors exhibit very weak affinity for MdmX, providing an excellent model for exploring how protein conformation distinguishes and alters inhibitor binding. The intrinsic conformation flexibility of proteins plays pivotal roles in determining and predicting the binding properties and the design of inhibitors. Although the molecular dynamics simulation approach enables us to understand protein-ligand interactions, the mechanism underlying how a flexible binding pocket adapts an inhibitor has been less explored experimentally. In this work, we have investigated how the intrinsic flexible regions of the N-terminal domain of MdmX (N-MdmX) affect the affinity of the Mdm2 inhibitor nutlin-3a using protein engineering. Guided by heteronuclear nuclear Overhauser effect measurements, we identified the flexible regions that affect inhibitor binding affinity around the ligand-binding pocket on N-MdmX. A disulfide engineering mutant, N-MdmX C25-C110/C76-C88 , which incorporated two staples to rigidify the ligand-binding pocket, allowed an affinity for nutlin-3a higher than that of wild-type N-MdmX (K d ∼ 0.48 vs K d ∼ 20.3 μM). Therefore, this mutant provides not only an effective protein model for screening and designing of MdmX inhibitors but also a valuable clue for enhancing the intermolecular interactions of the pharmacophores of a ligand with pronounced flexible regions. In addition, our results revealed an allosteric ligand-binding mechanism of N-MdmX in which the ligand initially interacts with a compact core, followed by augmenting intermolecular interactions with intrinsic flexible regions. This strategy should also be applicable to many other protein targets to accelerate drug discovery.

Selection of candidate wells and optimization of conformance treatment design in the Barrancas Field using a 3D conformance simulator

Energy Technology Data Exchange (ETDEWEB)

Crosta, Dante; Elitseche, Luis [Repsol YPF (Argentina); Gutierrez, Mauricio; Ansah, Joe; Everett, Don [Halliburton Argentina S.A., Buenos Aires (Argentina)

2004-07-01

Minimizing the amount of unwanted water production is an important goal at the Barrancas field. This paper describes a selection process for candidate injection wells that is part of a pilot conformance project aimed at improving vertical injection profiles, reducing water cut in producing wells, and improving ultimate oil recovery from this field. The well selection process is based on a review of limited reservoir information available for this field to determine inter-well communications. The methodology focuses on the best use of available information, such as production and injection history, well intervention files, open hole logs and injectivity surveys. After the candidate wells were selected and potential water injection channels were identified, conformance treatment design and future performance of wells in the selected pilot area were evaluated using a new 3 -D conformance simulator, developed specifically for optimization of the design and placement of unwanted fluid shut-off treatments. Thus, when acceptable history match ing of the pilot area production was obtained, the 3 -D simulator was used to: evaluate the required volume of selected conformance treatment fluid; review expected pressures and rates during placement;. model temperature behavior; evaluate placement techniques, and forecast water cut reduction and incremental oil recovery from the producers in this simulated section of the pilot area. This paper outlines a methodology for selecting candidate wells for conformance treatments. The method involves application of several engineering tools, an integral component of which is a user-friendly conformance simulator. The use of the simulator has minimized data preparation time and allows the running of sensitivity cases quickly to explore different possible scenarios that best represent the reservoir. The proposed methodology provides an efficient means of identifying conformance problems and designing optimized solutions for these individual

Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

Directory of Open Access Journals (Sweden)

Tino Wolter

Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

Conformal field theory in conformal space

International Nuclear Information System (INIS)

Preitschopf, C.R.; Vasiliev, M.A.

1999-01-01

We present a new framework for a Lagrangian description of conformal field theories in various dimensions based on a local version of d + 2-dimensional conformal space. The results include a true gauge theory of conformal gravity in d = (1, 3) and any standard matter coupled to it. An important feature is the automatic derivation of the conformal gravity constraints, which are necessary for the analysis of the matter systems

Ras conformational switching: simulating nucleotide-dependent conformational transitions with accelerated molecular dynamics.

Directory of Open Access Journals (Sweden)

Barry J Grant

2009-03-01

Full Text Available Ras mediates signaling pathways controlling cell proliferation and development by cycling between GTP- and GDP-bound active and inactive conformational states. Understanding the complete reaction path of this conformational change and its intermediary structures is critical to understanding Ras signaling. We characterize nucleotide-dependent conformational transition using multiple-barrier-crossing accelerated molecular dynamics (aMD simulations. These transitions, achieved for the first time for wild-type Ras, are impossible to observe with classical molecular dynamics (cMD simulations due to the large energetic barrier between end states. Mapping the reaction path onto a conformer plot describing the distribution of the crystallographic structures enabled identification of highly populated intermediate structures. These structures have unique switch orientations (residues 25-40 and 57-75 intermediate between GTP and GDP states, or distinct loop3 (46-49, loop7 (105-110, and alpha5 C-terminus (159-166 conformations distal from the nucleotide-binding site. In addition, these barrier-crossing trajectories predict novel nucleotide-dependent correlated motions, including correlations of alpha2 (residues 66-74 with alpha3-loop7 (93-110, loop2 (26-37 with loop10 (145-151, and loop3 (46-49 with alpha5 (152-167. The interconversion between newly identified Ras conformations revealed by this study advances our mechanistic understanding of Ras function. In addition, the pattern of correlated motions provides new evidence for a dynamic linkage between the nucleotide-binding site and the membrane interacting C-terminus critical for the signaling function of Ras. Furthermore, normal mode analysis indicates that the dominant collective motion that occurs during nucleotide-dependent conformational exchange, and captured in aMD (but absent in cMD simulations, is a low-frequency motion intrinsic to the structure.

Printable organometallic perovskite enables large-area, low-dose X-ray imaging

Science.gov (United States)

Kim, Yong Churl; Kim, Kwang Hee; Son, Dae-Yong; Jeong, Dong-Nyuk; Seo, Ja-Young; Choi, Yeong Suk; Han, In Taek; Lee, Sang Yoon; Park, Nam-Gyu

2017-10-01

Medical X-ray imaging procedures require digital flat detectors operating at low doses to reduce radiation health risks. Solution-processed organic-inorganic hybrid perovskites have characteristics that make them good candidates for the photoconductive layer of such sensitive detectors. However, such detectors have not yet been built on thin-film transistor arrays because it has been difficult to prepare thick perovskite films (more than a few hundred micrometres) over large areas (a detector is typically 50 centimetres by 50 centimetres). We report here an all-solution-based (in contrast to conventional vacuum processing) synthetic route to producing printable polycrystalline perovskites with sharply faceted large grains having morphologies and optoelectronic properties comparable to those of single crystals. High sensitivities of up to 11 microcoulombs per air KERMA of milligray per square centimetre (μC mGyair-1 cm-2) are achieved under irradiation with a 100-kilovolt bremsstrahlung source, which are at least one order of magnitude higher than the sensitivities achieved with currently used amorphous selenium or thallium-doped cesium iodide detectors. We demonstrate X-ray imaging in a conventional thin-film transistor substrate by embedding an 830-micrometre-thick perovskite film and an additional two interlayers of polymer/perovskite composites to provide conformal interfaces between perovskite films and electrodes that control dark currents and temporal charge carrier transportation. Such an all-solution-based perovskite detector could enable low-dose X-ray imaging, and could also be used in photoconductive devices for radiation imaging, sensing and energy harvesting.

Printable organometallic perovskite enables large-area, low-dose X-ray imaging.

Science.gov (United States)

Kim, Yong Churl; Kim, Kwang Hee; Son, Dae-Yong; Jeong, Dong-Nyuk; Seo, Ja-Young; Choi, Yeong Suk; Han, In Taek; Lee, Sang Yoon; Park, Nam-Gyu

2017-10-04

Medical X-ray imaging procedures require digital flat detectors operating at low doses to reduce radiation health risks. Solution-processed organic-inorganic hybrid perovskites have characteristics that make them good candidates for the photoconductive layer of such sensitive detectors. However, such detectors have not yet been built on thin-film transistor arrays because it has been difficult to prepare thick perovskite films (more than a few hundred micrometres) over large areas (a detector is typically 50 centimetres by 50 centimetres). We report here an all-solution-based (in contrast to conventional vacuum processing) synthetic route to producing printable polycrystalline perovskites with sharply faceted large grains having morphologies and optoelectronic properties comparable to those of single crystals. High sensitivities of up to 11 microcoulombs per air KERMA of milligray per square centimetre (μC mGy air -1 cm -2 ) are achieved under irradiation with a 100-kilovolt bremsstrahlung source, which are at least one order of magnitude higher than the sensitivities achieved with currently used amorphous selenium or thallium-doped cesium iodide detectors. We demonstrate X-ray imaging in a conventional thin-film transistor substrate by embedding an 830-micrometre-thick perovskite film and an additional two interlayers of polymer/perovskite composites to provide conformal interfaces between perovskite films and electrodes that control dark currents and temporal charge carrier transportation. Such an all-solution-based perovskite detector could enable low-dose X-ray imaging, and could also be used in photoconductive devices for radiation imaging, sensing and energy harvesting.

Conformational dynamics of ATP/Mg:ATP in motor proteins via data mining and molecular simulation

Science.gov (United States)

Bojovschi, A.; Liu, Ming S.; Sadus, Richard J.

2012-08-01

The conformational diversity of ATP/Mg:ATP in motor proteins was investigated using molecular dynamics and data mining. Adenosine triphosphate (ATP) conformations were found to be constrained mostly by inter cavity motifs in the motor proteins. It is demonstrated that ATP favors extended conformations in the tight pockets of motor proteins such as F1-ATPase and actin whereas compact structures are favored in motor proteins such as RNA polymerase and DNA helicase. The incorporation of Mg2+ leads to increased flexibility of ATP molecules. The differences in the conformational dynamics of ATP/Mg:ATP in various motor proteins was quantified by the radius of gyration. The relationship between the simulation results and those obtained by data mining of motor proteins available in the protein data bank is analyzed. The data mining analysis of motor proteins supports the conformational diversity of the phosphate group of ATP obtained computationally.

Mapping the electrical properties of large-area graphene

DEFF Research Database (Denmark)

Bøggild, Peter; Mackenzie, David; Whelan, Patrick Rebsdorf

2017-01-01

The significant progress in terms of fabricating large-area graphene films for transparent electrodes, barriers, electronics, telecommunication and other applications has not yet been accompanied by efficient methods for characterizing the electrical properties of large-area graphene. While......, and a high measurement effort per device. In this topical review, we provide a comprehensive overview of the issues that need to be addressed by any large-area characterisation method for electrical key performance indicators, with emphasis on electrical uniformity and on how this can be used to provide...... a more accurate analysis of the graphene film. We review and compare three different, but complementary approaches that rely either on fixed contacts (dry laser lithography), movable contacts (micro four point probes) and non-contact (terahertz time-domain spectroscopy) between the probe and the graphene...

Roll-coating fabrication of ITO-free flexible solar cells based on a non-fullerene small molecule acceptor

DEFF Research Database (Denmark)

Liu, Wenqing; Shi, Hangqi; Andersen, Thomas Rieks

2015-01-01

We report organic solar cells (OSCs) with non-fullerene small molecule acceptors (SMAs) prepared in large area via a roll coating process. We employ all solution-processed indium tin oxide (ITO)-free flexible substrates for inverted solar cells with a new SMA of F(DPP)(2)B-2. By utilizing poly(3......-hexylthiophene) as donor blended with F(DPP)(2)B-2 as acceptor, ITO-free large-area flexible SMA based OSCs were produced under ambient conditions with the use of slot-die coating and flexographic printing methods on a lab-scale compact roll-coater that is readily transferrable to roll-to-roll processing...

Nanomorphological study of polymer bulk heterojuntion used in flexible solar devices

Science.gov (United States)

Calderón-Ortiz, Gabriel; Carrasco, Hector; Vedrine-Pauleus, Josee

2014-03-01

Solar cells fabricated with organic polymeric materials can enable large area fabrication on printable and flexible substrates, but increasing their efficiency is coupled to understanding their electrical properties and mechanical function on the nanoscale. In this study we measure the nanoscale conducting and mechanical properties of organic bulk heterojunction polymers coated on graphene and flexible PET or Si substrates. We characterize the nanomorphology of bulk heterojunction conducting polymers by applying conductive atomic force microscope (c-AFM), and force volume mapping for quantitative nanomechanical property calculations.

Lipid Regulated Intramolecular Conformational Dynamics of SNARE-Protein Ykt6

Science.gov (United States)

Dai, Yawei; Seeger, Markus; Weng, Jingwei; Song, Song; Wang, Wenning; Tan, Yan-Wen

2016-08-01

Cellular informational and metabolic processes are propagated with specific membrane fusions governed by soluble N-ethylmaleimide sensitive factor attachment protein receptors (SNARE). SNARE protein Ykt6 is highly expressed in brain neurons and plays a critical role in the membrane-trafficking process. Studies suggested that Ykt6 undergoes a conformational change at the interface between its longin domain and the SNARE core. In this work, we study the conformational state distributions and dynamics of rat Ykt6 by means of single-molecule Förster Resonance Energy Transfer (smFRET) and Fluorescence Cross-Correlation Spectroscopy (FCCS). We observed that intramolecular conformational dynamics between longin domain and SNARE core occurred at the timescale ~200 μs. Furthermore, this dynamics can be regulated and even eliminated by the presence of lipid dodecylphoshpocholine (DPC). Our molecular dynamic (MD) simulations have shown that, the SNARE core exhibits a flexible structure while the longin domain retains relatively stable in apo state. Combining single molecule experiments and theoretical MD simulations, we are the first to provide a quantitative dynamics of Ykt6 and explain the functional conformational change from a qualitative point of view.

Aloe vera Derived Activated High-Surface-Area Carbon for Flexible and High-Energy Supercapacitors.

Science.gov (United States)

Karnan, M; Subramani, K; Sudhan, N; Ilayaraja, N; Sathish, M

2016-12-28

Materials which possess high specific capacitance in device configuration with low cost are essential for viable application in supercapacitors. Herein, a flexible high-energy supercapacitor device was fabricated using porous activated high-surface-area carbon derived from aloe leaf (Aloe vera) as a precursor. The A. vera derived activated carbon showed mesoporous nature with high specific surface area of ∼1890 m 2 /g. A high specific capacitance of 410 and 306 F/g was achieved in three-electrode and symmetric two-electrode system configurations in aqueous electrolyte, respectively. The fabricated all-solid-state device showed a high specific capacitance of 244 F/g with an energy density of 8.6 Wh/kg. In an ionic liquid electrolyte, the fabricated device showed a high specific capacitance of 126 F/g and a wide potential window up to 3 V, which results in a high energy density of 40 Wh/kg. Furthermore, it was observed that the activation temperature has significant role in the electrochemical performance, as the activated sample at 700 °C showed best activity than the samples activated at 600 and 800 °C. The electron microscopic images (FE-SEM and HR-TEM) confirmed the formation of pores by the chemical activation. A fabricated supercapacitor device in ionic liquid with 3 V could power up a red LED for 30 min upon charging for 20s. Also, it is shown that the operation voltage and capacitance of flexible all-solid-state symmetric supercapacitors fabricated using aloe-derived activated carbon could be easily tuned by series and parallel combinations. The performance of fabricated supercapacitor devices using A. vera derived activated carbon in all-solid-state and ionic liquid indicates their viable applications in flexible devices and energy storage.

Conformational transition of κ-casein in micellar environment: Insight from the tryptophan fluorescence

Science.gov (United States)

Mishra, Smruti; Meher, Geetanjali; Chakraborty, Hirak

2017-11-01

Intrinsically disordered proteins (IDPs) are under intense analysis due to their structural flexibility and importance in biological functions. Minuscule modulation in the microenvironment induces significant conformational changes in IDPs, and these non-native conformations of the IDPs often induce aggregation and cause cell death. Changes in the membrane composition often change the microenvironment, which promote conformational change and aggregation of IDPs. κ-Casein, an important milk protein, belongs to the class of IDPs containing net negative charges. In this present work, we have studied the interaction of κ-casein with cetyltrimethyl ammonium bromide (CTAB), a positively charged surfactant, utilizing various steady state fluorescence, time-resolved fluorescence and circular dichroism spectroscopy. Our results clearly indicate that κ-casein undergoes at least two conformational transitions in presence of various concentrations of CTAB. The intrinsically disordered κ-casein assumes a partially folded conformation at lower concentration of CTAB, which adopts an unstructured conformation at higher concentration of CTAB. The partially folded conformation of κ-casein at a lower CTAB concentration might be induced by the favorable electrostatic interaction between the positively charged surfactant headgroup and net negative charges of the protein, whereas surfactant nature of CTAB is being pronounced at higher concentration of CTAB.

The Use of Feature Parameters to Asses Barrier Properties of ALD coatings for Flexible PV Substrates

International Nuclear Information System (INIS)

Blunt, Liam; Fleming, Leigh; Elrawemi, Mohamed; Robbins, David

2014-01-01

This paper reports on the recent work carried out as part of the EU funded NanoMend project. The project seeks to develop integrated process inspection, cleaning, repair and control systems for nano-scale thin films on large area substrates. In the present study flexible photovoltaic films have been the substrate of interest. Flexible PV films are the subject of significant development at present and the latest films have efficiencies at or beyond the level of Si based rigid PV modules. These flexible devices are fabricated on polymer film by the repeated deposition, and patterning, of thin layer materials using roll-to-roll processes, where the whole film is approximately 3um thick prior to encapsulation. Whilst flexible films offer significant advantages in terms of mass and the possibility of building integration (BIPV) they are at present susceptible to long term environmental degradation as a result of water vapor transmission through the barrier layers to the CIGS (Copper Indium Gallium Selenide CuIn x Ga (1-x) Se 2 ) PV cells thus causing electrical shorts and efficiency drops. Environmental protection of the GIGS cell is provided by a thin (40nm) barrier coating of Al 2 O 3 . The highly conformal aluminium oxide barrier layer is produced by atomic layer deposition (ALD) where, the ultra-thin Al 2 O 3 layer is deposited onto polymer thin films before these films encapsulate the PV cell. The surface of the starting polymer film must be of very high quality in order to avoid creating defects in the device layers. Since these defects reduce manufacturing yield, in order to prevent them, a further thin polymer coating (planarization layer) is generally applied to the polymer film prior to deposition. The presence of surface irregularities on the uncoated film can create defects within the nanometre-scale, aluminium oxide, barrier layer and these are measured and characterised. This paper begins by reporting the results of early stage measurements conducted to

A Compact Kapton-based Inkjet Printed Multiband Antenna for Flexible Wireless Devices

KAUST Repository

Ahmed, Sana

2015-04-20

A low cost inkjet printed multiband antenna envisioned for integration into flexible and conformal mobile devices is presented. The antenna structure contains a novel triangular iterative design with coplanar waveguide (CPW) feed, printed on a Kapton polyimide-based flexible substrate with dimensions of 70 x 70 x 0.11 mm3. The antenna covers four wide frequency bands with measured impedance bandwidths of 54.4%, 14%, 23.5% and 17.2%, centered at 1.2, 2.0, 2.6 and 3.4 GHz, respectively, thus, enabling it to cover GSM 900, GPS, UMTS, WLAN, ISM, Bluetooth, LTE 2300/ 2500 and WiMAX standards. The antenna has omnidirectional radiation pattern with a maximum gain of 2.1 dBi. To characterize the flexibility of the antenna, the fabricated prototype is tested in convex and concave bent configurations for radii of 78mm and 59mm. The overall performance remains unaffected, except a minor shift of 20 MHz and 60 MHz in S11, for concave bending at both radii. The compact, lightweight and conformal design as well as multiband performance in bent configurations, proves the suitability of the antenna for future electronic devices.

[Flexibility and safety in hospitals].

Science.gov (United States)

Fara, G M; Barni, M

2011-01-01

The paper explains the reasons according to which the newly-planned hospitals must adopt the concept of advanced flexibility (structural, technological, organizational, diagnostic and therapeutic), in order to avoid the risk of being already obsolete at the moment of their opening, and this due to the fact that too much time elapses in this Country between the moment of planning a new hospital and the moment of the start of its activity. Flexibility is needed at different levels: at low or medium levels for what concerns administrative spaces and also patient rooms (except, in this latter case, when differential intensity of care is adopted); at advanced levelfor what concerns diagnostic and therapeutic areas, which must be rapidly adaptable to new solutions offered by advances in technology and organization. From a different standpoint, flexibility applies also to the fact that hospital must increasingly become a node of a large net including territorial health services: the latter devoted to take care of chronicity, while hospitals should concentrate on acute pathology. Of course the territory surrounding the hospital, through its outpatient service and consultories, is in charge also for first level diagnosy and therapy, leaving the hospital to more sophisticated activities.

Flexible and low-voltage integrated circuits constructed from high-performance nanocrystal transistors.

Science.gov (United States)

Kim, David K; Lai, Yuming; Diroll, Benjamin T; Murray, Christopher B; Kagan, Cherie R

2012-01-01

Colloidal semiconductor nanocrystals are emerging as a new class of solution-processable materials for low-cost, flexible, thin-film electronics. Although these colloidal inks have been shown to form single, thin-film field-effect transistors with impressive characteristics, the use of multiple high-performance nanocrystal field-effect transistors in large-area integrated circuits has not been shown. This is needed to understand and demonstrate the applicability of these discrete nanocrystal field-effect transistors for advanced electronic technologies. Here we report solution-deposited nanocrystal integrated circuits, showing nanocrystal integrated circuit inverters, amplifiers and ring oscillators, constructed from high-performance, low-voltage, low-hysteresis CdSe nanocrystal field-effect transistors with electron mobilities of up to 22 cm(2) V(-1) s(-1), current modulation >10(6) and subthreshold swing of 0.28 V dec(-1). We fabricated the nanocrystal field-effect transistors and nanocrystal integrated circuits from colloidal inks on flexible plastic substrates and scaled the devices to operate at low voltages. We demonstrate that colloidal nanocrystal field-effect transistors can be used as building blocks to construct complex integrated circuits, promising a viable material for low-cost, flexible, large-area electronics.

Sub-surface laser nanostructuring in stratified metal/dielectric media: a versatile platform towards flexible, durable and large-scale plasmonic writing

International Nuclear Information System (INIS)

Siozios, A; Bellas, D V; Lidorikis, E; Patsalas, P; Kalfagiannis, N; Cranton, W M; Koutsogeorgis, D C; Bazioti, C; Dimitrakopulos, G P; Vourlias, G

2015-01-01

Laser nanostructuring of pure ultrathin metal layers or ceramic/metal composite thin films has emerged as a promising route for the fabrication of plasmonic patterns with applications in information storage, cryptography, and security tagging. However, the environmental sensitivity of pure Ag layers and the complexity of ceramic/metal composite film growth hinder the implementation of this technology to large-scale production, as well as its combination with flexible substrates. In the present work we investigate an alternative pathway, namely, starting from non-plasmonic multilayer metal/dielectric layers, whose growth is compatible with large scale production such as in-line sputtering and roll-to-roll deposition, which are then transformed into plasmonic templates by single-shot UV-laser annealing (LA). This entirely cold, large-scale process leads to a subsurface nanoconstruction involving plasmonic Ag nanoparticles (NPs) embedded in a hard and inert dielectric matrix on top of both rigid and flexible substrates. The subsurface encapsulation of Ag NPs provides durability and long-term stability, while the cold character of LA suits the use of sensitive flexible substrates. The morphology of the final composite film depends primarily on the nanocrystalline character of the dielectric host and its thermal conductivity. We demonstrate the emergence of a localized surface plasmon resonance, and its tunability depending on the applied fluence and environmental pressure. The results are well explained by theoretical photothermal modeling. Overall, our findings qualify the proposed process as an excellent candidate for versatile, large-scale optical encoding applications. (paper)

From flexibility to function: Molecular dynamics simulations of conformational changes in chaperones and photoreceptors

NARCIS (Netherlands)

Singhal, K.

2016-01-01

Proteins are uniquely-shaped macromolecules that function as biological machines, and regulate a living cell’s behavior. Crucial to protein function is the folding of the polypeptide chain into a unique well-defined three-dimensional conformation. In complex cell environments, the spontaneous

Progress on large area GEMs (VCI 2010)

CERN Document Server

Villa, Marco; Alfonsi, Matteo; Brock, Ian; Croci, Gabriele; David, Eric; de Oliveira, Rui; Ropelewski, Leszek; Taureg, Hans; van Stenis, Miranda

2011-01-01

The Gas Electron Multiplier (GEM) manufacturing technique has recently evolved to allow the production of large area GEMs. A novel approach based on single mask photolithography eliminates the mask alignment issue, which limits the dimensions in the traditional double mask process. Moreover, a splicing technique overcomes the limited width of the raw material. Stretching and handling issues in large area GEMs have also been addressed. Using the new improvements it was possible to build a prototype triple-GEM detector of ~ 2000 cm2 active area, aimed at an application for the TOTEM T1 upgrade. Further refinements of the single mask technique give great control over the shape of the GEM holes and the size of the rims, which can be tuned as needed. In this framework, simulation studies can help to understand the GEM behavior depending on the hole shape.

A Flexible 5G Wide Area Solution for TDD with Asymmetric Link Operation

DEFF Research Database (Denmark)

Pedersen, Klaus I.; Berardinelli, Gilberto; Frederiksen, Frank

2017-01-01

optimization on a per-link basis is proposed. The solution encompasses the possibility to schedule users with different transmission time intervals to best match their service equirements and radio conditions. Due to the large downlink/uplink transmission power imbalance for each link, asymmetric link...... operation is proposed, where users operate with different minimum transmission times for the two link directions. This is achieved by using a highly flexible asynchronous hybrid Automatic repeat request (HARQ) scheme, as well as a novel solution with in-resource control channel signaling for the scheduling...

Enterprise stent for waffle-cone stent-assisted coil embolization of large wide-necked arterial bifurcation aneurysms.

Science.gov (United States)

Padalino, David J; Singla, Amit; Jacobsen, Walter; Deshaies, Eric M

2013-01-01

Large wide-necked arterial bifurcation aneurysms present a unique challenge for endovascular coil embolization treatment. One technique described in the literature deploys a Neuroform stent into the neck of the aneurysm in the shape of a waffle-cone, thereby acting as a scaffold for the coil mass. This case series presents four patients with large wide-necked bifurcation aneurysms treated with the closed-cell Enterprise stent using the waffle-cone technique. Four patients (59 ± 18 years of age) with large wide-necked arterial bifurcation aneurysms (three basilar apex and one MCA bifurcation) were treated with the waffle-cone technique using the Enterprise stent as a supporting device for stent-assisted coil embolization. Three of the patients presented with aneurysmal subarachnoid hemorrhage (Hunt-Hess 2-3; Fisher Grade 3-4). There was no procedural morbidity or mortality associated with treatment itself. One aneurysm was completely obliterated, and three had small residual necks. One patient developed an area of PCA infarct and visual field cut one month after the procedure and required recoiling of the residual neck. The flared ends of the Enterprise stent remodeled the aneurysm neck by conforming to the shape of the neck without any technical difficulty, resulting in a stable scaffold holding the coils into the aneurysm. The closed cell construction, flexibility, and flared ends of the Enterprise stent allow it to conform to the waffle-cone configuration and provide a stable scaffold for coil embolization of large wide-necked arterial bifurcation aneurysms. We have had excellent initial results using the Enterprise stent with the waffle-cone technique. However, this technique is higher risk than standard treatment methods and therefore should be reserved for large wide-necked bifurcation aneurysms where Y stenting is needed, but not possible, and surgical clip ligation is not an option.

Flexible organic electronic devices: Materials, process and applications

International Nuclear Information System (INIS)

Logothetidis, Stergios

2008-01-01

The research for the development of flexible organic electronic devices (FEDs) is rapidly increasing worldwide, since FEDs will change radically several aspects of everyday life. Although there has been considerable progress in the area of flexible inorganic devices (a-Si or solution processed Si), there are numerous advances in the organic (semiconducting, conducting and insulating), inorganic and hybrid (organic-inorganic) materials that exhibit customized properties and stability, and in the synthesis and preparation methods, which are characterized by a significant amount of multidisciplinary efforts. Furthermore, the development and encapsulation of organic electronic devices onto flexible polymeric substrates by large-scale and low-cost roll-to-roll production processes will allow their market implementation in numerous application areas, including displays, lighting, photovoltaics, radio-frequency identification circuitry and chemical sensors, as well as to a new generation of modern exotic applications. In this work, we report on some of the latest advances in the fields of polymeric substrates, hybrid barrier layers, inorganic and organic materials to be used as novel active and functional thin films and nanomaterials as well as for the encapsulation of the materials components for the production of FEDs (flexible organic light-emitting diodes, and organic photovoltaics). Moreover, we will emphasize on the real-time optical monitoring and characterization of the growing films onto the flexible polymeric substrates by spectroscopic ellipsometry methods. Finally, the potentiality for the in-line characterization processes for the development of organic electronics materials will be emphasized, since it will also establish the framework for the achievement of the future scientific and technological breakthroughs

On the Effect of Hull Girder Flexibility on the Vertical Wave Bending Moment for Ultra Large Container Vessels

DEFF Research Database (Denmark)

Andersen, Ingrid Marie Vincent; Jensen, Jørgen Juncher

2012-01-01

Currently, a number of very large container ships are being built and more are on order, and some concerns have been expressed about the importance of the reduced hull girder stiffness to the wave-induced loads. The main concern is related to the fatigue life, but also a possible increase...... in the global hull girder loads as consequence of the increased hull flexibility must be considered. This is especially so as the rules of the classification societies do not explicitly account for the effect of hull flexibility on the global loads. In the present paper an analysis has been carried out...... in the waves. Slamming forces are determined by a standard momentum formulation. The hull flexibility is modelled as a nonprismatic Timoshenko beam. Generally, good agreement with experimental results and more accurate numerical predictions has previously been obtained in a number of studies. The statistical...

Flexible non-linear predictive models for large-scale wind turbine diagnostics

DEFF Research Database (Denmark)

Bach-Andersen, Martin; Rømer-Odgaard, Bo; Winther, Ole

2017-01-01

We demonstrate how flexible non-linear models can provide accurate and robust predictions on turbine component temperature sensor data using data-driven principles and only a minimum of system modeling. The merits of different model architectures are evaluated using data from a large set...... of turbines operating under diverse conditions. We then go on to test the predictive models in a diagnostic setting, where the output of the models are used to detect mechanical faults in rotor bearings. Using retrospective data from 22 actual rotor bearing failures, the fault detection performance...... of the models are quantified using a structured framework that provides the metrics required for evaluating the performance in a fleet wide monitoring setup. It is demonstrated that faults are identified with high accuracy up to 45 days before a warning from the hard-threshold warning system....

Stability of large-area molecular junctions

NARCIS (Netherlands)

Akkerman, Hylke B.; Kronemeijer, Auke J.; Harkema, Jan; van Hal, Paul A.; Smits, Edsger C. P.; de Leeuw, Dago M.; Blom, Paul W. M.

The stability of molecular junctions is crucial for any application of molecular electronics. Degradation of molecular junctions when exposed to ambient conditions is regularly observed. In this report the stability of large-area molecular junctions under ambient conditions for more than two years

Design of a Generic and Flexible Data Structure for Efficient Formulation of Large Scale Network Problems

DEFF Research Database (Denmark)

Quaglia, Alberto; Sarup, Bent; Sin, Gürkan

2013-01-01

structure for efficient formulation of enterprise-wide optimization problems is presented. Through the integration of the described data structure in our synthesis and design framework, the problem formulation workflow is automated in a software tool, reducing time and resources needed to formulate large......The formulation of Enterprise-Wide Optimization (EWO) problems as mixed integer nonlinear programming requires collecting, consolidating and systematizing large amount of data, coming from different sources and specific to different disciplines. In this manuscript, a generic and flexible data...... problems, while ensuring at the same time data consistency and quality at the application stage....

Set of programs for the conformational study by NMR of flexible molecules

International Nuclear Information System (INIS)

Chachaty, C.; Langlet, G.

1984-09-01

A series of programs of common modular structure have been written in APL for the interpretation of nuclear magnetic resonance and relaxation data in isotropic or anisotropic solutions (liquid crystals). After giving an outline of the computation methods, several examples are reported of the applications of these programs to conformational studies by means of the nuclear relaxation and of the diamagnetic of paramagnetic shifts of resonance lines. These programs are also convenient for studies of dipolar and quadrupolar splittings or chemical shift anisotropy in liquid crystals [fr

Conformational Dynamics of Thermus aquaticus DNA Polymerase I during Catalysis

Science.gov (United States)

Suo, Zucai

2014-01-01

Despite the fact that DNA polymerases have been investigated for many years and are commonly used as tools in a number of molecular biology assays, many details of the kinetic mechanism they use to catalyze DNA synthesis remain unclear. Structural and kinetic studies have characterized a rapid, pre-catalytic open-to-close conformational change of the Finger domain during nucleotide binding for many DNA polymerases including Thermus aquaticus DNA polymerase I (Taq Pol), a thermostable enzyme commonly used for DNA amplification in PCR. However, little has been done to characterize the motions of other structural domains of Taq Pol or any other DNA polymerase during catalysis. Here, we used stopped-flow Förster resonance energy transfer (FRET) to investigate the conformational dynamics of all five structural domains of the full-length Taq Pol relative to the DNA substrate during nucleotide binding and incorporation. Our study provides evidence for a rapid conformational change step induced by dNTP binding and a subsequent global conformational transition involving all domains of Taq Pol during catalysis. Additionally, our study shows that the rate of the global transition was greatly increased with the truncated form of Taq Pol lacking the N-terminal domain. Finally, we utilized a mutant of Taq Pol containing a de novo disulfide bond to demonstrate that limiting protein conformational flexibility greatly reduced the polymerization activity of Taq Pol. PMID:24931550

Material balance areas and frequencies for large reprocessing plants

International Nuclear Information System (INIS)

Burr, T.

1994-01-01

It has long been recognized that facilities with a large nuclear material throughput will probably not meet the International Atomic Energy Agency (IAEA) goal for detecting trickle diversion of plutonium over periods of about one year. The reason is that measurement errors for plutonium concentration and for liquid volume are often approximately relative over a fairly wide range of true values. Therefore, large throughput facilities will tend to have large uncertainties assigned to their annual throughput. By the same argument, if frequent balances are performed over small material balance areas, then the uncertainty associated with each balance period for each balance area will be small. However, trickle diversion would still be difficult to detect statistically. Because the IAEA will soon be faced with safeguarding a new large-scale reprocessing plant in Japan, it is timely to reconsider the advantages and disadvantages of performing frequent material balances over small balance areas (individual tanks where feasible). Therefore, in this paper the authors present some simulation results to study the effect of balance frequency on loss detection probability, and further simulation results to study possibilities introduced by choosing small balance areas. They conclude by recommending frequent balances over small areas

A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.

Science.gov (United States)

Napolitano, Luisa Maria Rosaria; Bisha, Ina; De March, Matteo; Marchesi, Arin; Arcangeletti, Manuel; Demitri, Nicola; Mazzolini, Monica; Rodriguez, Alex; Magistrato, Alessandra; Onesti, Silvia; Laio, Alessandro; Torre, Vincent

2015-07-07

Cyclic nucleotide-gated (CNG) ion channels, despite a significant homology with the highly selective K(+) channels, do not discriminate among monovalent alkali cations and are permeable also to several organic cations. We combined electrophysiology, molecular dynamics (MD) simulations, and X-ray crystallography to demonstrate that the pore of CNG channels is highly flexible. When a CNG mimic is crystallized in the presence of a variety of monovalent cations, including Na(+), Cs(+), and dimethylammonium (DMA(+)), the side chain of Glu66 in the selectivity filter shows multiple conformations and the diameter of the pore changes significantly. MD simulations indicate that Glu66 and the prolines in the outer vestibule undergo large fluctuations, which are modulated by the ionic species and the voltage. This flexibility underlies the coupling between gating and permeation and the poor ionic selectivity of CNG channels.

Conformal Ablative Thermal Protection Systems (CA-TPS) for Venus and Saturn Backshells

Science.gov (United States)

Beck, R.; Gasch, M.; Stackpoole, M.; Wilder, M.; Boghozian, T.; Chavez-Garcia, J.; Prabhu, Dinesh; Kazemba, Cole D.; Venkatapathy, E.

2016-01-01

This poster provides an overview of the work performed to date on the Conformal Ablative TPS (CA-TPS) element of the TPSM project out of GCDP. Under this element, NASA is developing improved ablative TPS materials based on flexible felt for reinforcement rather than rigid reinforcements. By replacing the reinforcements with felt, the resulting materials have much higher strain-to-failure and are much lower in thermal conductivity than their rigid counterparts. These characteristics should allow for larger tile sizes, direct bonding to aeroshells and even lower weight TPS. The conformal phenolic impregnated carbon felt (C-PICA) is a candidate for backshell TPS for both Venus and Saturn entry vehicles.

Design of a large remote seismic exploration data acquisition system, with the architecture of a distributed storage area network

International Nuclear Information System (INIS)

Cao, Ping; Song, Ke-zhu; Yang, Jun-feng; Ruan, Fu-ming

2011-01-01

Nowadays, seismic exploration data acquisition (DAQ) systems have been developed into remote forms with a large-scale coverage area. In this kind of application, some features must be mentioned. Firstly, there are many sensors which are placed remotely. Secondly, the total data throughput is high. Thirdly, optical fibres are not suitable everywhere because of cost control, harsh running environments, etc. Fourthly, the ability of expansibility and upgrading is a must for this kind of application. It is a challenge to design this kind of remote DAQ (rDAQ). Data transmission, clock synchronization, data storage, etc must be considered carefully. A fourth-hierarchy model of rDAQ is proposed. In this model, rDAQ is divided into four different function levels. From this model, a simple and clear architecture based on a distributed storage area network is proposed. rDAQs with this architecture have advantages of flexible configuration, expansibility and stability. This architecture can be applied to design and realize from simple single cable systems to large-scale exploration DAQs

Smoldering and Flame Resistant Textiles via Conformal Barrier Formation

OpenAIRE

Zammarano, Mauro; Cazzetta, Valeria; Nazaré, Shonali; Shields, J. Randy; Kim, Yeon Seok; Hoffman, Kathleen M.; Maffezzoli, Alfonso; Davis, Rick

2016-01-01

A durable and flexible silicone-based backcoating (halogen free) is applied to the backside of an otherwise smoldering-prone and flammable fabric. When exposed to fire, cyclic siloxanes (produced by thermal decomposition of the backcoating) diffuse through the fabric in the gas phase. The following oxidation of the cyclic siloxanes forms a highly conformal and thermally stable coating that fully embeds all individual fibers and shields them from heat and oxidation. As a result, the combustion...

Spontaneous Phase Transformation and Exfoliation of Rectangular Single-Crystal Zinc Hydroxy Dodecylsulfate Nanomembranes

Science.gov (United States)

Fei Wang; Joseph E. Jakes; Dalong Geng; Xudong Wang

2013-01-01

Free-standing two-dimensional (2D) nanostructures, exemplified by graphene and semiconductor nanomembranes, exhibit exotic electrical and mechanical properties and have great potential in electronic applications where devices need to be flexible or conformal to nonplanar surfaces. Based on our previous development of a substrate-free synthesis of large-area, free-...

Flexible Aqueous Lithium-Ion Battery with High Safety and Large Volumetric Energy Density.

Science.gov (United States)

Dong, Xiaoli; Chen, Long; Su, Xiuli; Wang, Yonggang; Xia, Yongyao

2016-06-20

A flexible and wearable aqueous lithium-ion battery is introduced based on spinel Li1.1 Mn2 O4 cathode and a carbon-coated NASICON-type LiTi2 (PO4 )3 anode (NASICON=sodium-ion super ionic conductor). Energy densities of 63 Wh kg(-1) or 124 mWh cm(-3) and power densities of 3 275 W kg(-1) or 11.1 W cm(-3) can be obtained, which are seven times larger than the largest reported till now. The full cell can keep its capacity without significant loss under different bending states, which shows excellent flexibility. Furthermore, two such flexible cells in series with an operation voltage of 4 V can be compatible with current nonaqueous Li-ion batteries. Therefore, such a flexible cell can potentially be put into practical applications for wearable electronics. In addition, a self-chargeable unit is realized by integrating a single flexible aqueous Li-ion battery with a commercial flexible solar cell, which may facilitate the long-time outdoor operation of flexible and wearable electronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

ITO-free flexible polymer solar cells: From small model devices to roll-to-roll processed large modules

DEFF Research Database (Denmark)

Manceau, Matthieu; Angmo, Dechan; Jørgensen, Mikkel

2011-01-01

and the resultant performances compared. Modules comprising 16 serially connected cells gave total area efficiencies up to 0.5% (235 cm2 – 1% on the active area) while the best monolithic ones gave 0.35% (100 cm2 – 0.4% on the active area). The freshly prepared devices consistently showed an inflection point......) monolithic modules (to achieve high geometric fill factor and increase the flexibility of the process). For this second concept, the only layer that needs to be patterned is the silver grid electrode and the grid pattern design can then be readily tuned. As an example, four different patterns were used...

Dynamics of the conformal factor in 4D gravity

International Nuclear Information System (INIS)

Antoniadis, I.

1993-01-01

We argue that 4D gravity is drastically modified at distances larger than the horizon scale, due to the large infrared quantum fluctuations of the conformal part of the metric. The infrared dynamics of the conformal factor is generated by an effective action, induced by the trace anomaly of matter in curved space, analogous to the Polyakov action in two dimensions. The resulting effective scalar theory is renormalizable, and possesses a non-trivial, infrared stable fixed point, characterized by an anomalous scaling dimension of the conformal factor. We argue that this theory describes a large distance scale invariant phase of 4D gravity and provides a framework for a dynamical solution of the cosmological constant problem (author). 12 refs

A flexible ultrasound transducer array with micro-machined bulk PZT.

Science.gov (United States)

Wang, Zhe; Xue, Qing-Tang; Chen, Yuan-Quan; Shu, Yi; Tian, He; Yang, Yi; Xie, Dan; Luo, Jian-Wen; Ren, Tian-Ling

2015-01-23

This paper proposes a novel flexible piezoelectric micro-machined ultrasound transducer, which is based on PZT and a polyimide substrate. The transducer is made on the polyimide substrate and packaged with medical polydimethylsiloxane. Instead of etching the PZT ceramic, this paper proposes a method of putting diced PZT blocks into holes on the polyimide which are pre-etched. The device works in d31 mode and the electromechanical coupling factor is 22.25%. Its flexibility, good conformal contacting with skin surfaces and proper resonant frequency make the device suitable for heart imaging. The flexible packaging ultrasound transducer also has a good waterproof performance after hundreds of ultrasonic electric tests in water. It is a promising ultrasound transducer and will be an effective supplementary ultrasound imaging method in the practical applications.

A Flexible Ultrasound Transducer Array with Micro-Machined Bulk PZT

Directory of Open Access Journals (Sweden)

Zhe Wang

2015-01-01

Full Text Available This paper proposes a novel flexible piezoelectric micro-machined ultrasound transducer, which is based on PZT and a polyimide substrate. The transducer is made on the polyimide substrate and packaged with medical polydimethylsiloxane. Instead of etching the PZT ceramic, this paper proposes a method of putting diced PZT blocks into holes on the polyimide which are pre-etched. The device works in d31 mode and the electromechanical coupling factor is 22.25%. Its flexibility, good conformal contacting with skin surfaces and proper resonant frequency make the device suitable for heart imaging. The flexible packaging ultrasound transducer also has a good waterproof performance after hundreds of ultrasonic electric tests in water. It is a promising ultrasound transducer and will be an effective supplementary ultrasound imaging method in the practical applications.

94: Treatment plan optimization for conformal therapy

International Nuclear Information System (INIS)

Rosen, I.I.; Lane, R.G.

1987-01-01

Computer-controlled conformal radiation therapy techniques can deliver complex treatments utilizing large numbers of beams, gantry angles and beam shapes. Linear programming is well-suited for planning conformal treatments. Given a list of available treatment beams, linear programming calculates the relative weights of the beams such that the objective function is optimized and doses to constraint points are within the prescribed limits. 5 refs.; 3 figs

Flexible suspended gate organic thin-film transistors for ultra-sensitive pressure detection

Science.gov (United States)

Zang, Yaping; Zhang, Fengjiao; Huang, Dazhen; Gao, Xike; di, Chong-An; Zhu, Daoben

2015-03-01

The utilization of organic devices as pressure-sensing elements in artificial intelligence and healthcare applications represents a fascinating opportunity for the next-generation electronic products. To satisfy the critical requirements of these promising applications, the low-cost construction of large-area ultra-sensitive organic pressure devices with outstanding flexibility is highly desired. Here we present flexible suspended gate organic thin-film transistors (SGOTFTs) as a model platform that enables ultra-sensitive pressure detection. More importantly, the unique device geometry of SGOTFTs allows the fine-tuning of their sensitivity by the suspended gate. An unprecedented sensitivity of 192 kPa-1, a low limit-of-detection pressure of <0.5 Pa and a short response time of 10 ms were successfully realized, allowing the real-time detection of acoustic waves. These excellent sensing properties of SGOTFTs, together with their advantages of facile large-area fabrication and versatility in detecting various pressure signals, make SGOTFTs a powerful strategy for spatial pressure mapping in practical applications.

Charge-carrier transport in large-area epitaxial graphene

Energy Technology Data Exchange (ETDEWEB)

Kisslinger, Ferdinand; Popp, Matthias; Weber, Heiko B. [Lehrstuhl fuer Angewandte Physik, Friedrich-Alexander-Universitaet Erlangen-Nuernberg (FAU), Erlangen (Germany); Jobst, Johannes [Huygens-Kamerlingh Onnes Laboratorium, Leiden Institute of Physics, Leiden University (Netherlands); Shallcross, Sam [Lehrstuhl fuer theoretische Festkoerperphysik, Friedrich-Alexander-Universitaet Erlangen-Nuernberg (FAU), Erlangen (Germany)

2017-11-15

We present an overview of recent charge carrier transport experiments in both monolayer and bilayer graphene, with emphasis on the phenomena that appear in large-area samples. While many aspects of transport are based on quantum mechanical concepts, in the large-area limit classical corrections dominate and shape the magnetoresistance and the tunneling conductance. The discussed phenomena are very general and can, with little modification, be expected in any atomically thin 2D conductor. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Quantifying the topography of the intrinsic energy landscape of flexible biomolecular recognition

Science.gov (United States)

Chu, Xiakun; Gan, Linfeng; Wang, Erkang; Wang, Jin

2013-01-01

Biomolecular functions are determined by their interactions with other molecules. Biomolecular recognition is often flexible and associated with large conformational changes involving both binding and folding. However, the global and physical understanding for the process is still challenging. Here, we quantified the intrinsic energy landscapes of flexible biomolecular recognition in terms of binding–folding dynamics for 15 homodimers by exploring the underlying density of states, using a structure-based model both with and without considering energetic roughness. By quantifying three individual effective intrinsic energy landscapes (one for interfacial binding, two for monomeric folding), the association mechanisms for flexible recognition of 15 homodimers can be classified into two-state cooperative “coupled binding–folding” and three-state noncooperative “folding prior to binding” scenarios. We found that the association mechanism of flexible biomolecular recognition relies on the interplay between the underlying effective intrinsic binding and folding energy landscapes. By quantifying the whole global intrinsic binding–folding energy landscapes, we found strong correlations between the landscape topography measure Λ (dimensionless ratio of energy gap versus roughness modulated by the configurational entropy) and the ratio of the thermodynamic stable temperature versus trapping temperature, as well as between Λ and binding kinetics. Therefore, the global energy landscape topography determines the binding–folding thermodynamics and kinetics, crucial for the feasibility and efficiency of realizing biomolecular function. We also found “U-shape” temperature-dependent kinetic behavior and a dynamical cross-over temperature for dividing exponential and nonexponential kinetics for two-state homodimers. Our study provides a unique way to bridge the gap between theory and experiments. PMID:23754431

Plan for support of large-plant (post-CRBR) needs in large-leak sodium-water reaction area

International Nuclear Information System (INIS)

Whipple, J.C.

1980-03-01

Work in the large leak test and analysis area of steam generator development has been carried out at GE-ARSD under 189a SG037 since 1973. The currently planned master schedule for the SG037 program is shown. Principal activities are the large leak testing program being carried out at the Large Leak Test Rig and the analysis methods development. The plan for supporting the large plant (post-CRBR) needs in the large leak sodium-water reaction area is outlined. Most of the needs will be answered in the current SG037 large leak program

Characteristic conformation of Mosher's amide elucidated using the cambridge structural database.

Science.gov (United States)

Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji

2015-07-16

Conformations of the crystalline 3,3,3-trifluoro-2-methoxy-2-phenylpropanamide derivatives (MTPA amides) deposited in the Cambridge Structural Database (CSD) were examined statistically as Racid-enantiomers. The majority of dihedral angles (48/58, ca. 83%) of the amide carbonyl groups and the trifluoromethyl groups ranged from -30° to 0° with an average angle θ1 of -13°. The other conformational properties were also clarified: (1) one of the fluorine atoms was antiperiplanar (ap) to the amide carbonyl group, forming a staggered conformation; (2) the MTPA amides prepared from primary amines showed a Z form in amide moieties; (3) in the case of the MTPA amide prepared from a primary amine possessing secondary alkyl groups (i.e., Mosher-type MTPA amide), the dihedral angles between the methine groups and the carbonyl groups were syn and indicative of a moderate conformational flexibility; (4) the phenyl plane was inclined from the O-Cchiral bond of the methoxy moiety with an average dihedral angle θ2 of +21°; (5) the methyl group of the methoxy moiety was ap to the ipso-carbon atom of the phenyl group.

AnchorDock: Blind and Flexible Anchor-Driven Peptide Docking.

Science.gov (United States)

Ben-Shimon, Avraham; Niv, Masha Y

2015-05-05

The huge conformational space stemming from the inherent flexibility of peptides is among the main obstacles to successful and efficient computational modeling of protein-peptide interactions. Current peptide docking methods typically overcome this challenge using prior knowledge from the structure of the complex. Here we introduce AnchorDock, a peptide docking approach, which automatically targets the docking search to the most relevant parts of the conformational space. This is done by precomputing the free peptide's structure and by computationally identifying anchoring spots on the protein surface. Next, a free peptide conformation undergoes anchor-driven simulated annealing molecular dynamics simulations around the predicted anchoring spots. In the challenging task of a completely blind docking test, AnchorDock produced exceptionally good results (backbone root-mean-square deviation ≤ 2.2Å, rank ≤15) for 10 of 13 unbound cases tested. The impressive performance of AnchorDock supports a molecular recognition pathway that is driven via pre-existing local structural elements. Copyright © 2015 Elsevier Ltd. All rights reserved.

On the physical origin of galactic conformity

Science.gov (United States)

Hearin, Andrew P.; Behroozi, Peter S.; van den Bosch, Frank C.

2016-09-01

Correlations between the star formation rates (SFRs) of nearby galaxies (so-called galactic conformity) have been observed for projected separations up to 4 Mpc, an effect not predicted by current semi-analytic models. We investigate correlations between the mass accretion rates (dMvir/dt) of nearby haloes as a potential physical origin for this effect. We find that pairs of host haloes `know about' each others' assembly histories even when their present-day separation is greater than thirty times the virial radius of either halo. These distances are far too large for direct interaction between the haloes to explain the correlation in their dMvir/dt. Instead, halo pairs at these distances reside in the same large-scale tidal environment, which regulates dMvir/dt for both haloes. Larger haloes are less affected by external forces, which naturally gives rise to a mass dependence of the halo conformity signal. SDSS measurements of galactic conformity exhibit a qualitatively similar dependence on stellar mass, including how the signal varies with distance. Based on the expectation that halo accretion and galaxy SFR are correlated, we predict the scale-, mass- and redshift-dependence of large-scale galactic conformity, finding that the signal should drop to undetectable levels by z ≳ 1. These predictions are testable with current surveys to z ˜ 1; confirmation would establish a strong correlation between dark matter halo accretion rate and central galaxy SFR.

Quantifying polypeptide conformational space: sensitivity to conformation and ensemble definition.

Science.gov (United States)

Sullivan, David C; Lim, Carmay

2006-08-24

Quantifying the density of conformations over phase space (the conformational distribution) is needed to model important macromolecular processes such as protein folding. In this work, we quantify the conformational distribution for a simple polypeptide (N-mer polyalanine) using the cumulative distribution function (CDF), which gives the probability that two randomly selected conformations are separated by less than a "conformational" distance and whose inverse gives conformation counts as a function of conformational radius. An important finding is that the conformation counts obtained by the CDF inverse depend critically on the assignment of a conformation's distance span and the ensemble (e.g., unfolded state model): varying ensemble and conformation definition (1 --> 2 A) varies the CDF-based conformation counts for Ala(50) from 10(11) to 10(69). In particular, relatively short molecular dynamics (MD) relaxation of Ala(50)'s random-walk ensemble reduces the number of conformers from 10(55) to 10(14) (using a 1 A root-mean-square-deviation radius conformation definition) pointing to potential disconnections in comparing the results from simplified models of unfolded proteins with those from all-atom MD simulations. Explicit waters are found to roughen the landscape considerably. Under some common conformation definitions, the results herein provide (i) an upper limit to the number of accessible conformations that compose unfolded states of proteins, (ii) the optimal clustering radius/conformation radius for counting conformations for a given energy and solvent model, (iii) a means of comparing various studies, and (iv) an assessment of the applicability of random search in protein folding.

Near-Source Ground Motion and its Effects on Flexible Buildings

OpenAIRE

Hall, John F.; Heaton, Thomas H.; Halling, Marvin W.; Wald, David J.

1995-01-01

Occurrence of large earthquakes close to cities in California is inevitable. The resulting ground shaking will subject buildings in the near-source region to large, rapid displacement pulses which are not represented in design codes. The simulated Mw7.0 earthquake on a blind-thrust fault used in this study produces peak ground displacement and velocity of 200 cm and 180 cm/sec, respectively. Over an area of several hundred square kilometers in the near-source region, flexible frame and base-i...

Electromagnetic complementary media with arbitrary geometries and non-conformal boundaries

Science.gov (United States)

Liu, Guochang; Li, Chao; Chen, Chao; Fang, Guangyou

2014-06-01

A generalized folded transformation procedure is presented for the space with arbitrary shapes. General expressions for the constitute parameters of complementary media are deduced, which can be readily applied to design complementary media based transformation optics devices (CMTOD) with arbitrary shapes. It's no longer limited to the situation when the inner and outer boundaries of the CMTOD are conformal or similar shapes, and can be available for the non-conformal situations. Three kinds of CMTOD are designed and studied, which involves a super-lens, an external cloak that hides object outside the cloaking shell, and an illusion optics device that transforms one object to another. Full-wave simulations are carried out to validate the proposed approach. The generalization introduced here makes a step forward for the flexible design of CMTOD with arbitrary geometries.

Probing Protein Multidimensional Conformational Fluctuations by Single-Molecule Multiparameter Photon Stamping Spectroscopy

Science.gov (United States)

2015-01-01

Conformational motions of proteins are highly dynamic and intrinsically complex. To capture the temporal and spatial complexity of conformational motions and further to understand their roles in protein functions, an attempt is made to probe multidimensional conformational dynamics of proteins besides the typical one-dimensional FRET coordinate or the projected conformational motions on the one-dimensional FRET coordinate. T4 lysozyme hinge-bending motions between two domains along α-helix have been probed by single-molecule FRET. Nevertheless, the domain motions of T4 lysozyme are rather complex involving multiple coupled nuclear coordinates and most likely contain motions besides hinge-bending. It is highly likely that the multiple dimensional protein conformational motions beyond the typical enzymatic hinged-bending motions have profound impact on overall enzymatic functions. In this report, we have developed a single-molecule multiparameter photon stamping spectroscopy integrating fluorescence anisotropy, FRET, and fluorescence lifetime. This spectroscopic approach enables simultaneous observations of both FRET-related site-to-site conformational dynamics and molecular rotational (or orientational) motions of individual Cy3-Cy5 labeled T4 lysozyme molecules. We have further observed wide-distributed rotational flexibility along orientation coordinates by recording fluorescence anisotropy and simultaneously identified multiple intermediate conformational states along FRET coordinate by monitoring time-dependent donor lifetime, presenting a whole picture of multidimensional conformational dynamics in the process of T4 lysozyme open-close hinge-bending enzymatic turnover motions under enzymatic reaction conditions. By analyzing the autocorrelation functions of both lifetime and anisotropy trajectories, we have also observed the dynamic and static inhomogeneity of T4 lysozyme multidimensional conformational fluctuation dynamics, providing a fundamental

Graphene-cellulose paper flexible supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Weng, Zhe; Su, Yang; Li, Feng; Du, Jinhong; Cheng, Hui-Ming [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Wang, Da-Wei [ARC Centre of Excellence for Functional Nanomaterials, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, St Lucia, Brisbane, Qld 4072 (Australia)

2011-10-15

A simple and scalable method to fabricate graphene-cellulose paper (GCP) membranes is reported; these membranes exhibit great advantages as freestanding and binder-free electrodes for flexible supercapacitors. The GCP electrode consists of a unique three-dimensional interwoven structure of graphene nanosheets and cellulose fibers and has excellent mechanical flexibility, good specific capacitance and power performance, and excellent cyclic stability. The electrical conductivity of the GCP membrane shows high stability with a decrease of only 6% after being bent 1000 times. This flexible GCP electrode has a high capacitance per geometric area of 81 mF cm{sup -2}, which is equivalent to a gravimetric capacitance of 120 F g{sup -1} of graphene, and retains >99% capacitance over 5000 cycles. Several types of flexible GCP-based polymer supercapacitors with various architectures are assembled to meet the power-energy requirements of typical flexible or printable electronics. Under highly flexible conditions, the supercapacitors show a high capacitance per geometric area of 46 mF cm{sup -2} for the complete devices. All the results demonstrate that polymer supercapacitors made using GCP membranes are versatile and may be used for flexible and portable micropower devices. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Highly conductive and flexible color filter electrode using multilayer film structure

Science.gov (United States)

Han, Jun Hee; Kim, Dong-Young; Kim, Dohong; Choi, Kyung Cheol

2016-07-01

In this paper, a high performance flexible component that serves as a color filter and an electrode simultaneously is suggested. The suggested highly conductive and flexible color filter electrode (CFE) has a multilayer film structure composed of silver (Ag) and tungsten trioxide (WO3). The CFE maintained its color filtering capability even when the films were bent on a polyethylene terephthalate (PET) film. Low sheet resistance of the CFE was obtained using WO3 as a bridge layer that connects two Ag layers electrically. The sheet resistance was less than 2 Ω/sq. and it was negligibly changed after bending the film, confirming the flexibility of the CFE. The CFE can be easily fabricated using a thermal evaporator and is easily patterned by photolithography or a shadow mask. The proposed CFE has enormous potential for applications involving optical devices including large area devices and flexible devices.

Double-trace deformations of conformal correlations

Science.gov (United States)

Giombi, Simone; Kirilin, Vladimir; Perlmutter, Eric

2018-02-01

Large N conformal field theories often admit unitary renormalization group flows triggered by double-trace deformations. We compute the change in scalar four-point functions under double-trace flow, to leading order in 1/ N. This has a simple dual in AdS, where the flow is implemented by a change of boundary conditions, and provides a physical interpretation of single-valued conformal partial waves. We extract the change in the conformal dimensions and three-point coefficients of infinite families of double-trace composite operators. Some of these quantities are found to be sign-definite under double-trace flow. As an application, we derive anomalous dimensions of spinning double-trace operators comprised of non-singlet constituents in the O( N) vector model.

Workers’ Conformism

Directory of Open Access Journals (Sweden)

Nikolay Ivantchev

2013-10-01

Full Text Available Conformism was studied among 46 workers with different kinds of occupations by means of two modified scales measuring conformity by Santor, Messervey, and Kusumakar (2000 – scale for perceived peer pressure and scale for conformism in antisocial situations. The hypothesis of the study that workers’ conformism is expressed in a medium degree was confirmed partly. More than a half of the workers conform in a medium degree for taking risk, and for the use of alcohol and drugs, and for sexual relationships. More than a half of the respondents conform in a small degree for anti-social activities (like a theft. The workers were more inclined to conform for risk taking (10.9%, then – for the use of alcohol, drugs and for sexual relationships (8.7%, and in the lowest degree – for anti-social activities (6.5%. The workers who were inclined for the use of alcohol and drugs tended also to conform for anti-social activities.

Mathematical Model and Calibration Experiment of a Large Measurement Range Flexible Joints 6-UPUR Six-Axis Force Sensor

Directory of Open Access Journals (Sweden)

Yanzhi Zhao

2016-08-01

Full Text Available Nowadays improving the accuracy and enlarging the measuring range of six-axis force sensors for wider applications in aircraft landing, rocket thrust, and spacecraft docking testing experiments has become an urgent objective. However, it is still difficult to achieve high accuracy and large measuring range with traditional parallel six-axis force sensors due to the influence of the gap and friction of the joints. Therefore, to overcome the mentioned limitations, this paper proposed a 6-Universal-Prismatic-Universal-Revolute (UPUR joints parallel mechanism with flexible joints to develop a large measurement range six-axis force sensor. The structural characteristics of the sensor are analyzed in comparison with traditional parallel sensor based on the Stewart platform. The force transfer relation of the sensor is deduced, and the force Jacobian matrix is obtained using screw theory in two cases of the ideal state and the state of flexibility of each flexible joint is considered. The prototype and loading calibration system are designed and developed. The K value method and least squares method are used to process experimental data, and in errors of kind Ι and kind II linearity are obtained. The experimental results show that the calibration error of the K value method is more than 13.4%, and the calibration error of the least squares method is 2.67%. The experimental results prove the feasibility of the sensor and the correctness of the theoretical analysis which are expected to be adopted in practical applications.

Mathematical Model and Calibration Experiment of a Large Measurement Range Flexible Joints 6-UPUR Six-Axis Force Sensor.

Science.gov (United States)

Zhao, Yanzhi; Zhang, Caifeng; Zhang, Dan; Shi, Zhongpan; Zhao, Tieshi

2016-08-11

Nowadays improving the accuracy and enlarging the measuring range of six-axis force sensors for wider applications in aircraft landing, rocket thrust, and spacecraft docking testing experiments has become an urgent objective. However, it is still difficult to achieve high accuracy and large measuring range with traditional parallel six-axis force sensors due to the influence of the gap and friction of the joints. Therefore, to overcome the mentioned limitations, this paper proposed a 6-Universal-Prismatic-Universal-Revolute (UPUR) joints parallel mechanism with flexible joints to develop a large measurement range six-axis force sensor. The structural characteristics of the sensor are analyzed in comparison with traditional parallel sensor based on the Stewart platform. The force transfer relation of the sensor is deduced, and the force Jacobian matrix is obtained using screw theory in two cases of the ideal state and the state of flexibility of each flexible joint is considered. The prototype and loading calibration system are designed and developed. The K value method and least squares method are used to process experimental data, and in errors of kind Ι and kind II linearity are obtained. The experimental results show that the calibration error of the K value method is more than 13.4%, and the calibration error of the least squares method is 2.67%. The experimental results prove the feasibility of the sensor and the correctness of the theoretical analysis which are expected to be adopted in practical applications.

Extensions of conformal symmetry in two-dimensional quantum field theory

International Nuclear Information System (INIS)

Schoutens, C.J.M.

1989-01-01

Conformal symmetry extensions in a two-dimensional quantum field theory are the main theme of the work presented in this thesis. After a brief exposition of the formalism for conformal field theory, the motivation for studying extended symmetries in conformal field theory is presented in some detail. Supersymmetric extensions of conformal symmetry are introduced. An overview of the algebraic superconformal symmetry is given. The relevance of higher-spin bosonic extensions of the Virasoro algebra in relation to the classification program for so-called rational conformal theories is explained. The construction of a large class of bosonic extended algebras, the so-called Casimir algebras, are presented. The representation theory of these algebras is discussed and a large class of new unitary models is identified. The superspace formalism for O(N)-extended superconformal quantum field theory is presented. It is shown that such theories exist for N ≤ 4. Special attention is paid to the case N = 4 and it is shown that the allowed central charges are c(n + ,n - ) = 6n + n - /(n + ,n - ), where n + and n - are positive integers. A different class of so(N)-extended superconformal algebras is analyzed. The representation theory is studied and it is established that certain free field theories provide realizations of the algebras with level S = 1. Finally the so-called BRST construction for extended conformal algebras is considered. A nilpotent BRST charge is constructed for a large class of algebras, which contains quadratically nonlinear algebras that fall outside the traditional class if finitely generated Lie (super)algebras. The results are especially relevant for the construction of string models based on extended conformal symmetry. (author). 118 refs.; 7 tabs

Flexible Tactile Sensing Based on Piezoresistive Composites: A Review

Science.gov (United States)

Stassi, Stefano; Cauda, Valentina; Canavese, Giancarlo; Pirri, Candido Fabrizio

2014-01-01

The large expansion of the robotic field in the last decades has created a growing interest in the research and development of tactile sensing solutions for robot hand and body integration. Piezoresistive composites are one of the most widely employed materials for this purpose, combining simple and low cost preparation with high flexibility and conformability to surfaces, low power consumption, and the use of simple read-out electronics. This work provides a review on the different type of composite materials, classified according to the conduction mechanism and analyzing the physics behind it. In particular piezoresistors, strain gauges, percolative and quantum tunnelling devices are reviewed here, with a perspective overview on the most used filler types and polymeric matrices. A description of the state-of-the-art of the tactile sensor solutions from the point of view of the architecture, the design and the performance is also reviewed, with a perspective outlook on the main promising applications. PMID:24638126

Understanding modern magnets through conformal mapping

International Nuclear Information System (INIS)

Halbach, K.

1989-10-01

I want to show with the help of a number of examples that conformal mapping is a unique and enormously powerful tool for thinking about, and solving, problems. Usually one has to write down only a few equations, and sometimes none at all exclamation point When I started getting involved in work for which conformal mapping seemed to be a powerful tool, I did not think that I would ever be able to use that technique successfully because it seemed to require a nearly encyclopedic memory, an impression that was strengthened when I saw K. Kober's Dictionary of Conformal Representations. This attitude changed when I started to realize that beyond the basics of the theory of a function of a complex variable, I needed to know only about a handful of conformal maps and procedures. Consequently, my second goal for this talk is to show that in most cases conformal mapping functions can be obtained by formulating the underlying physics appropriately. This means particularly that encyclopedic knowledge of conformal maps is not necessary for successful use of conformal mapping techniques. To demonstrate these facts I have chosen examples from an area of physics/engineering in which I am active, namely accelerator physics. In order to do that successfully I start with a brief introduction into high energy charged particle storage ring technology, even though not all examples used in this paper to elucidate my points come directly from this particular field of accelerator technology

A large area plastic Cherenkov detector

International Nuclear Information System (INIS)

Bernabei, R.; Bidoli, V.; Zorzi, G. de; Biagio, A. di

1978-01-01

A large area Cherenkov counter has been built up using as a radiator a sheet of Pilot 425 plastic, (180x20)cm 2 x2.5 cm. Experimental tests performed with a pion beam in order to measure the average number of photoelectrons collected by photomultipliers and the scintillation to Cherenkov light ratio. (Auth.)

Nuclear magnetic resonance provides a quantitative description of protein conformational flexibility on physiologically important time scales.

Science.gov (United States)

Salmon, Loïc; Bouvignies, Guillaume; Markwick, Phineus; Blackledge, Martin

2011-04-12

A complete description of biomolecular activity requires an understanding of the nature and the role of protein conformational dynamics. In recent years, novel nuclear magnetic resonance-based techniques that provide hitherto inaccessible detail concerning biomolecular motions occurring on physiologically important time scales have emerged. Residual dipolar couplings (RDCs) provide precise information about time- and ensemble-averaged structural and dynamic processes with correlation times up to the millisecond and thereby encode key information for understanding biological activity. In this review, we present the application of two very different approaches to the quantitative description of protein motion using RDCs. The first is purely analytical, describing backbone dynamics in terms of diffusive motions of each peptide plane, using extensive statistical analysis to validate the proposed dynamic modes. The second is based on restraint-free accelerated molecular dynamics simulation, providing statistically sampled free energy-weighted ensembles that describe conformational fluctuations occurring on time scales from pico- to milliseconds, at atomic resolution. Remarkably, the results from these two approaches converge closely in terms of distribution and absolute amplitude of motions, suggesting that this kind of combination of analytical and numerical models is now capable of providing a unified description of protein conformational dynamics in solution.

Improved flexibility with large-scale variable renewable power in cities through optimal demand side management and power-to-heat conversion

International Nuclear Information System (INIS)

Salpakari, Jyri; Mikkola, Jani; Lund, Peter D.

2016-01-01

Highlights: • New models for optimal control of shiftable loads and power-to-heat conversion. • Full technical and economic potential with optimal controls. • Detailed time series of shiftable loads based on empirical data. • Case study of Helsinki (Finland) with over 90% share of district heating. • Positive net present values in cost-optimal operation. - Abstract: Solar and wind power are potential carbon-free energy solutions for urban areas, but they are also subject to large variability. At the same time, urban areas offer promising flexibility solutions for balancing variable renewable power. This paper presents models for optimal control of power-to-heat conversion to heating systems and shiftable loads in cities to incorporate large variable renewable power schemes. The power-to-heat systems comprise heat pumps, electric boilers, and thermal storage. The control strategies comprise optimal matching of load and production, and cost-optimal market participation with investment analysis. All analyses are based on hourly data. The models are applied to a case study in Helsinki, Finland. For a scheme providing ca. 50% of all electricity in the city through self-consumption of variable renewables, power-to-heat with thermal storage could absorb all the surplus production. A significant reduction in the net load magnitude was obtained with shiftable loads. Investments to both power-to-heat and load shifting with electric heating and commercial refrigeration have a positive net present value if the resources are controlled cost-optimally.

Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase

Science.gov (United States)

Formoso, Elena; Limongelli, Vittorio; Parrinello, Michele

2015-02-01

Adenylate Kinase (AK) is a signal transducing protein that regulates cellular energy homeostasis balancing between different conformations. An alteration of its activity can lead to severe pathologies such as heart failure, cancer and neurodegenerative diseases. A comprehensive elucidation of the large-scale conformational motions that rule the functional mechanism of this enzyme is of great value to guide rationally the development of new medications. Here using a metadynamics-based computational protocol we elucidate the thermodynamics and structural properties underlying the AK functional transitions. The free energy estimation of the conformational motions of the enzyme allows characterizing the sequence of events that regulate its action. We reveal the atomistic details of the most relevant enzyme states, identifying residues such as Arg119 and Lys13, which play a key role during the conformational transitions and represent druggable spots to design enzyme inhibitors. Our study offers tools that open new areas of investigation on large-scale motion in proteins.

Large area solid target neutron source

International Nuclear Information System (INIS)

Crawford, J.C.; Bauer, W.

1974-01-01

A potentially useful neutron source may result from the combination of a solid deuterium-tritium loaded target with the large area, high energy ion beams from ion sources being developed for neutral beam injection. The resulting neutron source would have a large radiating area and thus produce the sizable experimental volume necessary for future studies of bulk and synergistic surface radiation effects as well as experiments on engineering samples and small components. With a 200 keV D + T + beam and 40 kW/cm 2 power dissipation on a 200 cm 2 target spot, a total neutron yield of about 4 x 10 15 n/sec may be achieved. Although the useable neutron flux from this source is limited to 1 to 2 x 10 13 n/cm 2 /sec, this flux can be produced 3 cm in front of the target and over about 300 cm 3 of experimental volume. Problems of total power dissipation, sputtering, isotopic flushing and thermal dissociation are reviewed. Neutron flux profiles and potential experimental configurations are presented and compared to other neutron source concepts. (U.S.)

Conformation radiotherapy and conformal radiotherapy

International Nuclear Information System (INIS)

Morita, Kozo

1999-01-01

In order to coincide the high dose region to the target volume, the 'Conformation Radiotherapy Technique' using the multileaf collimator and the device for 'hollow-out technique' was developed by Prof. S. Takahashi in 1960. This technique can be classified a type of 2D-dynamic conformal RT techniques. By the clinical application of this technique, the late complications of the lens, the intestine and the urinary bladder after radiotherapy for the maxillary cancer and the cervical cancer decreased. Since 1980's the exact position and shape of the tumor and the surrounding normal tissues can be easily obtained by the tremendous development of the CT/MRI imaging technique. As a result, various kinds of new conformal techniques such as the 3D-CRT, the dose intensity modulation, the tomotherapy have been developed since the beginning of 1990'. Several 'dose escalation study with 2D-/3D conformal RT' is now under way to improve the treatment results. (author)

Workplace flexibility: from research to action.

Science.gov (United States)

Galinsky, Ellen; Sakai, Kelly; Wigton, Tyler

2011-01-01

Ellen Galinsky, Kelly Sakai, and Tyler Wigton explore the "time famine" among American workers-the continuing sense among employees of not having enough time to manage the multiple responsibilities of work and personal and family life. Noting that large shares of U.S. employees report feeling the need for greater workplace flexibility to enable them to take better care of family responsibilities, the authors examine a large-scale community-engagement initiative to increase workplace flexibility voluntarily. Using the 2008 National Study of the Changing Workforce as a primary source of data, the authors begin with an overview of the prevalence of flexibility in today's American workplace. They track which categories of employees have access to various flexibility options, as well as the extent to which employees with access to various types of flexibility use those options. Findings from the study indicate that the majority of employees want flexibility but that access to it varies, with more advantaged employees--those who are well educated, have high salaries, and work full time, for example--being doubly advantaged in having greater access to flexibility. A number of employers, say the authors, tend to be skeptical of the value of workplace flexibility and to fear that employees will abuse it if it is offered. But the study data reveal that most employees use flexibility quite conservatively. When the authors use their nationally representative data set to investigate correlations between access to workplace flexibility and a range of workplace outcomes especially valued by employers--employee engagement, job satisfaction, retention, and health--they find that employers as well as employees can benefit from flexibility. Finally, the authors discuss When Work Works, a large, national community-based initiative under way since 2003 to increase voluntary adoption of workplace flexibility. The authors detail the conceptual basis of the project's design, noting its

Conformational disorder in folded and intrinsically disordered proteins from nuclear magnetic resonance

International Nuclear Information System (INIS)

Salmon, Loic

2010-01-01

Biological macromolecules are, by essence, dynamical systems. While the importance of this flexibility is nowadays well established, the accurate characterization of the conformational disorder of these systems remains an important challenge. Nuclear magnetic resonance spectroscopy is a unique tool to probe these motions at atomic level, through the analysis of spin relaxation or residual dipolar couplings. The latter allows all motions occurring at timescales faster than the millisecond to be investigated, including physiologically important timescales. The information presents in those couplings is interpreted here using mainly analytical approaches in order to quantify the amounts of dynamics present in folded protein, to determine the direction of those motions and to obtain structural information within this conformational disorder. These analytical approaches are complemented by numerical methods, that allowed the observation of phenomena from a different point of view or the investigation of other systems such as intrinsically disordered proteins. All of these studies demonstrate an important complementarity between structural order and conformational disorder. (author)

Rapid roll inflation with conformal coupling

International Nuclear Information System (INIS)

Kofman, Lev; Mukohyama, Shinji

2008-01-01

Usual inflation is realized with a slow rolling scalar field minimally coupled to gravity. In contrast, we consider dynamics of a scalar with a flat effective potential, conformally coupled to gravity. Surprisingly, it contains an attractor inflationary solution with the rapidly rolling inflaton field. We discuss models with the conformal inflaton with a flat potential (including hybrid inflation). There is no generation of cosmological fluctuations from the conformally coupled inflaton. We consider realizations of modulated (inhomogeneous reheating) or curvaton cosmological fluctuations in these models. We also implement these unusual features for the popular string-theoretic warped inflationary scenario, based on the interacting D3-D3 branes. The original warped brane inflation suffers a large inflaton mass due to conformal coupling to 4-dimensional gravity. Instead of considering this as a problem and trying to cure it with extra engineering, we show that warped inflation with the conformally coupled, rapidly rolling inflaton is yet possible with N=37 efoldings, which requires low-energy scales 1-100 TeV of inflation. Coincidentally, the same warping numerology can be responsible for the hierarchy. It is shown that the scalars associated with angular isometries of the warped geometry of compact manifold (e.g. S 3 of Klebanov-Strassler (KS) geometry) have solutions identical to conformally coupled modes and also cannot be responsible for cosmological fluctuations. We discuss other possibilities

Rapid roll inflation with conformal coupling

Science.gov (United States)

Kofman, Lev; Mukohyama, Shinji

2008-02-01

Usual inflation is realized with a slow rolling scalar field minimally coupled to gravity. In contrast, we consider dynamics of a scalar with a flat effective potential, conformally coupled to gravity. Surprisingly, it contains an attractor inflationary solution with the rapidly rolling inflaton field. We discuss models with the conformal inflaton with a flat potential (including hybrid inflation). There is no generation of cosmological fluctuations from the conformally coupled inflaton. We consider realizations of modulated (inhomogeneous reheating) or curvaton cosmological fluctuations in these models. We also implement these unusual features for the popular string-theoretic warped inflationary scenario, based on the interacting D3-D¯3 branes. The original warped brane inflation suffers a large inflaton mass due to conformal coupling to 4-dimensional gravity. Instead of considering this as a problem and trying to cure it with extra engineering, we show that warped inflation with the conformally coupled, rapidly rolling inflaton is yet possible with N=37 efoldings, which requires low-energy scales 1 100 TeV of inflation. Coincidentally, the same warping numerology can be responsible for the hierarchy. It is shown that the scalars associated with angular isometries of the warped geometry of compact manifold (e.g. S3 of Klebanov-Strassler (KS) geometry) have solutions identical to conformally coupled modes and also cannot be responsible for cosmological fluctuations. We discuss other possibilities.

Robust, Flexible and Lightweight Dielectric Barrier Discharge Actuators Using Nanofoams/Aerogels

Science.gov (United States)

Sauti, Godfrey (Inventor); Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Wilkinson, Stephen P. (Inventor); Meador, Mary Ann B. (Inventor); Guo, Haiquan N. (Inventor)

2015-01-01

Robust, flexible, lightweight, low profile enhanced performance dielectric barrier discharge actuators (plasma actuators) based on aerogels/nanofoams with controlled pore size and size distribution as well as pore shape. The plasma actuators offer high body force as well as high force to weight ratios (thrust density). The flexibility and mechanical robustness of the actuators allows them to be shaped to conform to the surface to which they are applied. Carbon nanotube (CNT) based electrodes serve to further decrease the weight and profile of the actuators while maintaining flexibility while insulating nano-inclusions in the matrix enable tailoring of the mechanical properties. Such actuators are required for flow control in aeronautics and moving machinery such as wind turbines, noise abatement in landing gear and rotary wing aircraft and other applications.

Killing tensors and conformal Killing tensors from conformal Killing vectors

International Nuclear Information System (INIS)

Rani, Raffaele; Edgar, S Brian; Barnes, Alan

2003-01-01

Koutras has proposed some methods to construct reducible proper conformal Killing tensors and Killing tensors (which are, in general, irreducible) when a pair of orthogonal conformal Killing vectors exist in a given space. We give the completely general result demonstrating that this severe restriction of orthogonality is unnecessary. In addition, we correct and extend some results concerning Killing tensors constructed from a single conformal Killing vector. A number of examples demonstrate that it is possible to construct a much larger class of reducible proper conformal Killing tensors and Killing tensors than permitted by the Koutras algorithms. In particular, by showing that all conformal Killing tensors are reducible in conformally flat spaces, we have a method of constructing all conformal Killing tensors, and hence all the Killing tensors (which will in general be irreducible) of conformally flat spaces using their conformal Killing vectors

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2.

Directory of Open Access Journals (Sweden)

Pasquale Pisani

Full Text Available Protein kinases are key regulatory nodes in cellular networks and their function has been shown to be intimately coupled with their structural flexibility. However, understanding the key structural mechanisms of large conformational transitions remains a difficult task. CDK2 is a crucial regulator of cell cycle. Its activity is finely tuned by Cyclin E/A and the catalytic segment phosphorylation, whereas its deregulation occurs in many types of cancer. ATP competitive inhibitors have failed to be approved for clinical use due to toxicity issues raised by a lack of selectivity. However, in the last few years type III allosteric inhibitors have emerged as an alternative strategy to selectively modulate CDK2 activity. In this study we have investigated the conformational variability of CDK2. A low dimensional conformational landscape of CDK2 was modeled using classical multidimensional scaling on a set of 255 crystal structures. Microsecond-scale plain and accelerated MD simulations were used to populate this landscape by using an out-of-sample extension of multidimensional scaling. CDK2 was simulated in the apo-form and in complex with the allosteric inhibitor 8-anilino-1-napthalenesulfonic acid (ANS. The apo-CDK2 landscape analysis showed a conformational equilibrium between an Src-like inactive conformation and an active-like form. These two states are separated by different metastable states that share hybrid structural features with both forms of the kinase. In contrast, the CDK2/ANS complex landscape is compatible with a conformational selection picture where the binding of ANS in proximity of the αC helix causes a population shift toward the inactive conformation. Interestingly, the new metastable states could enlarge the pool of candidate structures for the development of selective allosteric CDK2 inhibitors. The method here presented should not be limited to the CDK2 case but could be used to systematically unmask similar mechanisms

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices

Science.gov (United States)

Galak, Jeff; Gray, Kurt; Elbert, Igor; Strohminger, Nina

2016-01-01

How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women’s shoes (16,236 transactions) across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size) when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context. PMID:27144595

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices.

Directory of Open Access Journals (Sweden)

Jeff Galak

Full Text Available How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women's shoes (16,236 transactions across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context.

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices.

Science.gov (United States)

Galak, Jeff; Gray, Kurt; Elbert, Igor; Strohminger, Nina

2016-01-01

How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women's shoes (16,236 transactions) across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size) when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context.

Translational and rotational diffusion of flexible PEG and rigid dendrimer probes in sodium caseinate dispersions and acid gels.

Science.gov (United States)

Salami, Souad; Rondeau-Mouro, Corinne; Barhoum, Myriam; van Duynhoven, John; Mariette, François

2014-09-01

The dynamics of rigid dendrimer and flexible PEG probes in sodium caseinate dispersions and acid gels, including both translational diffusion and rotational diffusion, were studied by NMR. Above the onset of the close-packing limit (C ∼ 10 g/100 g H2 O), translational diffusion of the probe depended on its flexibility and on the fluctuations of the matrix chains. The PEG probe diffused more rapidly than the spherical dendrimer probe of corresponding hydrodynamic radius. The greater conformational flexibility of PEG facilitated its motion through the crowded casein matrix. Rotational diffusion was, however, substantially less hindered than the translational diffusion and depended on the local protein-probe friction which became high when the casein concentration increased. The coagulation of the matrix led to the formation of large voids, which resulted in an increase in the translational diffusion of the probes, whereas the rotational diffusion of the probes was retarded in the gel, which could be attributed to the immobilized environment surrounding the probe. Quantitative information from PFG-NMR and SEM micrographs have been combined for characterizing microstructural details in SC acid gels. © 2014 Wiley Periodicals, Inc.

Enantioselective recognition of an isomeric ligand by a biomolecule: mechanistic insights into static and dynamic enantiomeric behavior and structural flexibility.

Science.gov (United States)

Peng, Wei; Ding, Fei

2017-10-24

Chirality is a ubiquitous basic attribute of nature, which inseparably relates to the life activity of living organisms. However, enantiomeric differences have still failed to arouse enough attention during the biological evaluation and practical application of chiral substances, and this poses a large threat to human health. In the current study, we explore the enantioselective biorecognition of a chiral compound by an asymmetric biomolecule, and then decipher the molecular basis of such a biological phenomenon on the static and, in particular, the dynamic scale. In light of the wet experiments, in silico docking results revealed that the orientation of the latter part of the optical isomer structures in the recognition domain can be greatly affected by the chiral carbon center in a model ligand molecule, and this event may induce large disparities between the static chiral bioreaction modes and noncovalent interactions (especially hydrogen bonding). Dynamic stereoselective biorecognition assays indicated that the conformational stability of the protein-(S)-diclofop system is clearly greater than the protein-(R)-diclofop adduct; and moreover, the conformational alterations of the diclofop enantiomers in the dynamic process will directly influence the conformational flexibility of the key residues found in the biorecognition region. These points enable the changing trends of biopolymer structural flexibility and free energy to exhibit significant distinctions when proteins sterically recognize the (R)-/(S)-stereoisomers. The outcomes of the energy decomposition further showed that the van der Waals' energy has roughly the same contribution to the chiral recognition biosystems, whereas the contribution of electrostatic energy to the protein-(R)-diclofop complex is notably smaller than to the protein-(S)-diclofop bioconjugate. This proves that differences in the noncovalent bonds would have a serious impact on the stereoselective biorecognition between a

Regulations and Strategy for a Loss of Large Area

Energy Technology Data Exchange (ETDEWEB)

Lim, Heok-soon [KHNP CRI, Daejeon (Korea, Republic of)

2016-10-15

The Nuclear Regulatory Commission (NRC) has issued 10 CFR 50.54(hh) that requires licensees to develop guidance and strategies for addressing the loss of large areas of the plant due to explosions or fires from a beyond-design basis event through the use of readily available resources and by identifying potential practicable areas for the use of beyond-readily-available resources. These strategies would address licensee response to events that are beyond the design basis of the facility. This paper illustrates overview of Regulations and some important Strategy for a Loss of Large Area of an advanced nuclear power plant. Regulations and Strategy for Loss of Large Area Analysis could be overlooked during the development stage of Physical Protection System. KHNP was done the project of Physical Protection System design including LOLA to meet the criteria of U.S. NRC and IAEA requirements in INFCIRC/225/Rev.5. The New Reactor should meet the regulatory requirements for LOLA. In the future, the results of project will expect to apply new NPPs.

Energy Flexibility in the Power System

DEFF Research Database (Denmark)

Billanes, Joy Dalmacio; Ma, Zheng; Jørgensen, Bo Nørregaard

2017-01-01

Energy flexibility can address the challenges of large scale integration of renewable energy resources and thereby increasing imbalance in the power system. Flexible power system can provide reliable supply, low electricity cost and sustainability. Various situations and factors influence...... the adoption of the flexibility solutions, such as flexible electricity generation, demand-response, and electricity storage. This paper tries to analyze the current energy flexibility solutions and the factors that can influence the energy flexibility adoption. This paper takes Philippines as case study...... to provide an overview of the current condition of the Philippines’ power system and discuss the energy flexibility in the Philippines’ power system. A further discussion and recommendation is conducted in the end of the paper....

Mapping the electrical properties of large-area graphene

Science.gov (United States)

Bøggild, Peter; Mackenzie, David M. A.; Whelan, Patrick R.; Petersen, Dirch H.; Due Buron, Jonas; Zurutuza, Amaia; Gallop, John; Hao, Ling; Jepsen, Peter U.

2017-12-01

The significant progress in terms of fabricating large-area graphene films for transparent electrodes, barriers, electronics, telecommunication and other applications has not yet been accompanied by efficient methods for characterizing the electrical properties of large-area graphene. While in the early prototyping as well as research and development phases, electrical test devices created by conventional lithography have provided adequate insights, this approach is becoming increasingly problematic due to complications such as irreversible damage to the original graphene film, contamination, and a high measurement effort per device. In this topical review, we provide a comprehensive overview of the issues that need to be addressed by any large-area characterisation method for electrical key performance indicators, with emphasis on electrical uniformity and on how this can be used to provide a more accurate analysis of the graphene film. We review and compare three different, but complementary approaches that rely either on fixed contacts (dry laser lithography), movable contacts (micro four point probes) and non-contact (terahertz time-domain spectroscopy) between the probe and the graphene film, all of which have been optimized for maximal throughput and accuracy, and minimal damage to the graphene film. Of these three, the main emphasis is on THz time-domain spectroscopy, which is non-destructive, highly accurate and allows both conductivity, carrier density and carrier mobility to be mapped across arbitrarily large areas at rates that by far exceed any other known method. We also detail how the THz conductivity spectra give insights on the scattering mechanisms, and through that, the microstructure of graphene films subject to different growth and transfer processes. The perspectives for upscaling to realistic production environments are discussed.

Highly flexible and robust N-doped SiC nanoneedle field emitters

KAUST Repository

Chen, Shanliang

2015-01-23

Flexible field emission (FE) emitters, whose unique advantages are lightweight and conformable, promise to enable a wide range of technologies, such as roll-up flexible FE displays, e-papers and flexible light-emitting diodes. In this work, we demonstrate for the first time highly flexible SiC field emitters with low turn-on fields and excellent emission stabilities. n-Type SiC nanoneedles with ultra-sharp tips and tailored N-doping levels were synthesized via a catalyst-assisted pyrolysis process on carbon fabrics by controlling the gas mixture and cooling rate. The turn-on field, threshold field and current emission fluctuation of SiC nanoneedle emitters with an N-doping level of 7.58 at.% are 1.11 V μm-1, 1.55 V μm-1 and 8.1%, respectively, suggesting the best overall performance for such flexible field emitters. Furthermore, characterization of the FE properties under repeated bending cycles and different bending states reveal that the SiC field emitters are mechanically and electrically robust with unprecedentedly high flexibility and stabilities. These findings underscore the importance of concurrent morphology and composition controls in nanomaterial synthesis and establish SiC nanoneedles as the most promising candidate for flexible FE applications. © 2015 Nature Publishing Group All rights reserved.

Highly flexible and robust N-doped SiC nanoneedle field emitters

KAUST Repository

Chen, Shanliang; Ying, Pengzhan; Wang, Lin; Wei, Guodong; Gao, Fengmei; Zheng, Jinju; Shang, Minhui; Yang, Zuobao; Yang, Weiyou; Wu, Tao

2015-01-01

Flexible field emission (FE) emitters, whose unique advantages are lightweight and conformable, promise to enable a wide range of technologies, such as roll-up flexible FE displays, e-papers and flexible light-emitting diodes. In this work, we demonstrate for the first time highly flexible SiC field emitters with low turn-on fields and excellent emission stabilities. n-Type SiC nanoneedles with ultra-sharp tips and tailored N-doping levels were synthesized via a catalyst-assisted pyrolysis process on carbon fabrics by controlling the gas mixture and cooling rate. The turn-on field, threshold field and current emission fluctuation of SiC nanoneedle emitters with an N-doping level of 7.58 at.% are 1.11 V μm-1, 1.55 V μm-1 and 8.1%, respectively, suggesting the best overall performance for such flexible field emitters. Furthermore, characterization of the FE properties under repeated bending cycles and different bending states reveal that the SiC field emitters are mechanically and electrically robust with unprecedentedly high flexibility and stabilities. These findings underscore the importance of concurrent morphology and composition controls in nanomaterial synthesis and establish SiC nanoneedles as the most promising candidate for flexible FE applications. © 2015 Nature Publishing Group All rights reserved.

Large-area metallic photonic lattices for military applications.

Energy Technology Data Exchange (ETDEWEB)

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.

Real-time observation of conformational switching in single conjugated polymer chains.

Science.gov (United States)

Tenopala-Carmona, Francisco; Fronk, Stephanie; Bazan, Guillermo C; Samuel, Ifor D W; Penedo, J Carlos

2018-02-01

Conjugated polymers (CPs) are an important class of organic semiconductors that combine novel optoelectronic properties with simple processing from organic solvents. It is important to study CP conformation in solution to understand the physics of these materials and because it affects the properties of solution-processed films. Single-molecule techniques are unique in their ability to extract information on a chain-to-chain basis; however, in the context of CPs, technical challenges have limited their general application to host matrices or semiliquid environments that constrain the conformational dynamics of the polymer. We introduce a conceptually different methodology that enables measurements in organic solvents using the single-end anchoring of polymer chains to avoid diffusion while preserving polymer flexibility. We explore the effect of organic solvents and show that, in addition to chain-to-chain conformational heterogeneity, collapsed and extended polymer segments can coexist within the same chain. The technique enables real-time solvent-exchange measurements, which show that anchored CP chains respond to sudden changes in solvent conditions on a subsecond time scale. Our results give an unprecedented glimpse into the mechanism of solvent-induced reorganization of CPs and can be expected to lead to a new range of techniques to investigate and conformationally manipulate CPs.

Inkjet-Printed Small-Molecule Organic Light-Emitting Diodes: Halogen-Free Inks, Printing Optimization, and Large-Area Patterning.

Science.gov (United States)

Zhou, Lu; Yang, Lei; Yu, Mengjie; Jiang, Yi; Liu, Cheng-Fang; Lai, Wen-Yong; Huang, Wei

2017-11-22

Manufacturing small-molecule organic light-emitting diodes (OLEDs) via inkjet printing is rather attractive for realizing high-efficiency and long-life-span devices, yet it is challenging. In this paper, we present our efforts on systematical investigation and optimization of the ink properties and the printing process to enable facile inkjet printing of conjugated light-emitting small molecules. Various factors on influencing the inkjet-printed film quality during the droplet generation, the ink spreading on the substrates, and its solidification processes have been systematically investigated and optimized. Consequently, halogen-free inks have been developed and large-area patterning inkjet printing on flexible substrates with efficient blue emission has been successfully demonstrated. Moreover, OLEDs manufactured by inkjet printing the light-emitting small molecules manifested superior performance as compared with their corresponding spin-cast counterparts.