Replication of butterfly wing and natural lotus leaf structures by nanoimprint on silica sol-gel films.

PubMed

Saison, Tamar; Peroz, Christophe; Chauveau, Vanessa; Berthier, Serge; Sondergard, Elin; Arribart, Hervé

2008-12-01

An original and low cost method for the fabrication of patterned surfaces bioinspired from butterfly wings and lotus leaves is presented. Silica-based sol-gel films are thermally imprinted from elastomeric molds to produce stable structures with superhydrophobicity values as high as 160 degrees water contact angle. The biomimetic surfaces are demonstrated to be tuned from superhydrophobic to superhydrophilic by annealing between 200 degrees C and 500 degrees C.

Comparison of three coding strategies for a low cost structure light scanner

NASA Astrophysics Data System (ADS)

Xiong, Hanwei; Xu, Jun; Xu, Chenxi; Pan, Ming

2014-12-01

Coded structure light is widely used for 3D scanning, and different coding strategies are adopted to suit for different goals. In this paper, three coding strategies are compared, and one of them is selected to implement a low cost structure light scanner under the cost of €100. To reach this goal, the projector and the video camera must be the cheapest, which will lead to some problems related to light coding. For a cheapest projector, complex intensity pattern can't be generated; even if it can be generated, it can't be captured by a cheapest camera. Based on Gray code, three different strategies are implemented and compared, called phase-shift, line-shift, and bit-shift, respectively. The bit-shift Gray code is the contribution of this paper, in which a simple, stable light pattern is used to generate dense(mean points distance<0.4mm) and accurate(mean error<0.1mm) results. The whole algorithm details and some example are presented in the papers.

SAW propagation characteristics of TeO3/3C-SiC/LiNbO3 layered structure

NASA Astrophysics Data System (ADS)

Soni, Namrata D.

2018-04-01

Surface acoustic wave (SAW) devices based on Lithium Niobate (LiNbO3) single crystal are advantageous because of its high SAW phase velocity, electromechanical coupling coefficient and cost effectiveness. In the present work a new multi-layered TeO3/3C-SiC/128° Y-X LiNbO3 SAW device has been proposed. SAW propagation properties such as phase velocity, coupling coefficient and temperature coefficient of delay (TCD) of the TeO3/SiC/128° Y-X LiNbO3 multi layered structure is examined using theoretical calculations. It is found that the integration of 0.09λ thick 3C-SiC over layer on 128° Y-X LiNbO3 increases its electromechanical coupling coefficient from 5.3% to 9.77% and SAW velocity from 3800 ms‑1 to 4394 ms‑1. The SiC/128° Y-X LiNbO3 bilayer SAW structure exhibits a high positive TCD value. A temperature stable layered SAW device could be obtained with introduction of 0.007λ TeO3 over layer on SiC/128° Y-X LiNbO3 bilayer structure without sacrificing the efficiency of the device. The proposed TeO3/3C-SiC/128° Y-X LiNbO3 multi-layered SAW structure is found to be cost effective, efficient, temperature stable and suitable for high frequency application in harsh environment.

Encapsulant selection and durability testing experience

NASA Technical Reports Server (NTRS)

Cuddihy, E. F.

1985-01-01

The Flat Plate Solar Array Project (FSA) has established technically challenging cost and service life goals for photovoltaic modules. These goals are a cost of $70 sq m and an expected 30 years of service life in an outdoor weathering environment. out of the cost goal, $14 sq m is allocated for encapsulation materials, which includes the cost of a structural panel. At FSA's inception in 1975, the cumulative cost of encapsulation materials in popular use, such as room temperature vulcanized (RTV) silicones, aluminum panels, etc., greatly exceeded $14/sq m. Accordingly, it became necessary to identify and/or develop new materials and new material technologies to achieve the goals. Many of these new materials are low cost polymers that satisfy module engineering and encapsulation processing requirements but unfortunately are not intrinsically weather stable. This necessitates identifying lifetime and/or weathering deficiencies inherent in these low cost materials and developing specific approaches to enhancing weather stability.

A highly-active and stable hydrogen evolution catalyst based on pyrite-structured cobalt phosphosulfide

DOE PAGES

Liu, Wen; Hu, Enyuan; Jiang, Hong; ...

2016-02-19

Rational design and controlled synthesis of hybrid structures comprising multiple components with distinctive functionalities are an intriguing and challenging approach to materials development for important energy applications like electrocatalytic hydrogen production, where there is a great need for cost effective, active and durable catalyst materials to replace the precious platinum. Here we report a structure design and sequential synthesis of a highly active and stable hydrogen evolution electrocatalyst material based on pyrite-structured cobalt phosphosulfide nanoparticles grown on carbon nanotubes. The three synthetic steps in turn render electrical conductivity, catalytic activity and stability to the material. The hybrid material exhibits superiormore » activity for hydrogen evolution, achieving current densities of 10 mA cm –2 and 100 mA cm –2 at overpotentials of 48 mV and 109 mV, respectively. Lastly, phosphorus substitution is crucial for the chemical stability and catalytic durability of the material, the molecular origins of which are uncovered by X-ray absorption spectroscopy and computational simulation.« less

[Social learning as an uncertainty-reduction strategy: an adaptationist approach].

PubMed

Nakanishi, Daisuke; Kameda, Tatsuya; Shinada, Mizuho

2003-04-01

Social learning is an effective mechanism to reduce uncertainty about environmental knowledge, helping individuals adopt an adaptive behavior in the environment at small cost. Although this is evident for learning about temporally stable targets (e.g., acquiring avoidance of toxic foods culturally), the functional value of social learning in a temporally unstable environment is less clear; knowledge acquired by social learning may be outdated. This paper addressed adaptive values of social learning in a non-stationary environment empirically. When individual learning about the non-stationary environment is costly, a hawk-dove-game-like equilibrium is expected to emerge in the population, where members who engage in costly individual learning and members who skip the information search and free-ride on other members' search efforts coexist at a stable ratio. Such a "producer-scrounger" structure should qualify effectiveness of social/cultural learning severely, especially "conformity bias" when using social information (Boyd & Richerson, 1985). We tested these predictions by an experiment implementing a non-stationary uncertain environment in a laboratory. The results supported our thesis. Implications of these findings and some future directions were discussed.

Structural properties of iron and nickel mixed oxide nano particles.

NASA Astrophysics Data System (ADS)

Dehipawala, Sunil; Samarasekara, Pubudu; Gafney, Harry

Small scale magnets have very high technological importance today. Instead of traditional expensive methods, scientists are exploring new low cost methods to produce micro magnets. We synthesized thin film magnets containing iron and nickel oxides. Films will be synthesized using sol-gel method and spin coating technique. Several different precursor concentrations were tested to find out the ideal concentrations for stable thin films. Structural properties of iron and nickel oxide particles were investigated using X-ray absorption and Mossbauer spectroscopy. PSC-CUNY.

Rapid and high throughput fabrication of high temperature stable structures through PDMS transfer printing

NASA Astrophysics Data System (ADS)

Hohenberger, Erik; Freitag, Nathan; Korampally, Venumadhav

2017-07-01

We report on a facile and low cost fabrication approach for structures—gratings and enclosed nanochannels, through simple solution processed chemistries in conjunction with nanotransfer printing techniques. The ink formulation primarily consisting of an organosilicate polymeric network with a small percentage of added 3-aminopropyl triethoxysilane crosslinker allows one to obtain robust structures that are not only stable towards high temperature processing steps as high as 550 °C but also exhibit exceptional stability against a host of organic solvent washes. No discernable structure distortion was observed compared to the as-printed structures (room temperature processed) when printed structures were subjected to temperatures as high as 550 °C. We further demonstrate the applicability of this technique towards the fabrication of more complex nanostructures such as enclosed channels through a double transfer method, leveraging the exceptional room temperature cross-linking ability of the printed structures and their subsequent resistance to dissolution in organic solvent washes. The exceptional temperature and physico-chemical stability of the nanotransfer printed structures makes this a useful fabrication tool that may be applied as is, or integrated with conventional lithographic techniques for the large area fabrication of functional nanostructures and devices.

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

NASA Astrophysics Data System (ADS)

Mu, Yan; Gao, Yi Qin

2007-09-01

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

Analysis on Inpatient Health Expenditures of Renal Cell Carcinoma in a Grade-A Tertiary Hospital in Beijing.

PubMed

Liu, Xin; Mao, Yong-Hui; He, Xue-Mei; Zhang, Yan-Jing; Sun, Ying

2017-10-20

Renal cell carcinoma (RCC) is the most common type of malignant renal tumors with a growing incidence in the recent years. This study aimed to investigate the influencing factors and variation trend of hospitalization expenditures among RCC patients in a single-centered hospital in Beijing during 5 consecutive years and to find the major cost items and fluctuation tendency of inpatient medical expenditures. The information of medical expenditures among RCC patients in a Grade-A tertiary hospital during the years 2012-2016 was investigated to find the main cost items and changes affecting the medical cost structure. Gray correlation method was adopted in quantitative analysis to analyze the composition of medical expenditures, and the variation of hospitalization expense structure during the five years was studied by analyzing the degree of structural variation. The cost item constitution of the hospitalization expenditures among RCC patients was relatively stable in the sample hospital during the past five years. To be specific, drug costs accounted for the largest proportion of medical expenditures each year, with the highest of 37.81% in 2012, and showed a slowly declining tendency in the coming years. The cost item with the highest correlation degree was drug costs, with the value of 1.0000; followed by the costs of surgeries, 0.8423. Furthermore, drug costs shared the largest proportion (40.95%) of structural variation, followed by the costs of surgeries (18.35%). Drug costs are the major influencing factors of the hospitalization expenditures among RCC patients. Thus, reasonable control on excessive drugs as well as the standardization of the diagnosis and treatment behaviors is conducive in reducing medical expenditures as well as easing patients' economic burdens. Besides, the positive growth on surgery costs suggests that the labor value of medical staffs has been gradually recognized.

Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.

PubMed

Dror, Adi; Kanteev, Margarita; Kagan, Irit; Gihaz, Shalev; Shahar, Anat; Fishman, Ayelet

2015-11-01

Enzymatic production of biodiesel by transesterification of triglycerides and alcohol, catalyzed by lipases, offers an environmentally friendly and efficient alternative to the chemically catalyzed process while using low-grade feedstocks. Methanol is utilized frequently as the alcohol in the reaction due to its reactivity and low cost. However, one of the major drawbacks of the enzymatic system is the presence of high methanol concentrations which leads to methanol-induced unfolding and inactivation of the biocatalyst. Therefore, a methanol-stable lipase is of great interest for the biodiesel industry. In this study, protein engineering was applied to substitute charged surface residues with hydrophobic ones to enhance the stability in methanol of a lipase from Geobacillus stearothermophilus T6. We identified a methanol-stable variant, R374W, and combined it with a variant found previously, H86Y/A269T. The triple mutant, H86Y/A269T/R374W, had a half-life value at 70 % methanol of 324 min which reflects an 87-fold enhanced stability compared to the wild type together with elevated thermostability in buffer and in 50 % methanol. This variant also exhibited an improved biodiesel yield from waste chicken oil compared to commercial Lipolase 100L® and Novozyme® CALB. Crystal structures of the wild type and the methanol-stable variants provided insights regarding structure-stability correlations. The most prominent features were the extensive formation of new hydrogen bonds between surface residues directly or mediated by structural water molecules and the stabilization of Zn and Ca binding sites. Mutation sites were also characterized by lower B-factor values calculated from the X-ray structures indicating improved rigidity.

Stiff, Thermally Stable and Highly Anisotropic Wood-Derived Carbon Composite Monoliths for Electromagnetic Interference Shielding.

PubMed

Yuan, Ye; Sun, Xianxian; Yang, Minglong; Xu, Fan; Lin, Zaishan; Zhao, Xu; Ding, Yujie; Li, Jianjun; Yin, Weilong; Peng, Qingyu; He, Xiaodong; Li, Yibin

2017-06-28

Electromagnetic interference (EMI) shielding materials for electronic devices in aviation and aerospace not only need lightweight and high shielding effectiveness, but also should withstand harsh environments. Traditional EMI shielding materials often show heavy weight, poor thermal stability, short lifetime, poor tolerance to chemicals, and are hard-to-manufacture. Searching for high-efficiency EMI shielding materials overcoming the above weaknesses is still a great challenge. Herein, inspired by the unique structure of natural wood, lightweight and highly anisotropic wood-derived carbon composite EMI shielding materials have been prepared which possess not only high EMI shielding performance and mechanical stable characteristics, but also possess thermally stable properties, outperforming those metals, conductive polymers, and their composites. The newly developed low-cost materials are promising for specific applications in aerospace electronic devices, especially regarding extreme temperatures.

Non-flammable polyimide materials for aircraft and spacecraft applications

NASA Technical Reports Server (NTRS)

Gagliani, J.; Supkis, D. E.

1979-01-01

Recent developments in polyimide chemistry show promise for producing materials with very low flammability and a wide range of mechanical properties. Polyimide foams can be synthesized to provide fire safety without detectable formation of smoke or toxic byproducts below 204 C (400 F), thus avoiding an environment which is lethal to human habitation. This work has been and is currently being performed under development programs, the objective of which is to provide cost effective processes for producing thermally stable, polyimide flexible resilient foams, thermal-acoustical insulating materials, rigid low density foam panels, and high strength foam structures. The chemical and physical properties demonstrated by these materials represent a technological advancement in the art of thermally stable polyimide polymers which are expected to insure fire protection of structures and components used in air transportation and space exploration. Data compiled to date on thermal, physical and functional properties of these materials are presented.

High-wafer-yield, high-performance vertical cavity surface-emitting lasers

NASA Astrophysics Data System (ADS)

Li, Gabriel S.; Yuen, Wupen; Lim, Sui F.; Chang-Hasnain, Constance J.

1996-04-01

Vertical cavity surface emitting lasers (VCSELs) with very low threshold current and voltage of 340 (mu) A and 1.5 V is achieved. The molecular beam epitaxially grown wafers are grown with a highly accurate, low cost and versatile pre-growth calibration technique. One- hundred percent VCSEL wafer yield is obtained. Low threshold current is achieved with a native oxide confined structure with excellent current confinement. Single transverse mode with stable, predetermined polarization direction up to 18 times threshold is also achieved, due to stable index guiding provided by the structure. This is the highest value reported to data for VCSELs. We have established that p-contact annealing in these devices is crucial for low voltage operation, contrary to the general belief. Uniform doping in the mirrors also appears not to be inferior to complicated doping engineering. With these design rules, very low threshold voltage VCSELs are achieved with very simple growth and fabrication steps.

Vertically aligned single-walled carbon nanotubes as low-cost and high electrocatalytic counter electrode for dye-sensitized solar cells.

PubMed

Dong, Pei; Pint, Cary L; Hainey, Mel; Mirri, Francesca; Zhan, Yongjie; Zhang, Jing; Pasquali, Matteo; Hauge, Robert H; Verduzco, Rafael; Jiang, Mian; Lin, Hong; Lou, Jun

2011-08-01

A novel dye-sensitized solar cell (DSSC) structure using vertically aligned single-walled carbon nanotubes (VASWCNTs) as the counter electrode has been developed. In this design, the VASWCNTs serve as a stable high surface area and highly active electrocatalytic counter-electrode that could be a promising alternative to the conventional Pt analogue. Utilizing a scalable dry transfer approach to form a VASWCNTs conductive electrode, the DSSCs with various lengths of VASWCNTs were studied. VASWCNTs-DSSC with 34 μm original length was found to be the optimal choice in the present study. The highest conversion efficiencies of VASWCNTs-DSSC achieved 5.5%, which rivals that of the reference Pt DSSC. From the electrochemical impedance spectroscopy analysis, it shows that the new DSSC offers lower interface resistance between the electrolyte and the counter electrode. This reproducible work emphasizes the promise of VASWCNTs as efficient and stable counter electrode materials in DSSC device design, especially taking into account the low-cost merit of this promising material.

Novel Euler-LaCoste linkage as a very low frequency vertical vibration isolator.

PubMed

Hosain, M A; Sirr, A; Ju, L; Blair, D G

2012-08-01

LaCoste linkage vibration isolators have shown excellent performance for ultra-low frequency vertical vibration isolation. However, such isolators depend on the use of conventional pre-stressed coil springs, which suffer from creep. Here, we show that compressional Euler springs can be configured to create a stable tension unit for use in a LaCoste structure. In a proof of concept experiment, we demonstrate a vertical resonance frequency of 0.15 Hz in an Euler-LaCoste configuration with 200 mm height. The system enables the use of very low creep maraging steel as spring elements to eliminate the creep while minimising spring mass and reducing the effect of parasitic resonances. Larger scale systems with optimized Euler spring boundary conditions should achieve performance suitable for applications on third generation gravitational wave detectors such as the proposed Einstein telescope.

Materials for Adaptive Structural Acoustic Control. Volume 3

DTIC Science & Technology

1994-04-11

criteria have been met for a partcular application, it then becomes advantageous to reduce costs by miniaturizing and/or reducing the power delivered...MAELSG FRintended to develop motion or vibration. such as high power COUPLING sonar, while a high g constant is desirable for sensor Histor of...which is another stable chips, which must be adjusted using solid- power and miniaturization. crystal slate in which the relative positions stale

Cluster analysis and its application to healthcare claims data: a study of end-stage renal disease patients who initiated hemodialysis.

PubMed

Liao, Minlei; Li, Yunfeng; Kianifard, Farid; Obi, Engels; Arcona, Stephen

2016-03-02

Cluster analysis (CA) is a frequently used applied statistical technique that helps to reveal hidden structures and "clusters" found in large data sets. However, this method has not been widely used in large healthcare claims databases where the distribution of expenditure data is commonly severely skewed. The purpose of this study was to identify cost change patterns of patients with end-stage renal disease (ESRD) who initiated hemodialysis (HD) by applying different clustering methods. A retrospective, cross-sectional, observational study was conducted using the Truven Health MarketScan® Research Databases. Patients aged ≥18 years with ≥2 ESRD diagnoses who initiated HD between 2008 and 2010 were included. The K-means CA method and hierarchical CA with various linkage methods were applied to all-cause costs within baseline (12-months pre-HD) and follow-up periods (12-months post-HD) to identify clusters. Demographic, clinical, and cost information was extracted from both periods, and then examined by cluster. A total of 18,380 patients were identified. Meaningful all-cause cost clusters were generated using K-means CA and hierarchical CA with either flexible beta or Ward's methods. Based on cluster sample sizes and change of cost patterns, the K-means CA method and 4 clusters were selected: Cluster 1: Average to High (n = 113); Cluster 2: Very High to High (n = 89); Cluster 3: Average to Average (n = 16,624); or Cluster 4: Increasing Costs, High at Both Points (n = 1554). Median cost changes in the 12-month pre-HD and post-HD periods increased from $185,070 to $884,605 for Cluster 1 (Average to High), decreased from $910,930 to $157,997 for Cluster 2 (Very High to High), were relatively stable and remained low from $15,168 to $13,026 for Cluster 3 (Average to Average), and increased from $57,909 to $193,140 for Cluster 4 (Increasing Costs, High at Both Points). Relatively stable costs after starting HD were associated with more stable scores on comorbidity index scores from the pre-and post-HD periods, while increasing costs were associated with more sharply increasing comorbidity scores. The K-means CA method appeared to be the most appropriate in healthcare claims data with highly skewed cost information when taking into account both change of cost patterns and sample size in the smallest cluster.

The educational and financial impact of using patient educators to teach introductory physical exam skills.

PubMed

Allen, Sharon S; Miller, Jane; Ratner, Edward; Santilli, Jamie

2011-01-01

Physical exam skills are essential to core competencies for physicians in training. It is increasingly difficult to secure time and funding for physician faculty to teach these critical skills. This study was designed to determine whether Patient Educators (PE) (non-physician instructors) in an introductory clinical medicine (ICM) course (1) were as effective as physician faculty in teaching the physical exam, (2) impacted consistency of student performance on a final practical exam, and (3) whether this model was cost effective. PE were introduced into an ICM course at the University of Minnesota from 2006 to 2008. Each year, students' physical exam competencies were evaluated by a performance-based head-to-toe examination and 6 months later by an objective structured clinical examination (OSCE). Differences in test scores between years and variability (i.e., consistency) among yearly scores were assessed. The cost per student was calculated by considering a stable compensation cost per hour for the required number of physician faculty, standardized patients, and PE in each year. Mean student performance was statistically lower with PE, but only by two percentage points. The amount of variation within the medical student classes' physical exam skills remained stable as the use of PE expanded. Total educator salary costs per student declined from $449 in 2006 to $196 in 2008. In terms of sustainability and student performance, the use of trained lay educators has equivalent outcomes and is less costly for physical exam instruction in the pre-clinical years.

Toward highly efficient electrocatalyst for Li–O 2 batteries using biphasic N-doping cobalt@graphene multiple-capsule heterostructures

DOE PAGES

Tan, Guoqiang; Chong, Lina; Amine, Rachid; ...

2017-04-12

To promote lithium-oxygen batteries available for practical applications, the development of advanced cathode catalysts with low-cost, high activity and stable structural properties is demanded. Such development is rooted on certain intelligent catalyst-electrode design that fundamentally facilitates electronic and ionic transport, and improves oxygen diffusivity in a porous environment. Here we design a biphasic nitrogen-doped cobalt@graphene multiple-capsule heterostructure, combined with a flexible, stable porous electrode architecture, and apply it as promising cathodes for lithium-oxygen cells. The biphasic nitrogen-doping feature improves the electric conductivity and catalytic activity; the multiple-nanocapsule configuration makes high/uniform electro-active zones possible; furthermore, the colander-like porous electrode facilitates themore » oxygen diffusion, catalytic reaction, and stable deposition of discharge products. Finally, the electrode exhibits much improved electrocatalytic properties associated with unique morphologies of electrochemically grown lithium peroxides.« less

Toward highly efficient electrocatalyst for Li–O 2 batteries using biphasic N-doping cobalt@graphene multiple-capsule heterostructures

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

Tan, Guoqiang; Chong, Lina; Amine, Rachid

To promote lithium-oxygen batteries available for practical applications, the development of advanced cathode catalysts with low-cost, high activity and stable structural properties is demanded. Such development is rooted on certain intelligent catalyst-electrode design that fundamentally facilitates electronic and ionic transport, and improves oxygen diffusivity in a porous environment. Here we design a biphasic nitrogen-doped cobalt@graphene multiple-capsule heterostructure, combined with a flexible, stable porous electrode architecture, and apply it as promising cathodes for lithium-oxygen cells. The biphasic nitrogen-doping feature improves the electric conductivity and catalytic activity; the multiple-nanocapsule configuration makes high/uniform electro-active zones possible; furthermore, the colander-like porous electrode facilitates themore » oxygen diffusion, catalytic reaction, and stable deposition of discharge products. Finally, the electrode exhibits much improved electrocatalytic properties associated with unique morphologies of electrochemically grown lithium peroxides.« less

Toward Highly Efficient Electrocatalyst for Li-O2 Batteries Using Biphasic N-Doping Cobalt@Graphene Multiple-Capsule Heterostructures.

PubMed

Tan, Guoqiang; Chong, Lina; Amine, Rachid; Lu, Jun; Liu, Cong; Yuan, Yifei; Wen, Jianguo; He, Kun; Bi, Xuanxuan; Guo, Yuanyuan; Wang, Hsien-Hau; Shahbazian-Yassar, Reza; Al Hallaj, Said; Miller, Dean J; Liu, Dijia; Amine, Khalil

2017-05-10

For the promotion of lithium-oxygen batteries available for practical applications, the development of advanced cathode catalysts with low-cost, high activity, and stable structural properties is demanded. Such development is rooted on certain intelligent catalyst-electrode design that fundamentally facilitates electronic and ionic transport and improves oxygen diffusivity in a porous environment. Here we design a biphasic nitrogen-doped cobalt@graphene multiple-capsule heterostructure, combined with a flexible, stable porous electrode architecture, and apply it as promising cathodes for lithium-oxygen cells. The biphasic nitrogen-doping feature improves the electric conductivity and catalytic activity; the multiple-nanocapsule configuration makes high/uniform electroactive zones possible; furthermore, the colander-like porous electrode facilitates the oxygen diffusion, catalytic reaction, and stable deposition of discharge products. As a result, the electrode exhibits much improved electrocatalytic properties associated with unique morphologies of electrochemically grown lithium peroxides.

Catalytic activity and stability of oxides: The role of near-surface atomic structures and compositions

DOE PAGES

Feng, Zhenxing; Hong, Wesley T.; Fong, Dillon D.; ...

2016-05-05

Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal$-$air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive andhave shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Here, detailed studies of the oxide surface atomicmore » structure and chemistry (e.g.,cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts.« less

Healthcare utilization and costs in adults with stable and uncontrolled epilepsy.

PubMed

Cramer, Joyce A; Wang, Zhixiao J; Chang, Eunice; Powers, Annette; Copher, Ronda; Cherepanov, Dasha; Broder, Michael S

2014-02-01

Despite the availability of numerous antiepileptic drugs (AEDs), some epilepsies remain resistant to treatment. We compared utilization and costs in patients with uncontrolled epilepsy to those with stable epilepsy. Claims data (2007-2009) were used to identify adults with epilepsy requiring additional AED therapy (having uncontrolled epilepsy) and those not requiring additional AED therapy (having stable epilepsy). The date in 2008 on which an additional AED was started was the index date for patients with uncontrolled epilepsy, and a randomly selected date was used for patients with stable epilepsy, whose AED use was unchanged in the preceding year. In the postindex year, all pharmacy and medical claims were used to estimate overall utilization and costs; claims with epilepsy in any diagnosis field were used to estimate epilepsy-related outcomes. Outcomes were adjusted using multivariate analyses. We identified 1536 patients with uncontrolled epilepsy and 8571 patients with stable epilepsy (mean age: 42.8years; female: 48%). Patients with uncontrolled epilepsy had higher comorbidity rates (p<.02). A greater proportion of patients with uncontrolled epilepsy had ≥1 hospitalization or emergency department visit (p<.001). Patients with uncontrolled epilepsy had a greater mean length of hospital stay and more physician office visits (p<.034). After adjustment, the odds of hospitalization (OR: 1.8, any diagnosis; 2.2, epilepsy-related) and emergency department visit (OR: 1.6, any diagnosis; 1.9, epilepsy-related) were greater for patients with uncontrolled epilepsy. Annual overall ($23,238 vs. $13,839) and epilepsy-related ($12,399 vs. $5511) costs were higher in patients with uncontrolled epilepsy and remained higher after adjustment (p<.001). Patients with uncontrolled epilepsy use more services and incur higher costs compared with those with stable epilepsy. Epilepsy-related costs accounted for <50% of the total costs, suggesting that comorbid conditions and/or underidentification of utilization may substantially contribute to costs. © 2013.

Ultrathin dendrimer-graphene oxide composite film for stable cycling lithium-sulfur batteries.

PubMed

Liu, Wen; Jiang, Jianbing; Yang, Ke R; Mi, Yingying; Kumaravadivel, Piranavan; Zhong, Yiren; Fan, Qi; Weng, Zhe; Wu, Zishan; Cha, Judy J; Zhou, Henghui; Batista, Victor S; Brudvig, Gary W; Wang, Hailiang

2017-04-04

Lithium-sulfur batteries (Li-S batteries) have attracted intense interest because of their high specific capacity and low cost, although they are still hindered by severe capacity loss upon cycling caused by the soluble lithium polysulfide intermediates. Although many structure innovations at the material and device levels have been explored for the ultimate goal of realizing long cycle life of Li-S batteries, it remains a major challenge to achieve stable cycling while avoiding energy and power density compromises caused by the introduction of significant dead weight/volume and increased electrochemical resistance. Here we introduce an ultrathin composite film consisting of naphthalimide-functionalized poly(amidoamine) dendrimers and graphene oxide nanosheets as a cycling stabilizer. Combining the dendrimer structure that can confine polysulfide intermediates chemically and physically together with the graphene oxide that renders the film robust and thin (<1% of the thickness of the active sulfur layer), the composite film is designed to enable stable cycling of sulfur cathodes without compromising the energy and power densities. Our sulfur electrodes coated with the composite film exhibit very good cycling stability, together with high sulfur content, large areal capacity, and improved power rate.

Structuring unbreakable hydrophobic barriers in paper

NASA Astrophysics Data System (ADS)

Nargang, Tobias M.; Kotz, Frederik; Rapp, Bastian E.

2018-02-01

Hydrophobic barriers are one of the key elements of microfluidic paper based analytical devices (μPADs).μPADs are simple and cost efficient and they can be carried out without the need of high standard laboratories. To carry out such a test a method is needed to create stable hydrophobic barriers. Commonly used methods like printing wax or polystyrene have the major drawback that these barriers are stiff and break if bended which means they will no longer be able to retain a liquid sample. Here we present silanes to structure hydrophobic barriers via polycondensation and show a silanization method which combines the advantages of flexible silane/siloxane layers with the short processing times of UV-light based structuring. The barriers are created by using methoxy silanes which are mixed with a photo acid generator (PAG) as photoinitiator. Also a photosensitizer was given to the mixture to increase the effectiveness of the PAG. After the PAG is activated by UV-light the silane is hydrolyzed and coupled to the cellulose via polycondensation. The created hydrophobic barriers are highly stable and do not break if being bended.

CeSiCò - a new technology for lightweight and cost effective space instruments structures and mirrors

NASA Astrophysics Data System (ADS)

Devilliers, Christophe; Krödel, Matthias

2017-11-01

Alcatel Alenia Space and ECM have jointly developed a new ceramic material to produce lightweight, stiff, stable and cost effective structures and mirrors for space instrument the CesicÒ. Its intrinsic properties, added to ample manufacturing capabilities allow to manufacture stiff and lightweight cost effective mirrors and structure for space instruments. Different scale 1 flight representative CesicÒ optical structures have been manufactured and successfully tested under very strong dynamic environment and cryogenic condition down to 30K CesicÒ is also envisaged for large and lightweight space telescopes mirrors, a large CesicÒ 1 meter class mirror with an area mass of less than 25 Kg/m2 has been sized again launch loads and WFE performance and manufactured. CesicÒ applicability for large focal plane have been demonstrated through different scale 1 breadboards. Based on these successful results, AlcatelAleniaSpace and ECM are now in position to propose for space this technology with new innovative concepts thanks to the CesicÒ manufacturing capabilities. CesicÒ has therefore been selected for the structure and mirrors parts of a flight instrument payload and the manufacturing of the flight hardware is already underway. An high temperature high gain lightweight antenna breadboard is also under manufacturing for Bepi colombo mission. CesicÒ is therefore a good candidate for future challenging space instruments and is currently proposed for Japan and US space projects.

High-pressure phases of Mg2Si from first principles

NASA Astrophysics Data System (ADS)

Huan, Tran Doan; Tuoc, Vu Ngoc; Le, Nam Ba; Minh, Nguyen Viet; Woods, Lilia M.

2016-03-01

First-principles calculations are presented to resolve the possible pressure-dependent phases of Mg2Si . Although previous reports show that Mg2Si is characterized by the cubic antifluorite F m 3 ¯m structure at low pressures, the situation at higher pressures is less clear with many contradicting results. Here we utilize several methods to examine the stability, electron, phonon, and transport properties of this material as a function of pressure and temperature. We find that Mg2Si is thermodynamically stable at low and high pressures. Between 6 and 24 GPa, Mg2Si can transform into Mg9Si5 , a defected compound, and vice versa, without energy cost. Perhaps this result is related to the aforementioned inconsistency in the structures reported for Mg2Si within this pressure range. Focusing solely on Mg2Si , we find a new monoclinic C 2 /m structure of Mg2Si , which is stable at high pressures within thermodynamical considerations. The calculated electrical conductivity and Seebeck coefficient taking into account results from the electronic structure calculations help us understand better how transport can be affected in this material by modulating pressure and temperature.

Static network structure can stabilize human cooperation.

PubMed

Rand, David G; Nowak, Martin A; Fowler, James H; Christakis, Nicholas A

2014-12-02

The evolution of cooperation in network-structured populations has been a major focus of theoretical work in recent years. When players are embedded in fixed networks, cooperators are more likely to interact with, and benefit from, other cooperators. In theory, this clustering can foster cooperation on fixed networks under certain circumstances. Laboratory experiments with humans, however, have thus far found no evidence that fixed network structure actually promotes cooperation. Here, we provide such evidence and help to explain why others failed to find it. First, we show that static networks can lead to a stable high level of cooperation, outperforming well-mixed populations. We then systematically vary the benefit that cooperating provides to one's neighbors relative to the cost required to cooperate (b/c), as well as the average number of neighbors in the network (k). When b/c > k, we observe high and stable levels of cooperation. Conversely, when b/c ≤ k or players are randomly shuffled, cooperation decays. Our results are consistent with a quantitative evolutionary game theoretic prediction for when cooperation should succeed on networks and, for the first time to our knowledge, provide an experimental demonstration of the power of static network structure for stabilizing human cooperation.

Static network structure can stabilize human cooperation

PubMed Central

Rand, David G.; Nowak, Martin A.; Fowler, James H.; Christakis, Nicholas A.

2014-01-01

The evolution of cooperation in network-structured populations has been a major focus of theoretical work in recent years. When players are embedded in fixed networks, cooperators are more likely to interact with, and benefit from, other cooperators. In theory, this clustering can foster cooperation on fixed networks under certain circumstances. Laboratory experiments with humans, however, have thus far found no evidence that fixed network structure actually promotes cooperation. Here, we provide such evidence and help to explain why others failed to find it. First, we show that static networks can lead to a stable high level of cooperation, outperforming well-mixed populations. We then systematically vary the benefit that cooperating provides to one’s neighbors relative to the cost required to cooperate (b/c), as well as the average number of neighbors in the network (k). When b/c > k, we observe high and stable levels of cooperation. Conversely, when b/c ≤ k or players are randomly shuffled, cooperation decays. Our results are consistent with a quantitative evolutionary game theoretic prediction for when cooperation should succeed on networks and, for the first time to our knowledge, provide an experimental demonstration of the power of static network structure for stabilizing human cooperation. PMID:25404308

Structure and Magnetic Properties of Rare Earth Doped Transparent Alumina

NASA Astrophysics Data System (ADS)

Limmer, Krista; Neupane, Mahesh; Chantawansri, Tanya

Recent experimental studies of rare earth (RE) doped alumina suggest that the RE induced novel phase-dependent structural and magnetic properties. Motivated by these efforts, the effects of RE doping of alpha and theta alumina on the local structure, magnetic properties, and phase stability have been examined in this first principles study. Although a direct correlation between the magnetic field dependent materials properties observed experimentally and calculated from first principles is not feasible because of the applied field and the scale, the internal magnetic properties and other properties of the doped materials are evaluated. The RE dopants are shown to increase the substitutional site volume as well as increasingly distort the site structure as a function of ionic radii. Doping both the alpha (stable) and theta (metastable) phases enhanced the relative stability of the theta phase. The energetic doping cost and internal magnetic moment were shown to be a function of the electronic configuration of the RE-dopant, with magnetic moment directly proportional to the number of unpaired electrons and doping cost being inversely related.

Evolutionary snowdrift game incorporating costly punishment in structured populations

NASA Astrophysics Data System (ADS)

Chan, Nat W. H.; Xu, C.; Tey, Siew Kian; Yap, Yee Jiun; Hui, P. M.

2013-01-01

The role of punishment and the effects of a structured population in promoting cooperation are important issues. Within a recent model of snowdrift game (SG) incorporating a costly punishing strategy (P), we study the effects of a population connected through a square lattice. The punishers, who carry basically a cooperative (C) character, are willing to pay a cost α so as to punish a non-cooperative (D) opponent by β. Depending on α, β, the cost-to-benefit ratio r in SG, and the initial conditions, the system evolves into different phases that could be homogeneous or inhomogeneous. The spatial structure imposes geometrical constraint on how one agent is affected by neighboring agents. Results of extensive numerical simulations, both for the steady state and the dynamics, are presented. Possible phases are identified and discussed, and isolated phases in the r-β space are identified as special local structures of strategies that are stable due to the lattice structure. In contrast to a well-mixed population where punishers are suppressed due to the cost of punishment, the altruistic punishing strategy can flourish and prevail for appropriate values of the parameters, implying an enhancement in cooperation by imposing punishments in a structured population. The system could evolve to a phase corresponding to the coexistence of C, D, and P strategies at some particular payoff parameters, and such a phase is absent in a well-mixed population. The pair approximation, a commonly used analytic approach, is extended from a two-strategy system to a three-strategy system. We show that the pair approximation can, at best, capture the numerical results only qualitatively. Due to the improper way of including spatial correlation imposed by the lattice structure, the approximation does not give the frequencies of C, D, and P accurately and fails to give the homogeneous AllD and AllP phases.

Techno-economic requirements for composite aircraft components

NASA Technical Reports Server (NTRS)

Palmer, Ray

1993-01-01

The primary reason for use of composites is to save structural weight. A well designed composite aircraft structure will usually save 25-30 percent of a well designed metal structure. The weight savings then translates into improved performance of the aircraft in measures of greater payload, increased flying range or improved efficiency - less use of fuel. Composite materials offer technical advantages. Key technical advantages that composites offer are high stiffness, tailored strength capability, fatigue resistance, and corrosion resistance. Low thermal expansion properties produce dimensionally stable structures over a wide range of temperature. Specialty resin 'char' forming characteristics in a fire environment offer potential fire barrier application and safer aircraft. The materials and processes of composite fabrication offer the potential for lower cost structures in the near future. The application of composite materials to aircraft are discussed.

Exploring Individual and Structural Factors Associated with Employment Among Young Transgender Women of Color Using a No-Cost Transgender Legal Resource Center.

PubMed

Hill, Brandon J; Rosentel, Kris; Bak, Trevor; Silverman, Michael; Crosby, Richard; Salazar, Laura; Kipke, Michele

2017-01-01

The purpose of this study was to explore individual and structural factors associated with employment among young transgender women (TW) of color. Sixty-five trans women of color were recruited from the Transgender Legal Defense and Education Fund to complete a 30-min interviewer-assisted survey assessing sociodemographics, housing, workplace discrimination, job-seeking self-efficacy, self-esteem, perceived public passability, and transactional sex work. Logistic regression models revealed that stable housing (structural factor) and job-seeking self-efficacy (individual factor) were significantly associated with currently being employed. Our findings underscore the need for multilevel approaches to assist TW of color gain employment.

Community structure dynamics during startup in microbial fuel cells - The effect of phosphate concentrations.

PubMed

Yanuka-Golub, Keren; Reshef, Leah; Rishpon, Judith; Gophna, Uri

2016-07-01

For microbial fuel cells (MFCs) to become a cost-effective wastewater treatment technology, they must produce a stable electro-active microbial community quickly and operate under realistic wastewater nutrient conditions. The composition of the anodic-biofilm and planktonic-cells communities was followed temporally for MFCs operated under typical laboratory phosphate concentrations (134mgL(-1)P) versus wastewater phosphate concentrations (16mgL(-1)P). A stable peak voltage was attained two-fold faster in MFCs operating under lower phosphate concentration. All anodic-biofilms were composed of well-known exoelectrogenic bacterial families; however, MFCs showing faster startup and a stable voltage had a Desulfuromonadaceae-dominated-biofilm, while biofilms co-dominated by Desulfuromonadaceae and Geobacteraceae characterized slower or less stable MFCs. Interestingly,planktonic-cell concentrations of these bacteria followed a similar trend as the anodic-biofilm and could therefore serve as a biomarker for its formation. These results demonstrate that wastewater-phosphate concentrations do not compromise MFCs efficiency, and considerably speed up startup times. Copyright © 2016 Elsevier Ltd. All rights reserved.

Simple and cost-effective method of highly conductive and elastic carbon nanotube/polydimethylsiloxane composite for wearable electronics.

PubMed

Kim, Jeong Hun; Hwang, Ji-Young; Hwang, Ha Ryeon; Kim, Han Seop; Lee, Joong Hoon; Seo, Jae-Won; Shin, Ueon Sang; Lee, Sang-Hoon

2018-01-22

The development of various flexible and stretchable materials has attracted interest for promising applications in biomedical engineering and electronics industries. This interest in wearable electronics, stretchable circuits, and flexible displays has created a demand for stable, easily manufactured, and cheap materials. However, the construction of flexible and elastic electronics, on which commercial electronic components can be mounted through simple and cost-effective processing, remains challenging. We have developed a nanocomposite of carbon nanotubes (CNTs) and polydimethylsiloxane (PDMS) elastomer. To achieve uniform distributions of CNTs within the polymer, an optimized dispersion process was developed using isopropyl alcohol (IPA) and methyl-terminated PDMS in combination with ultrasonication. After vaporizing the IPA, various shapes and sizes can be easily created with the nanocomposite, depending on the mold. The material provides high flexibility, elasticity, and electrical conductivity without requiring a sandwich structure. It is also biocompatible and mechanically stable, as demonstrated by cytotoxicity assays and cyclic strain tests (over 10,000 times). We demonstrate the potential for the healthcare field through strain sensor, flexible electric circuits, and biopotential measurements such as EEG, ECG, and EMG. This simple and cost-effective fabrication method for CNT/PDMS composites provides a promising process and material for various applications of wearable electronics.

Lightweight ZERODUR: a cost-effective thermally stable approach to both large and small spaceborne telescopes

NASA Astrophysics Data System (ADS)

Hull, Tony; Westerhoff, Thomas

2014-06-01

ZERODUR®, known as the "gold standard" material for systems which require dimensional stability in the presence of gradients and transients, is now available lightweighted to the 85% to 90% level for use in high performance spaceborne telescopes and sensor systems. This establishes a design option that may have cost, testability, performance and risk advantages for an entire sensor system payload. The technical approach to making these primary mirrors is the same, whether the aperture is <0.3m to <4.0m. Since each mirror blank is made from a single monolithic billet of near zero-expansion, isotropic and homogeneous ZERODUR® material, the resulting mirror is very stable over a wide range of scenes and orbits, with minimal to no need for ancillary thermal stability and wavefront sensing and control systems. Telescopes using ZERODUR® and low expansion metering structures can accommodate thermal design challenges of both non-thermal (UV, VIS, LLLTV, NIR, SWIR and mm) and thermal (MWIR, LWIR) imaging systems, and deliver optimal performance. This lightweight mirror technology is discussed, with actual examples by SCHOTT of 0.3m and 1.2m mirrors presented. Lightweight ZERODUR® mirrors offer superior optical performance, attractive cost and aggressive lead times, and are available to present and future spaceborne sensor trades.

Simultaneous Purification and Perforation of Low-Grade Si Sources for Lithium-Ion Battery Anode.

PubMed

Jin, Yan; Zhang, Su; Zhu, Bin; Tan, Yingling; Hu, Xiaozhen; Zong, Linqi; Zhu, Jia

2015-11-11

Silicon is regarded as one of the most promising candidates for lithium-ion battery anodes because of its abundance and high theoretical capacity. Various silicon nanostructures have been heavily investigated to improve electrochemical performance by addressing issues related to structure fracture and unstable solid-electrolyte interphase (SEI). However, to further enable widespread applications, scalable and cost-effective processes need to be developed to produce these nanostructures at large quantity with finely controlled structures and morphologies. In this study, we develop a scalable and low cost process to produce porous silicon directly from low grade silicon through ball-milling and modified metal-assisted chemical etching. The morphology of porous silicon can be drastically changed from porous-network to nanowire-array by adjusting the component in reaction solutions. Meanwhile, this perforation process can also effectively remove the impurities and, therefore, increase Si purity (up to 99.4%) significantly from low-grade and low-cost ferrosilicon (purity of 83.4%) sources. The electrochemical examinations indicate that these porous silicon structures with carbon treatment can deliver a stable capacity of 1287 mAh g(-1) over 100 cycles at a current density of 2 A g(-1). This type of purified porous silicon with finely controlled morphology, produced by a scalable and cost-effective fabrication process, can also serve as promising candidates for many other energy applications, such as thermoelectrics and solar energy conversion devices.

Thermal stability, storage and release of proteins with tailored fit in silica

NASA Astrophysics Data System (ADS)

Chen, Yun-Chu; Smith, Tristan; Hicks, Robert H.; Doekhie, Aswin; Koumanov, Francoise; Wells, Stephen A.; Edler, Karen J.; van den Elsen, Jean; Holman, Geoffrey D.; Marchbank, Kevin J.; Sartbaeva, Asel

2017-04-01

Biological substances based on proteins, including vaccines, antibodies, and enzymes, typically degrade at room temperature over time due to denaturation, as proteins unfold with loss of secondary and tertiary structure. Their storage and distribution therefore relies on a “cold chain” of continuous refrigeration; this is costly and not always effective, as any break in the chain leads to rapid loss of effectiveness and potency. Efforts have been made to make vaccines thermally stable using treatments including freeze-drying (lyophilisation), biomineralisation, and encapsulation in sugar glass and organic polymers. Here for the first time we show that proteins can be enclosed in a deposited silica “cage”, rendering them stable against denaturing thermal treatment and long-term ambient-temperature storage, and subsequently released into solution with their structure and function intact. This “ensilication” method produces a storable solid protein-loaded material without the need for desiccation or freeze-drying. Ensilication offers the prospect of a solution to the “cold chain” problem for biological materials, in particular for vaccines.

Thermal stability, storage and release of proteins with tailored fit in silica.

PubMed

Chen, Yun-Chu; Smith, Tristan; Hicks, Robert H; Doekhie, Aswin; Koumanov, Francoise; Wells, Stephen A; Edler, Karen J; van den Elsen, Jean; Holman, Geoffrey D; Marchbank, Kevin J; Sartbaeva, Asel

2017-04-24

Biological substances based on proteins, including vaccines, antibodies, and enzymes, typically degrade at room temperature over time due to denaturation, as proteins unfold with loss of secondary and tertiary structure. Their storage and distribution therefore relies on a "cold chain" of continuous refrigeration; this is costly and not always effective, as any break in the chain leads to rapid loss of effectiveness and potency. Efforts have been made to make vaccines thermally stable using treatments including freeze-drying (lyophilisation), biomineralisation, and encapsulation in sugar glass and organic polymers. Here for the first time we show that proteins can be enclosed in a deposited silica "cage", rendering them stable against denaturing thermal treatment and long-term ambient-temperature storage, and subsequently released into solution with their structure and function intact. This "ensilication" method produces a storable solid protein-loaded material without the need for desiccation or freeze-drying. Ensilication offers the prospect of a solution to the "cold chain" problem for biological materials, in particular for vaccines.

Cost-effectiveness of anatomical and functional test strategies for stable chest pain: public health perspective from a middle-income country.

PubMed

Bertoldi, Eduardo G; Stella, Steffen F; Rohde, Luis Eduardo P; Polanczyk, Carisi A

2017-05-04

The aim of this research is to evaluate the relative cost-effectiveness of functional and anatomical strategies for diagnosing stable coronary artery disease (CAD), using exercise (Ex)-ECG, stress echocardiogram (ECHO), single-photon emission CT (SPECT), coronary CT angiography (CTA) or stress cardiacmagnetic resonance (C-MRI). Decision-analytical model, comparing strategies of sequential tests for evaluating patients with possible stable angina in low, intermediate and high pretest probability of CAD, from the perspective of a developing nation's public healthcare system. Hypothetical cohort of patients with pretest probability of CAD between 20% and 70%. The primary outcome is cost per correct diagnosis of CAD. Proportion of false-positive or false-negative tests and number of unnecessary tests performed were also evaluated. Strategies using Ex-ECG as initial test were the least costly alternatives but generated more frequent false-positive initial tests and false-negative final diagnosis. Strategies based on CTA or ECHO as initial test were the most attractive and resulted in similar cost-effectiveness ratios (I$ 286 and I$ 305 per correct diagnosis, respectively). A strategy based on C-MRI was highly effective for diagnosing stable CAD, but its high cost resulted in unfavourable incremental cost-effectiveness (ICER) in moderate-risk and high-risk scenarios. Non-invasive strategies based on SPECT have been dominated. An anatomical diagnostic strategy based on CTA is a cost-effective option for CAD diagnosis. Functional strategies performed equally well when based on ECHO. C-MRI yielded acceptable ICER only at low pretest probability, and SPECT was not cost-effective in our analysis. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Challenges for the aircraft structural integrity program

NASA Technical Reports Server (NTRS)

Lincoln, John W.

1994-01-01

Thirty-six years ago the United States Air Force established the USAF Aircraft Structural Integrity Program (ASIP) because flight safety had been degraded by fatigue failures of operational aircraft. This initial program evolved, but has been stable since the issuance of MIL-STD-1530A in 1975. Today, the program faces new challenges because of a need to maintain aircraft longer in an environment of reduced funding levels. Also, there is increased pressure to reduce cost of the acquisition of new aircraft. It is the purpose of this paper to discuss the challenges for the ASIP and identify the changes in the program that will meet these challenges in the future.

Exploring Individual and Structural Factors Associated with Employment Among Young Transgender Women of Color Using a No-Cost Transgender Legal Resource Center

PubMed Central

Hill, Brandon J.; Rosentel, Kris; Bak, Trevor; Silverman, Michael; Crosby, Richard; Salazar, Laura; Kipke, Michele

2017-01-01

Abstract Purpose: The purpose of this study was to explore individual and structural factors associated with employment among young transgender women (TW) of color. Methods: Sixty-five trans women of color were recruited from the Transgender Legal Defense and Education Fund to complete a 30-min interviewer-assisted survey assessing sociodemographics, housing, workplace discrimination, job-seeking self-efficacy, self-esteem, perceived public passability, and transactional sex work. Results: Logistic regression models revealed that stable housing (structural factor) and job-seeking self-efficacy (individual factor) were significantly associated with currently being employed. Conclusion: Our findings underscore the need for multilevel approaches to assist TW of color gain employment. PMID:28795154

Co-Percolating Graphene-Wrapped Silver Nanowire Network for High Performance, Highly Stable, Transparent Conducting Electrodes

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

Chen, Ruiyi; Das, Suprem R; Jeong, Changwook

Transparent conducting electrodes (TCEs) require high transparency and low sheet resistance for applications in photovoltaics, photodetectors, flat panel displays, touch screen devices, and imagers. Indium tin oxide (ITO), or other transparent conductive oxides, have been used, and provide a baseline sheet resistance (RS) vs. transparency (T) relationship. Several alternative material systems have been investigated. The development of high-performance hybrid structures provides a route towards robust, scalable and low-cost approaches for realizing high-performance TCE.

Flat-plate solar array project. Volume 7: Module encapsulation

NASA Astrophysics Data System (ADS)

Cuddihy, E.; Coulbert, C.; Gupta, A.; Liang, R.

1986-10-01

The objective of the Encapsulation Task was to develop, demonstrate, and qualify photovoltaic (PV) module encapsulation systems that would provide 20 year (later decreased to 30 year) life expectancies in terrestrial environments, and which would be compatible with the cost and performance goals of the Flat-Plate Solar Array (FSA) Project. The scope of the Encapsulation Task included the identification, development, and evaluation of material systems and configurations required to support and protect the optically and electrically active solar cell circuit components in the PV module operating environment. Encapsulation material technologies summarized include the development of low cost ultraviolet protection techniques, stable low cost pottants, soiling resistant coatings, electrical isolation criteria, processes for optimum interface bonding, and analytical and experimental tools for evaluating the long term durability and structural adequacy of encapsulated modules. Field testing, accelerated stress testing, and design studies have demonstrated that encapsulation materials, processes, and configurations are available that meet the FSA cost and performance goals.

Flat-plate solar array project. Volume 7: Module encapsulation

NASA Technical Reports Server (NTRS)

Cuddihy, E.; Coulbert, C.; Gupta, A.; Liang, R.

1986-01-01

The objective of the Encapsulation Task was to develop, demonstrate, and qualify photovoltaic (PV) module encapsulation systems that would provide 20 year (later decreased to 30 year) life expectancies in terrestrial environments, and which would be compatible with the cost and performance goals of the Flat-Plate Solar Array (FSA) Project. The scope of the Encapsulation Task included the identification, development, and evaluation of material systems and configurations required to support and protect the optically and electrically active solar cell circuit components in the PV module operating environment. Encapsulation material technologies summarized include the development of low cost ultraviolet protection techniques, stable low cost pottants, soiling resistant coatings, electrical isolation criteria, processes for optimum interface bonding, and analytical and experimental tools for evaluating the long term durability and structural adequacy of encapsulated modules. Field testing, accelerated stress testing, and design studies have demonstrated that encapsulation materials, processes, and configurations are available that meet the FSA cost and performance goals.

Comparing systems for costing hospital treatments. The case of stable angina pectoris.

PubMed

Larsen, Jytte; Skjoldborg, Ulla Slothuus

2004-03-01

This paper demonstrates the basic properties in the systems most commonly considered for costing treatments in the Danish hospitals. The differences between the traditional charge system, the DRG system and the ABC system are analysed, and difficulties encountered in comparing these systems are discussed. A sample of patients diagnosed with stable angina pectoris (SAP) at Odense University Hospital was used to compare the three systems when costing an entire treatment path, costing single hospitalisations and studying the effects of length of stay. Furthermore, it is illustrated that the main idea behind each system is reflected in how the systems over- or underestimate costs. Implications when managing the hospitals, particularly reimbursement, are discussed.

The sound insulations of studio doors. Part 1: Door blanks

NASA Astrophysics Data System (ADS)

Plumb, G. D.; Clark, R.

The sound insulations of a range of different door blanks were measured. The results were compared with the sound insulations of existing BBC door blanks. The new doors were made from medium density fiberboard (MDF) which is more stable than the blockboard used in existing studio doors. Consequently, they should require less maintenance and adjustment and should have a longer lifespan. The doors had higher sound insulations for their weight than existing designs, which might permit savings in the costs of the surrounding building structures. Overall construction costs of the door blanks themselves are likely to be similar to those of existing designs. A companion Report (BBC RD 1994/15) describes sound insulation measurements made on plant-on door seals. The intention of this work was to simplify the construction of the door frame and the fitting of the seals to reduce costs.

Probabilistic sharing solves the problem of costly punishment

NASA Astrophysics Data System (ADS)

Chen, Xiaojie; Szolnoki, Attila; Perc, Matjaž

2014-08-01

Cooperators that refuse to participate in sanctioning defectors create the second-order free-rider problem. Such cooperators will not be punished because they contribute to the public good, but they also eschew the costs associated with punishing defectors. Altruistic punishers—those that cooperate and punish—are at a disadvantage, and it is puzzling how such behaviour has evolved. We show that sharing the responsibility to sanction defectors rather than relying on certain individuals to do so permanently can solve the problem of costly punishment. Inspired by the fact that humans have strong but also emotional tendencies for fair play, we consider probabilistic sanctioning as the simplest way of distributing the duty. In well-mixed populations the public goods game is transformed into a coordination game with full cooperation and defection as the two stable equilibria, while in structured populations pattern formation supports additional counterintuitive solutions that are reminiscent of Parrondo's paradox.

Do Health Care Delivery System Reforms Improve Value? The Jury Is Still Out.

PubMed

Korenstein, Deborah; Duan, Kevin; Diaz, Manuel J; Ahn, Rosa; Keyhani, Salomeh

2016-01-01

Widespread restructuring of health delivery systems is underway in the United States to reduce costs and improve the quality of health care. To describe studies evaluating the impact of system-level interventions (incentives and delivery structures) on the value of US health care, defined as the balance between quality and cost. We identified articles in PubMed (2003 to July 2014) using keywords identified through an iterative process, with reference and author tracking. We searched tables of contents of relevant journals from August 2014 through 11 August 2015 to update our sample. We included prospective or retrospective studies of system-level changes, with a control, reporting both quality and either cost or utilization of resources. Data about study design, study quality, and outcomes was extracted by one reviewer and checked by a second. Thirty reports of 28 interventions were included. Interventions included patient-centered medical home implementations (n=12), pay-for-performance programs (n=10), and mixed interventions (n=6); no other intervention types were identified. Most reports (n=19) described both cost and utilization outcomes. Quality, cost, and utilization outcomes varied widely; many improvements were small and process outcomes predominated. Improved value (improved quality with stable or lower cost/utilization or stable quality with lower cost/utilization) was seen in 23 reports; 1 showed decreased value, and 6 showed unchanged, unclear, or mixed results.Study limitations included variability among specific endpoints reported, inconsistent methodologies, and lack of full adjustment in some observational trials. Lack of standardized MeSH terms was also a challenge in the search. On balance, the literature suggests that health system reforms can improve value. However, this finding is tempered by the varying outcomes evaluated across studies with little documented improvement in outcome quality measures. Standardized measures of value would facilitate assessment of the impact of interventions across studies and better estimates of the broad impact of system change.

Fabrication of In(0.75)Zn(1.5)Sn(1.0) (IZTO) Thin-Film Transistors Using Solution-Processable Materials and PZT Inkjet-Printing.

PubMed

Lee, Tai-Kuang; Liuand, Chao-Te; Lee, Wen-Hsi

2017-01-01

Recently, Thin Film Transistors (TFTs) have been studied widely because of potential applications in low cost, low-temperature process and flexible displays. They can be fabricated by easy processes based on solution methods. But the mobility of organic TFTs is lower and the threshold voltage is higher than amorphous Si TFTs. In order to enhance the channel mobility and satisfy with the requirement of low-cost fabrication, we prepare a low-cost, mask-free, reduced material wastage, deposited technology using transparent, directly printable, air-stable semiconductor slurries and dielectric solutions. In our investigations, we attempt to obtain a high performance and low-cost TFT via preparing materials, designing device structure, and using PZT inkjet-printing technology. A stable and non-precipitated metal oxide ink with appropriate doping was prepared for the fabrication of an InxZn1.5Sn1.0 (IZTO) by PZT inkjet-printing. The soluble direct-printing process is a powerful tool for material research and implies that the printable materials and the printing technology enable the use of all-printed low-cost flexible displays and other transparent electronic applications. Transparent materials including dielectric PVP, conductive carbon nanotube (CNT) and active IZTO were employed into the fabrication of our PZT inkjet-printing process. After annealed at 180 °C, The experimental all-printed TFT exhibit the carrier mobility of 0.194 cm2/Vs, sub-threshold slope of 20 V/decade, and the threshold voltage of 5 V, initially. All-inkjet-printed films have great transparency, potentially in transparent electronics and the transmittance pattern in visible part of the spectrum (400–700 nm) is over 80%.

Computational Study of Ternary Devices: Stable, Low-Cost, and Efficient Planar Perovskite Solar Cells

NASA Astrophysics Data System (ADS)

Sajid, Sajid; Elseman, Ahmed Mourtada; Ji, Jun; Dou, Shangyi; Wei, Dong; Huang, Hao; Cui, Peng; Xi, Wenkang; Chu, Lihua; Li, Yingfeng; Jiang, Bing; Li, Meicheng

2018-07-01

Although perovskite solar cells with power conversion efficiencies (PCEs) more than 22% have been realized with expensive organic charge-transporting materials, their stability and high cost remain to be addressed. In this work, the perovskite configuration of MAPbX (MA = CH3NH3, X = I3, Br3, or I2Br) integrated with stable and low-cost Cu:NiO x hole-transporting material, ZnO electron-transporting material, and Al counter electrode was modeled as a planar PSC and studied theoretically. A solar cell simulation program (wxAMPS), which served as an update of the popular solar cell simulation tool (AMPS: Analysis of Microelectronic and Photonic Structures), was used. The study yielded a detailed understanding of the role of each component in the solar cell and its effect on the photovoltaic parameters as a whole. The bandgap of active materials and operating temperature of the modeled solar cell were shown to influence the solar cell performance in a significant way. Further, the simulation results reveal a strong dependence of photovoltaic parameters on the thickness and defect density of the light-absorbing layers. Under moderate simulation conditions, the MAPbBr3 and MAPbI2Br cells recorded the highest PCEs of 20.58 and 19.08%, respectively, while MAPbI3 cell gave a value of 16.14%. [Figure not available: see fulltext.

Green and low-cost production of thermally stable and carboxylated cellulose Nanocrystals and nanofibrils using highly recyclable dicarboxylic acids

Treesearch

Huiyang Bian; Liheng Chen; Ruibin Wang; Junyong Zhu

2016-01-01

Here we demonstrate potentially low cost and green productions of high thermally stable and carboxylated cellulose nanocrystals (CNCs) and nanofibrils (CNF) from bleached eucalyptus pulp (BEP) and unbleached mixed hardwood kraft pulp (UMHP) fibers using highly recyclable dicarboxylic solid acids. Typical operating conditions were acid concentrations of 50 - 70 wt% at...

Ab initio structure prediction of silicon and germanium sulfides for lithium-ion battery materials

NASA Astrophysics Data System (ADS)

Hsueh, Connie; Mayo, Martin; Morris, Andrew J.

Conventional experimental-based approaches to materials discovery, which can rely heavily on trial and error, are time-intensive and costly. We discuss approaches to coupling experimental and computational techniques in order to systematize, automate, and accelerate the process of materials discovery, which is of particular relevance to developing new battery materials. We use the ab initio random structure searching (AIRSS) method to conduct a systematic investigation of Si-S and Ge-S binary compounds in order to search for novel materials for lithium-ion battery (LIB) anodes. AIRSS is a high-throughput, density functional theory-based approach to structure prediction which has been successful at predicting the structures of LIBs containing sulfur and silicon and germanium. We propose a lithiation mechanism for Li-GeS2 anodes as well as report new, theoretically stable, layered and porous structures in the Si-S and Ge-S systems that pique experimental interest.

Analytic energy gradient of projected Hartree-Fock within projection after variation

NASA Astrophysics Data System (ADS)

Uejima, Motoyuki; Ten-no, Seiichiro

2017-03-01

We develop a geometrical optimization technique for the projection-after-variation (PAV) scheme of the recently refined projected Hartree-Fock (PHF) as a fast alternative to the variation-after-projection (VAP) approach for optimizing the structures of molecules/clusters in symmetry-adapted electronic states at the mean-field computational cost. PHF handles the nondynamic correlation effects by restoring the symmetry of a broken-symmetry single reference wavefunction and moreover enables a black-box treatment of orbital selections. Using HF orbitals instead of PHF orbitals, our approach saves the computational cost for the orbital optimization, avoiding the convergence problem that sometimes emerges in the VAP scheme. We show that PAV-PHF provides geometries comparable to those of the complete active space self-consistent field and VAP-PHF for the tested systems, namely, CH2, O3, and the [Cu2O2 ] 2 + core, where nondynamic correlation is abundant. The proposed approach is useful for large systems mainly dominated by nondynamic correlation to find stable structures in many symmetry-adapted states.

Scalable Low-Cost Fabrication of Disposable Paper Sensors for DNA Detection

PubMed Central

2015-01-01

Controlled integration of features that enhance the analytical performance of a sensor chip is a challenging task in the development of paper sensors. A critical issue in the fabrication of low-cost biosensor chips is the activation of the device surface in a reliable and controllable manner compatible with large-scale production. Here, we report stable, well-adherent, and repeatable site-selective deposition of bioreactive amine functionalities and biorepellant polyethylene glycol-like (PEG) functionalities on paper sensors by aerosol-assisted, atmospheric-pressure, plasma-enhanced chemical vapor deposition. This approach requires only 20 s of deposition time, compared to previous reports on cellulose functionalization, which takes hours. A detailed analysis of the near-edge X-ray absorption fine structure (NEXAFS) and its sensitivity to the local electronic structure of the carbon and nitrogen functionalities. σ*, π*, and Rydberg transitions in C and N K-edges are presented. Application of the plasma-processed paper sensors in DNA detection is also demonstrated. PMID:25423585

Metal-organic frameworks for thermoelectric energy-conversion applications

DOE PAGES

Talin, Albert Alec; Jones, Reese E.; Hopkins, Patrick E.

2016-11-07

Motivated by low cost, low toxicity, mechanical flexibility, and conformability over complex shapes, organic semiconductors are currently being actively investigated as thermoelectric (TE) materials to replace the costly, brittle, and non-eco-friendly inorganic TEs for near-ambient-temperature applications. Metal–organic frameworks (MOFs) share many of the attractive features of organic polymers, including solution processability and low thermal conductivity. A potential advantage of MOFs and MOFs with guest molecules (Guest@MOFs) is their synthetic and structural versatility, which allows both the electronic and geometric structure to be tuned through the choice of metal, ligand, and guest molecules. This could solve the long-standing challenge of findingmore » stable, high-TE-performance n-type organic semiconductors, as well as promote high charge mobility via the long-range crystalline order inherent in these materials. In this paper, we review recent advances in the synthesis of MOF and Guest@MOF TEs and discuss how the Seebeck coefficient, electrical conductivity, and thermal conductivity could be tuned to further optimize TE performance.« less

Scalable Low-Cost Fabrication of Disposable Paper Sensors for DNA Detection

DOE PAGES

Gandhiraman, Ram P.; Nordlund, Dennis; Jayan, Vivek; ...

2014-11-25

Controlled integration of features that enhance the analytical performance of a sensor chip is a challenging task in the development of paper sensors. A critical issue in the fabrication of low-cost biosensor chips is the activation of the device surface in a reliable and controllable manner compatible with large-scale production. Here, we report stable, well-adherent, and repeatable site-selective deposition of bioreactive amine functionalities and biorepellant polyethylene glycol-like (PEG) functionalities on paper sensors by aerosol-assisted, atmospheric-pressure, plasma-enhanced chemical vapor deposition. This approach requires only 20 s of deposition time, compared to previous reports on cellulose functionalization, which takes hours. We presentmore » a detailed analysis of the near-edge X-ray absorption fine structure (NEXAFS) and its sensitivity to the local electronic structure of the carbon and nitrogen functionalities. σ*, π*, and Rydberg transitions in C and N K-edges. Lastly, application of the plasma-processed paper sensors in DNA detection is also demonstrated.« less

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

Talin, Albert Alec; Jones, Reese E.; Hopkins, Patrick E.

Motivated by low cost, low toxicity, mechanical flexibility, and conformability over complex shapes, organic semiconductors are currently being actively investigated as thermoelectric (TE) materials to replace the costly, brittle, and non-eco-friendly inorganic TEs for near-ambient-temperature applications. Metal–organic frameworks (MOFs) share many of the attractive features of organic polymers, including solution processability and low thermal conductivity. A potential advantage of MOFs and MOFs with guest molecules (Guest@MOFs) is their synthetic and structural versatility, which allows both the electronic and geometric structure to be tuned through the choice of metal, ligand, and guest molecules. This could solve the long-standing challenge of findingmore » stable, high-TE-performance n-type organic semiconductors, as well as promote high charge mobility via the long-range crystalline order inherent in these materials. In this paper, we review recent advances in the synthesis of MOF and Guest@MOF TEs and discuss how the Seebeck coefficient, electrical conductivity, and thermal conductivity could be tuned to further optimize TE performance.« less

Development of advanced micromirror arrays by flip-chip assembly

NASA Astrophysics Data System (ADS)

Michalicek, M. Adrian; Bright, Victor M.

2001-10-01

This paper presents the design, commercial prefabrication, modeling and testing of advanced micromirror arrays fabricated using a novel, simple and inexpensive flip-chip assembly technique. Several polar piston arrays and rectangular cantilever arrays were fabricated using flip-chip assembly by which the upper layers of the array are fabricated on a separate chip and then transferred to a receiving module containing the lower layers. Typical polar piston arrays boast 98.3% active surface area, highly planarized surfaces, low address potentials compatible with CMOS electronics, highly standardized actuation between devices, and complex segmentation of mirror surfaces which allows for custom aberration configurations. Typical cantilever arrays boast large angles of rotation as well as an average surface planarity of only 1.779 nm of RMS roughness across 100 +m mirrors. Continuous torsion devices offer stable operation through as much as six degrees of rotation while binary operation devices offer stable activated positions with as much as 20 degrees of rotation. All arrays have desirable features of costly fabrication services like five structural layers and planarized mirror surfaces, but are prefabricated in the less costly MUMPs process. Models are developed for all devices and used to compare empirical data.

Design of active and stable Co-Mo-S x chalcogels as pH-universal catalyst for the hydrogen evolution reaction

DOE PAGES

Staszak-Jirkovský, Jakub; Malliakas, Christos D.; Lopes, Pietro P.; ...

2015-11-30

Three of the fundamental catalytic limitations that have plagued the electrochemical production of hydrogen for decades still remain: low efficiency, short lifetime of catalysts and a lack of low-cost materials. Here, we address these three challenges by establishing and exploring an intimate functional link between the reactivity and stability of crystalline (CoS 2 and MoS 2) and amorphous (CoS x and MoS x) hydrogen evolution catalysts. We propose that Co 2+ and Mo 4+ centers promote the initial discharge of water (alkaline solutions) or hydronium ions (acid solutions). We establish that although CoS x materials are more active than MoSmore » x they are also less stable, suggesting that the active sites are defects formed after dissolution of Co and Mo cations. Finally, by combining the higher activity of CoS x building blocks with the higher stability of MoS x units into a compact and robust CoMoS x structure, we are able to design a low-cost alternative to noble metal catalysts for efficient electrocatalytic production of hydrogen in both alkaline and acidic environments.« less

Distribution network design under demand uncertainty using genetic algorithm and Monte Carlo simulation approach: a case study in pharmaceutical industry

NASA Astrophysics Data System (ADS)

Izadi, Arman; Kimiagari, Ali mohammad

2014-01-01

Distribution network design as a strategic decision has long-term effect on tactical and operational supply chain management. In this research, the location-allocation problem is studied under demand uncertainty. The purposes of this study were to specify the optimal number and location of distribution centers and to determine the allocation of customer demands to distribution centers. The main feature of this research is solving the model with unknown demand function which is suitable with the real-world problems. To consider the uncertainty, a set of possible scenarios for customer demands is created based on the Monte Carlo simulation. The coefficient of variation of costs is mentioned as a measure of risk and the most stable structure for firm's distribution network is defined based on the concept of robust optimization. The best structure is identified using genetic algorithms and 14% reduction in total supply chain costs is the outcome. Moreover, it imposes the least cost variation created by fluctuation in customer demands (such as epidemic diseases outbreak in some areas of the country) to the logistical system. It is noteworthy that this research is done in one of the largest pharmaceutical distribution firms in Iran.

Distribution network design under demand uncertainty using genetic algorithm and Monte Carlo simulation approach: a case study in pharmaceutical industry

NASA Astrophysics Data System (ADS)

Izadi, Arman; Kimiagari, Ali Mohammad

2014-05-01

Distribution network design as a strategic decision has long-term effect on tactical and operational supply chain management. In this research, the location-allocation problem is studied under demand uncertainty. The purposes of this study were to specify the optimal number and location of distribution centers and to determine the allocation of customer demands to distribution centers. The main feature of this research is solving the model with unknown demand function which is suitable with the real-world problems. To consider the uncertainty, a set of possible scenarios for customer demands is created based on the Monte Carlo simulation. The coefficient of variation of costs is mentioned as a measure of risk and the most stable structure for firm's distribution network is defined based on the concept of robust optimization. The best structure is identified using genetic algorithms and 14 % reduction in total supply chain costs is the outcome. Moreover, it imposes the least cost variation created by fluctuation in customer demands (such as epidemic diseases outbreak in some areas of the country) to the logistical system. It is noteworthy that this research is done in one of the largest pharmaceutical distribution firms in Iran.

Towards stable silicon nanoarray hybrid solar cells.

PubMed

He, W W; Wu, K J; Wang, K; Shi, T F; Wu, L; Li, S X; Teng, D Y; Ye, C H

2014-01-16

Silicon nanoarray hybrid solar cells benefit from the ease of fabrication and the cost-effectiveness of the hybrid structure, and represent a new research focus towards the utilization of solar energy. However, hybrid solar cells composed of both inorganic and organic components suffer from the notorious stability issue, which has to be tackled before the hybrid solar cells could become a viable alternative for harvesting solar energy. Here we show that Si nanoarray/PEDOT:PSS hybrid solar cells with improved stability can be fabricated via eliminating the water inclusion in the initial formation of the heterojunction between Si nanoarray and PEDOT:PSS. The Si nanoarray hybrid solar cells are stable against rapid degradation in the atmosphere environment for several months without encapsulation. This finding paves the way towards the real-world applications of Si nanoarray hybrid solar cells.

Towards stable silicon nanoarray hybrid solar cells

PubMed Central

He, W. W.; Wu, K. J.; Wang, K.; Shi, T. F.; Wu, L.; Li, S. X.; Teng, D. Y.; Ye, C. H.

2014-01-01

Silicon nanoarray hybrid solar cells benefit from the ease of fabrication and the cost-effectiveness of the hybrid structure, and represent a new research focus towards the utilization of solar energy. However, hybrid solar cells composed of both inorganic and organic components suffer from the notorious stability issue, which has to be tackled before the hybrid solar cells could become a viable alternative for harvesting solar energy. Here we show that Si nanoarray/PEDOT:PSS hybrid solar cells with improved stability can be fabricated via eliminating the water inclusion in the initial formation of the heterojunction between Si nanoarray and PEDOT:PSS. The Si nanoarray hybrid solar cells are stable against rapid degradation in the atmosphere environment for several months without encapsulation. This finding paves the way towards the real-world applications of Si nanoarray hybrid solar cells. PMID:24430057

The facile fabrication of tunable plasmonic gold nanostructure arrays using microwave plasma

NASA Astrophysics Data System (ADS)

Hsu, Chuen-Yuan; Huang, Jing-Wen; Gwo, Shangjr; Lin, Kuan-Jiuh

2010-01-01

Fabrication of isolated noble metal nanoparticles embedded in transparent substrates is the fasting growing demand for innovative plasmonic technologies. Here we report a simple and effective methodology for the preparation of highly stable plasmonic nanoparticles embedded in a glass surface. Size-controllable (10-70 nm) Au nanoparticles were rapidly prepared when subjected to the home-microwave plasma. Accordingly, the optical extinction maximum of the localized surface plasmon resonance (LSPR) can be systematically tuned in the range 532-586 nm. We find that the plasmonic structures are exceedingly stable toward immersion in ethanol solvents and pass successfully the adhesive tape test, which makes our system highly promising for efficient transmission-LSPR nanosensors. Besides, the attractive features of substrate-bound plasmonic nanostructures include its low cost, versatility, robustness, reusability and a promising ability to make a multi-arrayed LSPR biochip.

Optical Settling Tube.

DTIC Science & Technology

1983-11-21

Geology of Astoria Submarine Canyon. Ph.D. Thesis, Oregon State University, Corvallis, Oreg., 259 pp. *% ’ Jerlov, N.G., 1976. Marine Optics. Elsevier...beam transmissometer that is low in cost , relatively stable, acd consumes very little power. In this paper wE present the design and calibra- tion of d...beam transmissometer that is constructed with P.V.C. to simplify the desiql d minimize costs , contains stable temperature compensated electronics, and

Three-dimensional structure of wind turbine wakes as measured by scanning lidar

NASA Astrophysics Data System (ADS)

Bodini, Nicola; Zardi, Dino; Lundquist, Julie K.

2017-08-01

The lower wind speeds and increased turbulence that are characteristic of turbine wakes have considerable consequences on large wind farms: turbines located downwind generate less power and experience increased turbulent loads. The structures of wakes and their downwind impacts are sensitive to wind speed and atmospheric variability. Wake characterization can provide important insights for turbine layout optimization in view of decreasing the cost of wind energy. The CWEX-13 field campaign, which took place between June and September 2013 in a wind farm in Iowa, was designed to explore the interaction of multiple wakes in a range of atmospheric stability conditions. Based on lidar wind measurements, we extend, present, and apply a quantitative algorithm to assess wake parameters such as the velocity deficits, the size of the wake boundaries, and the location of the wake centerlines. We focus on wakes from a row of four turbines at the leading edge of the wind farm to explore variations between wakes from the edge of the row (outer wakes) and those from turbines in the center of the row (inner wakes). Using multiple horizontal scans at different elevations, a three-dimensional structure of wakes from the row of turbines can be created. Wakes erode very quickly during unstable conditions and can in fact be detected primarily in stable conditions in the conditions measured here. During stable conditions, important differences emerge between the wakes of inner turbines and the wakes of outer turbines. Further, the strong wind veer associated with stable conditions results in a stretching of the wake structures, and this stretching manifests differently for inner and outer wakes. These insights can be incorporated into low-order wake models for wind farm layout optimization or for wind power forecasting.

Three-dimensional structure of wind turbine wakes as measured by scanning lidar

DOE PAGES

Bodini, Nicola; Zardi, Dino; Lundquist, Julie K.

2017-08-14

The lower wind speeds and increased turbulence that are characteristic of turbine wakes have considerable consequences on large wind farms: turbines located downwind generate less power and experience increased turbulent loads. The structures of wakes and their downwind impacts are sensitive to wind speed and atmospheric variability. Wake characterization can provide important insights for turbine layout optimization in view of decreasing the cost of wind energy. The CWEX-13 field campaign, which took place between June and September 2013 in a wind farm in Iowa, was designed to explore the interaction of multiple wakes in a range of atmospheric stability conditions.more » Based on lidar wind measurements, we extend, present, and apply a quantitative algorithm to assess wake parameters such as the velocity deficits, the size of the wake boundaries, and the location of the wake centerlines. We focus on wakes from a row of four turbines at the leading edge of the wind farm to explore variations between wakes from the edge of the row (outer wakes) and those from turbines in the center of the row (inner wakes). Using multiple horizontal scans at different elevations, a three-dimensional structure of wakes from the row of turbines can be created. Wakes erode very quickly during unstable conditions and can in fact be detected primarily in stable conditions in the conditions measured here. During stable conditions, important differences emerge between the wakes of inner turbines and the wakes of outer turbines. Further, the strong wind veer associated with stable conditions results in a stretching of the wake structures, and this stretching manifests differently for inner and outer wakes. As a result, these insights can be incorporated into low-order wake models for wind farm layout optimization or for wind power forecasting.« less

Three-dimensional structure of wind turbine wakes as measured by scanning lidar

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

Bodini, Nicola; Zardi, Dino; Lundquist, Julie K.

The lower wind speeds and increased turbulence that are characteristic of turbine wakes have considerable consequences on large wind farms: turbines located downwind generate less power and experience increased turbulent loads. The structures of wakes and their downwind impacts are sensitive to wind speed and atmospheric variability. Wake characterization can provide important insights for turbine layout optimization in view of decreasing the cost of wind energy. The CWEX-13 field campaign, which took place between June and September 2013 in a wind farm in Iowa, was designed to explore the interaction of multiple wakes in a range of atmospheric stability conditions.more » Based on lidar wind measurements, we extend, present, and apply a quantitative algorithm to assess wake parameters such as the velocity deficits, the size of the wake boundaries, and the location of the wake centerlines. We focus on wakes from a row of four turbines at the leading edge of the wind farm to explore variations between wakes from the edge of the row (outer wakes) and those from turbines in the center of the row (inner wakes). Using multiple horizontal scans at different elevations, a three-dimensional structure of wakes from the row of turbines can be created. Wakes erode very quickly during unstable conditions and can in fact be detected primarily in stable conditions in the conditions measured here. During stable conditions, important differences emerge between the wakes of inner turbines and the wakes of outer turbines. Further, the strong wind veer associated with stable conditions results in a stretching of the wake structures, and this stretching manifests differently for inner and outer wakes. As a result, these insights can be incorporated into low-order wake models for wind farm layout optimization or for wind power forecasting.« less

Performance evaluation of a non-woven lithium ion battery separator prepared through a paper-making process

NASA Astrophysics Data System (ADS)

Huang, Xiaosong

2014-06-01

Porous separator functions to electrically insulate the negative and positive electrodes yet communicate lithium ions between the two electrodes when infiltrated with a liquid electrolyte. The separator must fulfill numerous requirements (e.g. permeability, wettability, and thermal stability) in order to optimize the abuse tolerance and electrochemical performance of a battery. Non-woven mat separators have advantages such as high porosity and heat resistance. However, their applications in lithium ion batteries are very limited as their inadequate pore structures could cause accelerated battery performance degradation and even internal short. This work features the development of thermally stable non-woven composite separators using a low cost paper-making process. The composite separators offer significantly improved thermal dimensional stability and exhibit superior wettability by the liquid electrolyte compared to a conventional polypropylene separator. The open porous structures of the non-woven composite separators also resulted in high effective ionic conductivities. The electrochemical performance of the composite separators was tested in coin cells. Stable cycle performances and improved rate capabilities have been observed for the coin cells with these composite separators.

Long-term healthcare use and costs in patients with stable coronary artery disease: a population-based cohort using linked health records (CALIBER)

PubMed Central

Walker, Simon; Asaria, Miqdad; Manca, Andrea; Palmer, Stephen; Gale, Chris P.; Shah, Anoop Dinesh; Abrams, Keith R.; Crowther, Michael; Timmis, Adam; Hemingway, Harry; Sculpher, Mark

2016-01-01

Abstract Aims To examine long-term healthcare utilization and costs of patients with stable coronary artery disease (SCAD). Methods and results Linked cohort study of 94 966 patients with SCAD in England, 1 January 2001 to 31 March 2010, identified from primary care, secondary care, disease, and death registries. Resource use and costs, and cost predictors by time and 5-year cardiovascular disease (CVD) risk profile were estimated using generalized linear models. Coronary heart disease hospitalizations were 20.5% in the first year and 66% in the year following a non-fatal (myocardial infarction, ischaemic or haemorrhagic stroke) event. Mean healthcare costs were £3133 per patient in the first year and £10 377 in the year following a non-fatal event. First-year predictors of cost included sex (mean cost £549 lower in females), SCAD diagnosis (non-ST-elevation myocardial infarction cost £656 more than stable angina), and co-morbidities (heart failure cost £657 more per patient). Compared with lower risk patients (5-year CVD risk 3.5%), those of higher risk (5-year CVD risk 44.2%) had higher 5-year costs (£23 393 vs. £9335) and lower lifetime costs (£43 020 vs. £116 888). Conclusion Patients with SCAD incur substantial healthcare utilization and costs, which varies and may be predicted by 5-year CVD risk profile. Higher risk patients have higher initial but lower lifetime costs than lower risk patients as a result of shorter life expectancy. Improved cardiovascular survivorship among an ageing CVD population is likely to require stratified care in anticipation of the burgeoning demand. PMID:27042338

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.

PubMed

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.

Extremely Stable Sodium Metal Batteries Enabled by Localized High-Concentration Electrolytes

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

Zheng, Jianming; Chen, Shuru; Zhao, Wengao

Sodium (Na) metal is a promising anode for Na ion batteries. However, the high reactivity of Na metal with electrolytes and the low Na metal cycling efficiency have limited its practical application in rechargeable Na metal batteries. High concentration electrolytes (HCE, ≥4 M) consisting of sodium bis(fluorosulfonyl)imide (NaFSI) and ether solvent could ensure the stable cycling of Na metal with high coulombic efficiency, but suffer from high viscosity, poor wetting ability, and high salt cost. Here, we report that the salt concentration could be significantly reduced (≤ 1.5 M) by diluting with a hydrofluoroether (HFE) as ‘inert’ diluent, which maintainsmore » the solvation structures of HCE, thereby forming a localized high concentration electrolyte (LHCE). A LHCE (2.1 M NaFSI/DME-BTFE (solvent molar ratio 1:2)) has been demonstrated to enable the dendrite-free Na deposition with high coulombic efficiency of > 99%, fast-charging (20C) and stable cycling (90.8% retention after 40,000 cycles) of Na||Na3V2(PO4)3 batteries.« less

An isopropanol-assisted fabrication strategy of pinhole-free perovskite films in air for efficient and stable planar perovskite solar cells

NASA Astrophysics Data System (ADS)

Ren, Ziqiu; Zhu, Menghua; Li, Xin; Dong, Cunku

2017-09-01

As a promising photovoltaic device, perovskite solar cells have attracted numerous attention in recent years, where forming a compact and pinhole-free perovskite film in air is of great importance. Herein, we evaluate highly efficient and air stable planar perovskite solar cells in air (relative humidity over 50%) with the modified two-step sequential deposition method by adjusting the CH3NH3I (MAI) concentrations and regulating the crystallization process of the perovskite film. The optimum MAI concentration is 60 mg mL-1 in isopropanol. With a planar structure of FTO/TiO2/MAPbI3/spiro-OMeTAD/Au, the efficient devices composed of compact and pinhole-free perovskite films are constructed in air, achieving a high efficiency of up to 15.10% and maintaining over 80% after 20 days storing without any encapsulation in air. With a facile fabrication process and high photovoltaic performance, this work represents a promising method for fabricating low-cost, highly efficient and stable photovoltaic device.

Self-Reconstructed Formation of a One-Dimensional Hierarchical Porous Nanostructure Assembled by Ultrathin TiO2 Nanobelts for Fast and Stable Lithium Storage.

PubMed

Liu, Yuan; Yan, Xiaodong; Xu, Bingqing; Lan, Jinle; Yu, Yunhua; Yang, Xiaoping; Lin, Yuanhua; Nan, Cewen

2018-06-06

Owing to their unique structural advantages, TiO 2 hierarchical nanostructures assembled by low-dimensional (LD) building blocks have been extensively used in the energy-storage/-conversion field. However, it is still a big challenge to produce such advanced structures by current synthetic techniques because of the harsh conditions needed to generate primary LD subunits. Herein, a novel one-dimensional (1D) TiO 2 hierarchical porous fibrous nanostructure constructed by TiO 2 nanobelts is synthesized by combining a room-temperature aqueous solution growth mechanism with the electrospinning technology. The nanobelt-constructed 1D hierarchical nanoarchitecture is evolves directly from the amorphous TiO 2 /SiO 2 composite fibers in alkaline solutions at ambient conditions without any catalyst and other reactant. Benefiting from the unique structural features such as 1D nanoscale building blocks, large surface area, and numerous interconnected pores, as well as mixed phase anatase-TiO 2 (B), the optimum 1D TiO 2 hierarchical porous nanostructure shows a remarkable high-rate performance when tested as an anode material for lithium-ion batteries (107 mA h g -1 at ∼10 A g -1 ) and can be used in a hybrid lithium-ion supercapacitor with very stable lithium-storage performance (a capacity retention of ∼80% after 3000 cycles at 2 A g -1 ). The current work presents a scalable and cost-effective method for the synthesis of advanced TiO 2 hierarchical materials for high-power and stable energy-storage/-conversion devices.

Perovskite- and Heusler based materials for thermoelectric converters

NASA Astrophysics Data System (ADS)

Weidenkaff, Anke

2015-03-01

The broad application of thermoelectric converters in future energy technologies requires the development of active, stable, low cost and sustainable materials. Semiconductors based on perovskite and heusler structures show substantial potential for thermoelectric energy conversion processes. Their good performance can be explained based on their suitable band structure, adjusted charge carrier density, mass and mobility, limited phonon transport, electron filtering possibilities, strongly correlated electronic systems, etc. These properties are widely tuneable by following theoretical concepts and a deep composition-structure-property understanding to change the composition, structure and size of the crystallites in innovative scalable synthesis procedures. Improved thermoelectric materials are developed, synthesised and tested in diverse high temperature applications to improve the efficiency and energy density of the thermoelectric conversion process. The lecture will provide a summary on the field of advanced perovskite-type ceramics and Heusler compounds gaining importance for a large number of future energy technologies.

High-Temperature Storage Testing of ACF Attached Sensor Structures

PubMed Central

Lahokallio, Sanna; Hoikkanen, Maija; Vuorinen, Jyrki; Frisk, Laura

2015-01-01

Several electronic applications must withstand elevated temperatures during their lifetime. Materials and packages for use in high temperatures have been designed, but they are often very expensive, have limited compatibility with materials, structures, and processing techniques, and are less readily available than traditional materials. Thus, there is an increasing interest in using low-cost polymer materials in high temperature applications. This paper studies the performance and reliability of sensor structures attached with anisotropically conductive adhesive film (ACF) on two different organic printed circuit board (PCB) materials: FR-4 and Rogers. The test samples were aged at 200 °C and 240 °C and monitored electrically during the test. Material characterization techniques were also used to analyze the behavior of the materials. Rogers PCB was observed to be more stable at high temperatures in spite of degradation observed, especially during the first 120 h of aging. The electrical reliability was very good with Rogers. At 200 °C, the failures occurred after 2000 h of testing, and even at 240 °C the interconnections were functional for 400 h. The study indicates that, even though these ACFs were not designed for use in high temperatures, with stable PCB material they are promising interconnection materials at elevated temperatures, especially at 200 °C. However, the fragility of the structure due to material degradation may cause reliability problems in long-term high temperature exposure. PMID:28793735

Low-cost electrodes for stable perovskite solar cells

NASA Astrophysics Data System (ADS)

Bastos, João P.; Manghooli, Sara; Jaysankar, Manoj; Tait, Jeffrey G.; Qiu, Weiming; Gehlhaar, Robert; De Volder, Michael; Uytterhoeven, Griet; Poortmans, Jef; Paetzold, Ulrich W.

2017-06-01

Cost-effective production of perovskite solar cells on an industrial scale requires the utilization of exclusively inexpensive materials. However, to date, highly efficient and stable perovskite solar cells rely on expensive gold electrodes since other metal electrodes are known to cause degradation of the devices. Finding a low-cost electrode that can replace gold and ensure both efficiency and long-term stability is essential for the success of the perovskite-based solar cell technology. In this work, we systematically compare three types of electrode materials: multi-walled carbon nanotubes (MWCNTs), alternative metals (silver, aluminum, and copper), and transparent oxides [indium tin oxide (ITO)] in terms of efficiency, stability, and cost. We show that multi-walled carbon nanotubes are the only electrode that is both more cost-effective and stable than gold. Devices with multi-walled carbon nanotube electrodes present remarkable shelf-life stability, with no decrease in the efficiency even after 180 h of storage in 77% relative humidity (RH). Furthermore, we demonstrate the potential of devices with multi-walled carbon nanotube electrodes to achieve high efficiencies. These developments are an important step forward to mass produce perovskite photovoltaics in a commercially viable way.

A 3D paper-based enzymatic fuel cell for self-powered, low-cost glucose monitoring.

PubMed

Fischer, Christopher; Fraiwan, Arwa; Choi, Seokheun

2016-05-15

In this work, we demonstrate a novel low-cost, self-powered paper-based biosensor for glucose monitoring. The device operating mechanism is based on a glucose/oxygen enzymatic fuel cell using an electrochemical energy conversion as a transducing element for glucose monitoring. The self-powered glucose biosensor features (i) a 3D origami paper-based structure for easy system integration onto paper, (ii) an air-cathode on paper for low-cost production and easy operation, and (iii) a screen printed chitosan/glucose oxidase anode for stable current generation as an analytical signal for glucose monitoring. The sensor showed a linear range of output current at 1-5mM glucose (R(2)=0.996) with a sensitivity of 0.02 µA mM(-1). The advantages offered by such a device, including a low cost, lack of external power sources/sophisticated external transducers, and the capacity to rapidly generate reliable results, are well suited for the clinical and social settings of the developing world. Copyright © 2015 Elsevier B.V. All rights reserved.

Photoexcited Carrier Dynamics of Cu 2S Thin Films

DOE PAGES

Riha, Shannon C.; Schaller, Richard D.; Gosztola, David J.; ...

2014-11-11

Copper sulfide is a simple binary material with promising attributes for low-cost thin film photovoltaics. However, stable Cu 2S-based device efficiencies approaching 10% free from cadmium have yet to be realized. In this paper, transient absorption spectroscopy is used to investigate the dynamics of the photoexcited state of isolated Cu 2S thin films prepared by atomic layer deposition or vapor-based cation exchange of ZnS. While a number of variables including film thickness, carrier concentration, surface oxidation, and grain boundary passivation were examined, grain structure alone was found to correlate with longer lifetimes. A map of excited state dynamics is deducedmore » from the spectral evolution from 300 fs to 300 μs. Finally, revealing the effects of grain morphology on the photophysical properties of Cu 2S is a crucial step toward reaching high efficiencies in operationally stable Cu 2S thin film photovoltaics.« less

Treatment for Stable Coronary Artery Disease: A Network Meta-Analysis of Cost-Effectiveness Studies

PubMed Central

Caruba, Thibaut; Katsahian, Sandrine; Schramm, Catherine; Charles Nelson, Anaïs; Durieux, Pierre; Bégué, Dominique; Juillière, Yves; Dubourg, Olivier

2014-01-01

Introduction and Objectives Numerous studies have assessed cost-effectiveness of different treatment modalities for stable angina. Direct comparisons, however, are uncommon. We therefore set out to compare the efficacy and mean cost per patient after 1 and 3 years of follow-up, of the following treatments as assessed in randomized controlled trials (RCT): medical therapy (MT), percutaneous coronary intervention (PCI) without stent (PTCA), with bare-metal stent (BMS), with drug-eluting stent (DES), and elective coronary artery bypass graft (CABG). Methods RCT comparing at least two of the five treatments and reporting clinical and cost data were identified by a systematic search. Clinical end-points were mortality and myocardial infarction (MI). The costs described in the different trials were standardized and expressed in US $ 2008, based on purchasing power parity. A network meta-analysis was used to compare costs. Results Fifteen RCT were selected. Mortality and MI rates were similar in the five treatment groups both for 1-year and 3-year follow-up. Weighted cost per patient however differed markedly for the five treatment modalities, at both one year and three years (P<0.0001). MT was the least expensive treatment modality: US $3069 and 13 864 after one and three years of follow-up, while CABG was the most costly: US $27 003 and 28 670 after one and three years. PCI, whether with plain balloon, BMS or DES came in between, but was closer to the costs of CABG. Conclusions Appreciable savings in health expenditures can be achieved by using MT in the management of patients with stable angina. PMID:24896266

Clathrates and beyond: Low-density allotropy in crystalline silicon

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

Beekman, Matt; Wei, Kaya; Nolas, George S., E-mail: gnolas@usf.edu

2016-12-15

In its common, thermodynamically stable state, silicon adopts the same crystal structure as diamond. Although only a few alternative allotropic structures have been discovered and studied over the past six decades, advanced methods for structure prediction have recently suggested a remarkably rich low-density phase space that has only begun to be explored. The electronic properties of these low-density allotropes of silicon, predicted by first-principles calculations, indicate that these materials could offer a pathway to improving performance and reducing cost in a variety of electronic and energy-related applications. In this focus review, we provide an introduction and overview of recent theoreticalmore » and experimental results related to low-density allotropes of silicon, highlighting the significant potential these materials may have for technological applications, provided substantial challenges to their experimental preparation can be overcome.« less

Sapphire Fabry-Perot high-temperature sensor study

NASA Astrophysics Data System (ADS)

Yao, Yi-qiang; Liang, Wei-long; Gui, Xinwang; Fan, Dian

2017-04-01

A new structure sapphire fiber Fabry-Perot (F-P) high-temperature sensor based on sapphire wafer was proposed and fabricated. The sensor uses the sapphire fiber as a transmission waveguide, the sapphire wafer as an Fabry-Perot (F-P) interferometer and the new structure of "Zirconia ferrule-Zirconia tube" as the sensor fixing structure of the sensor. The reflection spectrum of the interferometer was demodulated by a serial of data processing including FIR bandpass filter, FFT (Fast Fourier Transformation) estimation and LSE (least squares estimation) compensation to obtain more precise OPD. Temperature measurement range is from 20 to 1000°C in experiment. The experimental results show that the sensor has the advantages of small size, low cost, simple fabrication and high repeatability. It can be applied for longterm, stable and high-precision high temperature measurement in harsh environments.

Beyond co-pays and out-of-pocket costs: perceptions of health-related financial burden in managing asthma among African American women.

PubMed

Patel, Minal R; Nelson, Belinda W; Id-Deen, Effat; Caldwell, Cleopatra H

2014-12-01

The purpose of this study was to define perceptions of health-related financial burden based on the views of individuals who report these perceptions through qualitative approaches. Four focus groups were conducted in Southeast Michigan with 26 African American women with asthma, recruited based on maximum variation sampling procedures. A semi-structured interview was employed by facilitators. Coded transcripts were analyzed for themes regarding dimensions of the meaning of financial burden. Major domains of financial burden identified included (1) high out-of-pocket expenses; (2) lost wages from exacerbations, inability to maintain a stable job and stress from making decisions about taking a sick day or coming to work; (3) transport costs; (4) both costs and stress of managing insurance eligibility and correcting erroneous bills. Greater awareness of factors that add to perceptions of financial burden might better equip researchers to develop interventions to help care teams manage such concerns with their patients.

Beyond co-pays and out-of-pocket costs: perceptions of health-related financial burden in managing asthma among African American women

PubMed Central

Patel, Minal R.; Nelson, Belinda W.; Id-Deen, Effat; Caldwell, Cleopatra H.

2018-01-01

Objective The purpose of this study was to define perceptions of health-related financial burden based on the views of individuals who report these perceptions through qualitative approaches. Methods Four focus groups were conducted in Southeast Michigan with 26 African American women with asthma, recruited based on maximum variation sampling procedures. A semi-structured interview was employed by facilitators. Coded transcripts were analyzed for themes regarding dimensions of the meaning of financial burden. Results Major domains of financial burden identified included (1) high out-of-pocket expenses; (2) lost wages from exacerbations, inability to maintain a stable job and stress from making decisions about taking a sick day or coming to work; (3) transport costs; (4) both costs and stress of managing insurance eligibility and correcting erroneous bills. Conclusion Greater awareness of factors that add to perceptions of financial burden might better equip researchers to develop interventions to help care teams manage such concerns with their patients. PMID:24945886

The cost-effectiveness of cardiac computed tomography for patients with stable chest pain.

PubMed

Agus, A M; McKavanagh, P; Lusk, L; Verghis, R M; Walls, G M; Ball, P A; Trinick, T R; Harbinson, M T; Donnelly, P M

2016-03-01

To assess the cost-effectiveness of cardiac CT compared with exercise stress testing (EST) in improving the health-related quality of life of patients with stable chest pain. A cost-utility analysis alongside a single-centre randomised controlled trial carried out in Northern Ireland. Patients with stable chest pain were randomised to undergo either cardiac CT assessment or EST (standard care). The main outcome measure was cost per quality adjusted life year (QALY) gained at 1 year. Of the 500 patients recruited, 250 were randomised to cardiac CT and 250 were randomised to EST. Cardiac CT was the dominant strategy as it was both less costly (incremental total costs -£50.45; 95% CI -£672.26 to £571.36) and more effective (incremental QALYs 0.02; 95% CI -0.02 to 0.05) than EST. At a willingness-to-pay threshold of £20 000 per QALY the probability of cardiac CT being cost-effective was 83%. Subgroup analyses indicated that cardiac CT appears to be most cost-effective in patients with a likelihood of coronary artery disease (CAD) of <30%, followed by 30%-60% and then >60%. Cardiac CT is cost-effective compared with EST and cost-effectiveness was observed to vary with likelihood of CAD. This finding could have major implications for how patients with chest pain in the UK are assessed, however it would need to be validated in other healthcare systems. (ISRCTN52480460); results. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Medical therapy v. PCI in stable coronary artery disease: a cost-effectiveness analysis.

PubMed

Wijeysundera, Harindra C; Tomlinson, George; Ko, Dennis T; Dzavik, Vladimir; Krahn, Murray D

2013-10-01

Percutaneous coronary intervention (PCI) with either drug-eluting stents (DES) or bare metal stents (BMS) reduces angina and repeat procedures compared with optimal medical therapy alone. It remains unclear if these benefits are sufficient to offset their increased costs and small increase in adverse events. Cost utility analysis of initial medical therapy v. PCI with either BMS or DES. . Markov cohort decision model. Data Sources. Propensity-matched observational data from Ontario, Canada, for baseline event rates. Effectiveness and utility data obtained from the published literature, with costs from the Ontario Case Costing Initiative. Patients with stable coronary artery disease, confirmed after angiography, stratified by risk of restenosis based on diabetic status, lesion size, and lesion length. Time Horizon. Lifetime. Perspective. Ontario Ministry of Health and Long Term Care. Interventions. Optimal medical therapy, PCI with BMS or DES. Lifetime costs, quality-adjusted life years (QALYs), and the incremental cost-effectiveness ratio (ICER). of Base Case Analysis. In the overall population, medical therapy had the lowest lifetime costs at $22,952 v. $25,081 and $25,536 for BMS and DES, respectively. Medical therapy had a quality-adjusted life expectancy of 10.1 v. 10.26 QALYs for BMS, producing an ICER of $13,271/QALY. The DES strategy had a quality-adjusted life expectancy of only 10.20 QALYs and was dominated by the BMS strategy. This ranking was consistent in all groups stratified by restenosis risk, except diabetic patients with long lesions in small arteries, in whom DES was cost-effective compared with medical therapy (ICER of $18,826/QALY). Limitations. There is the possibility of residual unobserved confounding. In patients with stable coronary artery disease, an initial BMS strategy is cost-effective.

When do drilling alliances add value? The alliance value model

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

Brett, J.F.; Craig, V.B.; Wadsworth, D.B.

1996-12-31

A recent GRI report details three previously unstudied aspects of alliances: specific measurable factors that improve alliance success, how a successful alliance should be structured, and when an alliance makes economic sense. The most innovative tool to emerge from the report, the Alliance Value Model, addresses the third aspect. The theory behind the Alliance Value Model is that the long-term viability of any drilling relationship hinges on its ability to create real value and achieve stability. Based upon the report`s findings, the most effective way to form such an alliance is through a detailed description and integration of the technicalmore » processes involved. This new type of process-driven alliance is characterized by a value chain which links together a common set of technical processes, mutually defined bottomline goals, and shared benefits. Building a process-driven alliance requires time and people and therefore has an associated cost. The real value generated by an alliance must exceed this start-up cost. The Alliance Value Model computes the net present value (NPV) of the cash flows for four different operating arrangements: (1) Business As Usual (conventional competitive bidding process), (2) Process-Driven Alliance (linking technical processes to accelerate production and reduce expenses), (3) Incentivized Process-Driven Alliance (linked technical processes with performance incentives to promote stability), and (4) No Drill Case (primarily used to gauge the market value of services). These arrangements test different degrees of process integration between an operator and its suppliers. They can also help determine if the alliance can add enough value to exceed startup costs and if the relationship will be stable. Each partner can test the impact of the relational structure on its own profitability. When an alliance is warranted, all participants can benefit from real value generated in a stable relationship.« less

Cost-effectiveness of long-term outpatient buprenorphine-naloxone treatment for opioid dependence in primary care.

PubMed

Schackman, Bruce R; Leff, Jared A; Polsky, Daniel; Moore, Brent A; Fiellin, David A

2012-06-01

Primary care physicians with appropriate training may prescribe buprenorphine-naloxone (bup/nx) to treat opioid dependence in US office-based settings, where many patients prefer to be treated. Bup/nx is off patent but not available as a generic. We evaluated the cost-effectiveness of long-term office-based bup/nx treatment for clinically stable opioid-dependent patients compared to no treatment. A decision analytic model simulated a hypothetical cohort of clinically stable opioid-dependent individuals who have already completed 6 months of office-based bup/nx treatment. Data were from a published cohort study that collected treatment retention, opioid use, and costs for this population, and published quality-of-life weights. Uncertainties in estimated monthly costs and quality-of-life weights were evaluated in probabilistic sensitivity analyses, and the economic value of additional research to reduce these uncertainties was also evaluated. Bup/nx, provider, and patient costs in 2010 US dollars, quality-adjusted life years (QALYs), and incremental cost-effectiveness (CE) ratios ($/QALY); costs and QALYs are discounted at 3% annually. In the base case, office-based bup/nx for clinically stable patients has a CE ratio of $35,100/QALY compared to no treatment after 24 months, with 64% probability of being < $100,000/QALY in probabilistic sensitivity analysis. With a 50% bup/nx price reduction the CE ratio is $23,000/QALY with 69% probability of being < $100,000/QALY. Alternative quality-of-life weights result in CE ratios of $138,000/QALY and $90,600/QALY. The value of research to reduce quality-of-life uncertainties for 24-month results is $6,400 per person eligible for treatment at the current bup/nx price and $5,100 per person with a 50% bup/nx price reduction. Office-based bup/nx for clinically stable patients may be a cost-effective alternative to no treatment at a threshold of $100,000/QALY depending on assumptions about quality-of-life weights. Additional research about quality-of-life benefits and broader health system and societal cost savings of bup/nx therapy is needed.

Dynamics and control of twisting bi-stable structures

NASA Astrophysics Data System (ADS)

Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

2018-02-01

Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states of the bi-stable twisting I-beam structures. The obtained optimal piezoelectric actuator positioning is not necessarily intuitive and when used with the proposed dynamic actuation strategy serve as a blueprint for the actuation of such multi-stable compliant structures to produce fast and large deflections with highly embeddable actuators. This class of structures has potential applications in aerospace systems and soft/compliant robotics.

Printed wide-slot antenna design with bandwidth and gain enhancement on low-cost substrate.

PubMed

Samsuzzaman, M; Islam, M T; Mandeep, J S; Misran, N

2014-01-01

This paper presents a printed wide-slot antenna design and prototyping on available low-cost polymer resin composite material fed by a microstrip line with a rotated square slot for bandwidth enhancement and defected ground structure for gain enhancement. An I-shaped microstrip line is used to excite the square slot. The rotated square slot is embedded in the middle of the ground plane, and its diagonal points are implanted in the middle of the strip line and ground plane. To increase the gain, four L-shaped slots are etched in the ground plane. The measured results show that the proposed structure retains a wide impedance bandwidth of 88.07%, which is 20% better than the reference antenna. The average gain is also increased, which is about 4.17 dBi with a stable radiation pattern in the entire operating band. Moreover, radiation efficiency, input impedance, current distribution, axial ratio, and parametric studies of S11 for different design parameters are also investigated using the finite element method-based simulation software HFSS.

Printed Wide-Slot Antenna Design with Bandwidth and Gain Enhancement on Low-Cost Substrate

PubMed Central

Samsuzzaman, M.; Islam, M. T.; Mandeep, J. S.; Misran, N.

2014-01-01

This paper presents a printed wide-slot antenna design and prototyping on available low-cost polymer resin composite material fed by a microstrip line with a rotated square slot for bandwidth enhancement and defected ground structure for gain enhancement. An I-shaped microstrip line is used to excite the square slot. The rotated square slot is embedded in the middle of the ground plane, and its diagonal points are implanted in the middle of the strip line and ground plane. To increase the gain, four L-shaped slots are etched in the ground plane. The measured results show that the proposed structure retains a wide impedance bandwidth of 88.07%, which is 20% better than the reference antenna. The average gain is also increased, which is about 4.17 dBi with a stable radiation pattern in the entire operating band. Moreover, radiation efficiency, input impedance, current distribution, axial ratio, and parametric studies of S11 for different design parameters are also investigated using the finite element method-based simulation software HFSS. PMID:24696661

Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study

NASA Astrophysics Data System (ADS)

Choi, Won-Mi; Jo, Yong Hee; Sohn, Seok Su; Lee, Sunghak; Lee, Byeong-Joo

2018-01-01

Although high-entropy alloys (HEAs) are attracting interest, the physical metallurgical mechanisms related to their properties have mostly not been clarified, and this limits wider industrial applications, in addition to the high alloy costs. We clarify the physical metallurgical reasons for the materials phenomena (sluggish diffusion and micro-twining at cryogenic temperatures) and investigate the effect of individual elements on solid solution hardening for the equiatomic CoCrFeMnNi HEA based on atomistic simulations (Monte Carlo, molecular dynamics and molecular statics). A significant number of stable vacant lattice sites with high migration energy barriers exists and is thought to cause the sluggish diffusion. We predict that the hexagonal close-packed (hcp) structure is more stable than the face-centered cubic (fcc) structure at 0 K, which we propose as the fundamental reason for the micro-twinning at cryogenic temperatures. The alloying effect on the critical resolved shear stress (CRSS) is well predicted by the atomistic simulation, used for a design of non-equiatomic fcc HEAs with improved strength, and is experimentally verified. This study demonstrates the applicability of the proposed atomistic approach combined with a thermodynamic calculation technique to a computational design of advanced HEAs.

Controllable fabrication of large-scale hierarchical silver nanostructures for long-term stable and ultrasensitive SERS substrates

NASA Astrophysics Data System (ADS)

Wu, Jing; Fang, Jinghuai; Cheng, Mingfei; Gong, Xiao

2016-09-01

In this work, we aim to prepare effective and long-term stable hierarchical silver nanostructures serving as surface-enhanced Raman scattering (SERS) substrates simply via displacement reaction on Aluminum foils. In our experiments, Hexadecyltrimethylammonium bromide (CTAB) is used as cationic surfactant to control the velocity of displacement reaction as well as the hierarchical morphology of the resultant. We find that the volume ratio of CTAB to AgNO3 plays a dominant role in regulating the hierarchical structures besides the influence of displacement reaction time. These as-prepared hierarchical morphologies demonstrate excellent SERS sensitivity, structural stability and reproducibility with low values of relative standard deviation less than 20 %. The high SERS analytical enhancement factor of ~6.7 × 108 is achieved even at the concentration of Crystal Violet (CV) as low as 10-7 M, which is sufficient for single-molecule detection. The detection limit of CV is 10-9 M in this study. We believe that this simple and rapid approach integrating advantages of low-cost production and high reproducibility would be a promising way to facilitate routine SERS detection and will get wide applications in chemical synthesis.

Ultra-stable, low phase noise dielectric resonator stabilized oscillators for military and commercial systems

NASA Technical Reports Server (NTRS)

Mizan, Muhammad; Higgins, Thomas; Sturzebecher, Dana

1993-01-01

EPSD has designed, fabricated and tested, ultra-stable, low phase noise microwave dielectric resonator oscillators (DRO's) at S, X, Ku, and K-bands, for potential application to high dynamic range and low radar cross section target detection radar systems. The phase noise and the temperature stability surpass commercially available DROs. Low phase noise signals are critical for CW Doppler radars, at both very close-in and large offset frequencies from the carrier. The oscillators were built without any temperature compensation techniques and exhibited a temperature stability of 25 parts per million (ppm) over an extended temperature range. The oscillators are lightweight, small and low cost compared to BAW & SAW oscillators, and can impact commercial systems such as telecommunications, built-in-test equipment, cellular phone and satellite communications systems. The key to obtaining this performance was a high Q factor resonant structure (RS) and careful circuit design techniques. The high Q RS consists of a dielectric resonator (DR) supported by a low loss spacer inside a metal cavity. The S and the X-band resonant structures demonstrated loaded Q values of 20,300 and 12,700, respectively.

Predicting the potentials, solubilities and stabilities of metal-acetylacetonates for non-aqueous redox flow batteries using density functional theory calculations

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

Kucharyson, J. F.; Cheng, L.; Tung, S. O.

New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training setmore » consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble and stable complexes for RFB applications.« less

An Unconditionally Stable, Positivity-Preserving Splitting Scheme for Nonlinear Black-Scholes Equation with Transaction Costs

PubMed Central

Guo, Jianqiang; Wang, Wansheng

2014-01-01

This paper deals with the numerical analysis of nonlinear Black-Scholes equation with transaction costs. An unconditionally stable and monotone splitting method, ensuring positive numerical solution and avoiding unstable oscillations, is proposed. This numerical method is based on the LOD-Backward Euler method which allows us to solve the discrete equation explicitly. The numerical results for vanilla call option and for European butterfly spread are provided. It turns out that the proposed scheme is efficient and reliable. PMID:24895653

An unconditionally stable, positivity-preserving splitting scheme for nonlinear Black-Scholes equation with transaction costs.

PubMed

Guo, Jianqiang; Wang, Wansheng

2014-01-01

This paper deals with the numerical analysis of nonlinear Black-Scholes equation with transaction costs. An unconditionally stable and monotone splitting method, ensuring positive numerical solution and avoiding unstable oscillations, is proposed. This numerical method is based on the LOD-Backward Euler method which allows us to solve the discrete equation explicitly. The numerical results for vanilla call option and for European butterfly spread are provided. It turns out that the proposed scheme is efficient and reliable.

Fabrication of eco-friendly PNP transistor using RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kumar, B. Santhosh; Harinee, N.; Purvaja, K.; Shanker, N. Praveen; Manikandan, M.; Aparnadevi, N.; Mukilraj, T.; Venkateswaran, C.

2018-05-01

An effort has been made to fabricate a thin film transistor using eco-friendly oxide semiconductor materials. Oxide semiconductor materials are cost - effective, thermally and chemically stable with high electron/hole mobility. Copper (II) oxide is a p-type semiconductor and zinc oxide is an n-type semiconductor. A pnp thin film transistor was fabricated using RF magnetron sputtering. The films deposited have been subjected to structural characterization using AFM. I-V characterization of the fabricated device, Ag/CuO/ZnO/CuO/Ag, confirms transistor behaviour. The mechanism of electron/hole transport of the device is discussed below.

Activated carbon derived from harmful aquatic plant for high stable supercapacitors

NASA Astrophysics Data System (ADS)

Li, Jiangfeng; Wu, Qingsheng

2018-01-01

Considering cost and environmental protection, the harmful aquatic plant altemanthera philoxeroides derived carbon material with super high specific surface area (2895 m2 g-1) is an ideal electrode material for supercapacitor. The structure and composition of these carbon materials were characterized by SEM, EDS, XPS and BET measurements. The obtained material exhibits a maximum specific capacitance of 275 F g-1 at 0.5 A g-1 and retains a capacitance of 210 F g-1 even at 50 A g-1. In addition, it also shows excellent capacity retention of 5000 cycles at 10 A g-1.

Oxidized Ni/Au Transparent Electrode in Efficient CH3 NH3 PbI3 Perovskite/Fullerene Planar Heterojunction Hybrid Solar Cells.

PubMed

Lai, Wei-Chih; Lin, Kun-Wei; Wang, Yuan-Ting; Chiang, Tsung-Yu; Chen, Peter; Guo, Tzung-Fang

2016-05-01

The successful application of a Ni/Au transparent electrode for fabricating efficient perovskite-based solar cells is demonstrated. Through interdiffusion of the Ni/Au bilayer, Au forms an interconnected metallic network structure as the transparent electrode. Ni diffuses to the bilayer surface and oxidizes into NiOx becoming an appropriate electrode interlayer. These ITO- and PSS-free devices have potential applications in the design of future cost-effective, low-weight, and stable solar cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast time- and frequency-domain finite-element methods for electromagnetic analysis

NASA Astrophysics Data System (ADS)

Lee, Woochan

Fast electromagnetic analysis in time and frequency domain is of critical importance to the design of integrated circuits (IC) and other advanced engineering products and systems. Many IC structures constitute a very large scale problem in modeling and simulation, the size of which also continuously grows with the advancement of the processing technology. This results in numerical problems beyond the reach of existing most powerful computational resources. Different from many other engineering problems, the structure of most ICs is special in the sense that its geometry is of Manhattan type and its dielectrics are layered. Hence, it is important to develop structure-aware algorithms that take advantage of the structure specialties to speed up the computation. In addition, among existing time-domain methods, explicit methods can avoid solving a matrix equation. However, their time step is traditionally restricted by the space step for ensuring the stability of a time-domain simulation. Therefore, making explicit time-domain methods unconditionally stable is important to accelerate the computation. In addition to time-domain methods, frequency-domain methods have suffered from an indefinite system that makes an iterative solution difficult to converge fast. The first contribution of this work is a fast time-domain finite-element algorithm for the analysis and design of very large-scale on-chip circuits. The structure specialty of on-chip circuits such as Manhattan geometry and layered permittivity is preserved in the proposed algorithm. As a result, the large-scale matrix solution encountered in the 3-D circuit analysis is turned into a simple scaling of the solution of a small 1-D matrix, which can be obtained in linear (optimal) complexity with negligible cost. Furthermore, the time step size is not sacrificed, and the total number of time steps to be simulated is also significantly reduced, thus achieving a total cost reduction in CPU time. The second contribution is a new method for making an explicit time-domain finite-element method (TDFEM) unconditionally stable for general electromagnetic analysis. In this method, for a given time step, we find the unstable modes that are the root cause of instability, and deduct them directly from the system matrix resulting from a TDFEM based analysis. As a result, an explicit TDFEM simulation is made stable for an arbitrarily large time step irrespective of the space step. The third contribution is a new method for full-wave applications from low to very high frequencies in a TDFEM based on matrix exponential. In this method, we directly deduct the eigenmodes having large eigenvalues from the system matrix, thus achieving a significantly increased time step in the matrix exponential based TDFEM. The fourth contribution is a new method for transforming the indefinite system matrix of a frequency-domain FEM to a symmetric positive definite one. We deduct non-positive definite component directly from the system matrix resulting from a frequency-domain FEM-based analysis. The resulting new representation of the finite-element operator ensures an iterative solution to converge in a small number of iterations. We then add back the non-positive definite component to synthesize the original solution with negligible cost.

Using decision analysis to assess comparative clinical efficacy of surgical treatment of unstable ankle fractures.

PubMed

Michelson, James D

2013-11-01

The development of a robust treatment algorithm for ankle fractures based on well-established stability criteria has been shown to be prognostic with respect to treatment and outcomes. In parallel with the development of improved understanding of the biomechanical rationale of ankle fracture treatment has been an increased emphasis on assessing the effectiveness of medical and surgical interventions. The purpose of this study was to investigate the use of using decision analysis in the assessment of the cost effectiveness of operative treatment of ankle fractures based on the existing clinical data in the literature. Using the data obtained from a previous structured review of the ankle fracture literature, decision analysis trees were constructed using standard software. The decision nodes for the trees were based on ankle fracture stability criteria previously published. The outcomes were assessed by calculated Quality-Adjusted Life Years (QALYs) assigned to achieving normal ankle function, developing posttraumatic arthritis, or sustaining a postoperative infection. Sensitivity analysis was undertaken by varying the patient's age, incidence of arthritis, and incidence or infection. Decision analysis trees captured the essential aspects of clinical decision making in ankle fracture treatment in a clinically useful manner. In general, stable fractures yielded better outcomes with nonoperative treatment, whereas unstable fractures had better outcomes with surgery. These were consistent results over a wide range of postoperative infection rates. Varying the age of the patient did not qualitatively change the results. Between the ages of 30 and 80 years, surgery yielded higher expected QALYs than nonoperative care for unstable fractures, and generated lower QALYs than nonoperative care for stable fractures. Using local cost estimates for operative and nonoperative treatment, the incremental cost of surgery for unstable fractures was less than $40,000 per QALY (the usual cutoff for the determination of cost effectiveness) for patients aged up to 90 years. Decision analysis is a useful methodology in developing treatment guidelines. Numerous previous studies have indicated superior clinical outcomes when unstable ankle fractures underwent operative reduction and stabilization. What has been lacking was an examination of the cost effectiveness of such an approach, particularly in older patients who have fewer expected years of life. In light of the evidence for satisfactory outcomes for surgery of severe ankle fractures in older people, the justification for operative intervention is an obvious question that can be asked in the current increasingly cost-conscious environment. Using a decision-tree decision analysis structured around the stability-based ankle fracture classification system, in conjunction with a relatively simple cost effectiveness analysis, this study was able to demonstrate that surgical treatment of unstable ankle fractures in elderly patients is in fact cost effective. The clinical implication of the present analysis is that these existing treatment protocols for ankle fracture treatment are also cost effective when quality of life outcome measures are taken into account. Economic Level II. See Instructions for Authors for a complete description of levels of evidence.

Structures and construction of nuclear power plants on lunar surface

NASA Astrophysics Data System (ADS)

Shimizu, Katsunori; Kobatake, Masuhiko; Ogawa, Sachio; Kanamori, Hiroshi; Okada, Yasuhiko; Mano, Hideyuki; Takagi, Kenji

1991-07-01

The best structure and construction techniques of nuclear power plants in the severe environments on the lunar surface are studied. Facility construction types (functional conditions such as stable structure, shield thickness, maintainability, safety distances, and service life), construction conditions (such as construction methods, construction equipment, number of personnel, time required for construction, external power supply, and required transportation) and construction feasibility (construction method, reactor transportation between the moon and the earth, ground excavation for installation, loading and unloading, transportation, and installation, filling up the ground, electric power supply of plant S (300 kW class) and plant L (3000 kW class)) are outlined. Items to pay attention to in construction are (1) automation and robotization of construction; (2) cost reduction by multi functional robots; and (3) methods of supplying power to robots. A precast concrete block manufacturing plant is also outlined.

Low cost and thin metasurface for ultra wide band and wide angle polarization insensitive radar cross section reduction

NASA Astrophysics Data System (ADS)

Ameri, Edris; Esmaeli, Seyed Hassan; Sedighy, Seyed Hassan

2018-05-01

A planar low cost and thin metasurface is proposed to achieve ultra-wideband radar cross section (RCS) reduction with stable performance with respect to polarization and incident angles. This metasurface is composed of two different artificial magnetic conductor unit cells arranged in a chessboard like configuration. These unit cells have a Jerusalem cross pattern with different thicknesses, which results in wideband out-phase reflection and RCS reduction, consequently. The designed metasurface reduces RCS more than 10-dB from 13.6 GHz to 45.5 GHz (108% bandwidth) and more than 20-dB RCS from 15.2 GHz to 43.6 GHz (96.6%). Moreover, the 10-dB RCS reduction bandwidth is very stable (more than 107%) for both TE and TM polarizations. The good agreement between simulations and measurement results proves the design, properly. The ultra-wide bandwidth, low cost, low profile, and stable performance of this metasurface prove its high capability compared with the state-of-the-art references.

Turbodrills and innovative PDC bits economically drilled hard formations

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

Boudreaux, R.C.; Massey, K.

1994-03-28

The use of turbodrills and polycrystalline diamond compact (PDC) bits with an innovative, tracking cutting structure has improved drilling economics in medium and hard formations in the Gulf of Mexico. Field results have confirmed that turbodrilling with trackset PDC bits reduced drilling costs, compared to offset wells. The combination of turbodrills and trackset bits has been used successfully in a broad range of applications and with various drilling parameters. Formations ranging from medium shales to hard, abrasive sands have been successfully and economically drilled. The tools have been used in both water-based and oil-based muds. Additionally, the turbo-drill and tracksetmore » PDC bit combination has been stable on directional drilling applications. The locking effect of the cutting structure helps keep the bit on course.« less

A general method for multimetallic platinum alloy nanowires as highly active and stable oxygen reduction catalysts

DOE PAGES

Bu, Lingzheng; Ding, Jiabao; Yao, Jianlin; ...

2015-10-13

The production of inorganic nanoparticles (NPs) with precise control over structures has always been a central target in various fields of chemistry and physics because the properties of NPs can be desirably manipulated by their structure. [1-4] There has been an intense search for high-performance noble metal NP catalysts particular for Pt. [5-9] Precious platinum (Pt) NPs are active catalysts for various heterogeneous reactions and show particularly superior performance in both the anodic oxidation reaction and the cathodic ORR in the fuel cells, but their rare content and high cost largely impede the practical application. [10-12] A potential strategy tomore » address this tremendous challenge is alloying Pt NPs with the transition metals (TM). [13-16]« less

Semiempirical prediction of protein folds

NASA Astrophysics Data System (ADS)

Fernández, Ariel; Colubri, Andrés; Appignanesi, Gustavo

2001-08-01

We introduce a semiempirical approach to predict ab initio expeditious pathways and native backbone geometries of proteins that fold under in vitro renaturation conditions. The algorithm is engineered to incorporate a discrete codification of local steric hindrances that constrain the movements of the peptide backbone throughout the folding process. Thus, the torsional state of the chain is assumed to be conditioned by the fact that hopping from one basin of attraction to another in the Ramachandran map (local potential energy surface) of each residue is energetically more costly than the search for a specific (Φ, Ψ) torsional state within a single basin. A combinatorial procedure is introduced to evaluate coarsely defined torsional states of the chain defined ``modulo basins'' and translate them into meaningful patterns of long range interactions. Thus, an algorithm for structure prediction is designed based on the fact that local contributions to the potential energy may be subsumed into time-evolving conformational constraints defining sets of restricted backbone geometries whereupon the patterns of nonbonded interactions are constructed. The predictive power of the algorithm is assessed by (a) computing ab initio folding pathways for mammalian ubiquitin that ultimately yield a stable structural pattern reproducing all of its native features, (b) determining the nucleating event that triggers the hydrophobic collapse of the chain, and (c) comparing coarse predictions of the stable folds of moderately large proteins (N~100) with structural information extracted from the protein data bank.

Chemically stable and mechanically durable superamphiphobic aluminum surface with a micro/nanoscale binary structure.

PubMed

Peng, Shan; Yang, Xiaojun; Tian, Dong; Deng, Wenli

2014-09-10

We developed a simple fabrication method to prepare a superamphiphobic aluminum surface. On the basis of a low-energy surface and the combination of micro- and nanoscale roughness, the resultant surface became super-repellent toward a wide range of liquids with surface tensions of 25.3-72.1 mN m(-1). The applied approach involved (1) the formation of an irregular microplateau structure on an aluminum surface, (2) the fabrication of a nanoplatelet structure, and (3) fluorination treatment. The chemical stability and mechanical durability of the superamphiphobic surface were evaluated in detail. The results demonstrated that the surface presented an excellent chemical stability toward cool corrosive liquids (HCl/NaOH solutions, 25 °C) and 98% concentrated sulfuric acid, hot liquids (water, HCl/NaOH solutions, 30-100 °C), solvent immersion, high temperature, and a long-term period. More importantly, the surface also exhibited robust mechanical durability and could withstand multiple-fold, finger-touch, intensive scratching by a sharp blade, ultrasonication treatment, boiling treatment in water and coffee, repeated peeling by adhesive tape, and even multiple abrasion tests under 500 g of force without losing superamphiphobicity. The as-prepared superamphiphobic surface was also demonstrated to have excellent corrosion resistance. This work provides a simple, cost-effective, and highly efficient method to fabricate a chemically stable and mechanically robust superamphiphobic aluminum surface, which can find important outdoor applications.

Hierarchical structure in sharply divided phase space for the piecewise linear map

NASA Astrophysics Data System (ADS)

Akaishi, Akira; Aoki, Kazuki; Shudo, Akira

2017-05-01

We have studied a two-dimensional piecewise linear map to examine how the hierarchical structure of stable regions affects the slow dynamics in Hamiltonian systems. In the phase space there are infinitely many stable regions, each of which is polygonal-shaped, and the rest is occupied by chaotic orbits. By using symbolic representation of stable regions, a procedure to compute the edges of the polygons is presented. The stable regions are hierarchically distributed in phase space and the edges of the stable regions show the marginal instability. The cumulative distribution of the recurrence time obeys a power law as ˜t-2 , the same as the one for the system with phase space, which is composed of a single stable region and chaotic components. By studying the symbol sequence of recurrence trajectories, we show that the hierarchical structure of stable regions has no significant effect on the power-law exponent and that only the marginal instability on the boundary of stable regions is responsible for determining the exponent. We also discuss the relevance of the hierarchical structure to those in more generic chaotic systems.

Solar Power Plants: Dark Horse in the Energy Stable

ERIC Educational Resources Information Center

Caputo, Richard S.

1977-01-01

Twelfth in a series of reports on solar energy, this article provides information relating to the following questions: (1) economic cost of solar-thermal-electric central power plants; (2) cost comparison with nuclear or coal plants; (3) locations of this energy source; and (4) its use and social costs. (CS)

Sharing R&D investments in international environmental agreements with asymmetric countries

NASA Astrophysics Data System (ADS)

Biancardi, Marta; Villani, Giovanni

2018-05-01

This paper studies the coalition formation and the stability of the International Environmental Agreements (IEAs) in a pollution abatement dynamic model. We point out two meaningful aspects of this topic. Firstly, we consider asymmetry among countries, dividing them into two types: developed countries with a considerable environmental awareness and developing ones that pay less attention to environmental preservation. In addition, the former have a high-technology industry that allows for a unit abatement cost lower than the latter, and that are characterized by a labour-intensive industrial structure. Secondly, we introduce a positive externality in the cooperation by considering the R&D investment as two costs, namely the research investment and the developing cost. We assume that countries can coordinate their R&D activities by sharing their fixed research investments in order to avoid duplication of green activities. Moreover, by collaborating developing efforts, cooperators benefit from a reduction of a unit abatement cost higher than defectors. On the other hand, although non-cooperators completely support R&D investments for clean technologies, they realize lower abatements and benefits of a spillover effect due to development investments realized by cooperators. These two aspects could encourage the formation of stable coalitions.

Recent Advances for the Detection of Ochratoxin A.

PubMed

Ha, Tai Hwan

2015-12-04

Ochratoxin A (OTA) is one of the mycotoxins secreted by Aspersillus and Penicillium that can easily colonize various grains like coffee, peanut, rice, and maize. Since OTA is a chemically stable compound that can endure the physicochemical conditions of modern food processing, additional research efforts have been devoted to develop sensitive and cost-effective surveillance solutions. Although traditional chromatographic and immunoassays appear to be mature enough to attain sensitivity up to the regulation levels, alternative detection schemes are still being enthusiastically pursued in an attempt to meet the requirements of rapid and cost-effective detections. Herein, this review presents recent progresses in OTA detections with minimal instrumental usage, which have been facilitated by the development of OTA aptamers and by the innovations in functional nanomaterials. In addition to the introduction of aptamer-based OTA detection techniques, OTA-specific detection principles are also presented, which exclusively take advantage of the unique chemical structure and related physicochemical characteristics.

Infiltration and hydraulic connections from the Niagara River to a fractured-dolomite aquifer in Niagara Falls, New York

USGS Publications Warehouse

Yager, R.M.; Kappel, W.M.

1998-01-01

The spatial distribution of hydrogen and oxygen stable-isotope values in groundwater can be used to distinguish different sources of recharge and to trace groundwater flow directions from recharge boundaries. This method can be particularly useful in fractured-rock settings where multiple lines of evidence are required to delineate preferential flow paths that result from heterogeneity within fracture zones. Flow paths delineated with stable isotopes can be combined with hydraulic data to form a more complete picture of the groundwater flow system. In this study values of ??D and ??18O were used to delineate paths of river-water infiltration into the Lockport Group, a fractured dolomite aquifer, and to compute the percentage of fiver water in groundwater samples from shallow bedrock wells. Flow paths were correlated with areas of high hydraulic diffusivity in the shallow bedrock that were delineated from water-level fluctuations induced by diurnal stage fluctuations in man-made hydraulic structures. Flow paths delineated with the stable-isotope and hydraulic data suggest that fiver infiltration reaches an unlined storm sewer in the bedrock through a drainage system that surrounds aqueducts carrying river water to hydroelectric power plants. This finding is significant because the storm sewer is the discharge point for contaminated groundwater from several chemical waste-disposal sites and the cost of treating the storm sewer's discharge could be reduced if the volume of infiltration from the river were decreased.The spatial distribution of hydrogen and oxygen stable-isotope values in groundwater can be used to distinguish different sources of recharge and to trace groundwater flow directions from recharge boundaries. This method can be particularly useful in fractured-rock settings where multiple lines of evidence are required to delineate preferential flow paths that result from heterogeneity within fracture zones. Flow paths delineated with stable isotopes can be combined with hydraulic data to form a more complete picture of the groundwater flow system. In this study values of ??D and ??18O were used to delineate paths of river-water infiltration into the Lockport Group, a fractured dolomite aquifer, and to compute the percentage of river water in groundwater samples from shallow bedrock wells. Flow paths were correlated with areas of high hydraulic diffusivity in the shallow bedrock that were delineated from water-level fluctuations induced by diurnal stage fluctuations in man-made hydraulic structures. Flow paths delineated with the stable-isotope and hydraulic data suggest that river infiltration reaches an unlined storm sewer in the bedrock through a drainage system that surrounds aqueducts carrying river water to hydroelectric power plants. This finding is significant because the storm sewer is the discharge point for contaminated groundwater from several chemical waste-disposal sites and the cost of treating the storm sewer's discharge could be reduced if the volume of infiltration from the river were decreased.

Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching

DTIC Science & Technology

2013-01-01

REPORT Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: The stable matching...Franceschetti 858-822-2284 3. DATES COVERED (From - To) Standard Form 298 (Rev 8/98) Prescribed by ANSI Std. Z39.18 - Jealousy Graphs: Structure and...market. Using this structure, we are able to provide a ner analysis of the complexity of a subclass of decentralized matching markets. Jealousy

Escherichia coli cell-free protein synthesis and isotope labeling of mammalian proteins.

PubMed

Terada, Takaho; Yokoyama, Shigeyuki

2015-01-01

This chapter describes the cell-free protein synthesis method, using an Escherichia coli cell extract. This is a cost-effective method for milligram-scale protein production and is particularly useful for the production of mammalian proteins, protein complexes, and membrane proteins that are difficult to synthesize by recombinant expression methods, using E. coli and eukaryotic cells. By adjusting the conditions of the cell-free method, zinc-binding proteins, disulfide-bonded proteins, ligand-bound proteins, etc., may also be produced. Stable isotope labeling of proteins can be accomplished by the cell-free method, simply by using stable isotope-labeled amino acid(s) in the cell-free reaction. Moreover, the cell-free protein synthesis method facilitates the avoidance of stable isotope scrambling and dilution over the recombinant expression methods and is therefore advantageous for amino acid-selective stable isotope labeling. Site-specific stable isotope labeling is also possible with a tRNA molecule specific to the UAG codon. By the cell-free protein synthesis method, coupled transcription-translation is performed from a plasmid vector or a PCR-amplified DNA fragment encoding the protein. A milligram quantity of protein can be produced with a milliliter-scale reaction solution in the dialysis mode. More than a thousand solution structures have been determined by NMR spectroscopy for uniformly labeled samples of human and mouse functional domain proteins, produced by the cell-free method. Here, we describe the practical aspects of mammalian protein production by the cell-free method for NMR spectroscopy. © 2015 Elsevier Inc. All rights reserved.

Functional links between stability and reactivity of strontium ruthenate single crystals during oxygen evolution

NASA Astrophysics Data System (ADS)

Chang, Seo Hyoung; Danilovic, Nemanja; Chang, Kee-Chul; Subbaraman, Ram; Paulikas, Arvydas P.; Fong, Dillon D.; Highland, Matthew J.; Baldo, Peter M.; Stamenkovic, Vojislav R.; Freeland, John W.; Eastman, Jeffrey A.; Markovic, Nenad M.

2014-06-01

In developing cost-effective complex oxide materials for the oxygen evolution reaction, it is critical to establish the missing links between structure and function at the atomic level. The fundamental and practical implications of the relationship on any oxide surface are prerequisite to the design of new stable and active materials. Here we report an intimate relationship between the stability and reactivity of oxide catalysts in exploring the reaction on strontium ruthenate single-crystal thin films in alkaline environments. We determine that for strontium ruthenate films with the same conductance, the degree of stability, decreasing in the order (001)>(110)>(111), is inversely proportional to the activity. Both stability and reactivity are governed by the potential-induced transformation of stable Ru4+ to unstable Run>4+. This ordered(Ru4+)-to-disordered(Run>4+) transition and the development of active sites for the reaction are determined by a synergy between electronic and morphological effects.

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

Wang, Lin -Lin; Johnson, Duane D.; Tringides, Michael C.

Density functional theory is used to study structural energetics of Pb vacancy cluster formation on C 60/Pb/Si(111) to explain the unusually fast and error-free transformations between the “Devil's Staircase” (DS) phases on the Pb/Si(111) wetting layer at low temperature (~110K). The formation energies of vacancy clusters are calculated in C 60/Pb/Si(111) as Pb atoms are progressively ejected from the initial dense Pb wetting layer. Vacancy clusters larger than five Pb atoms are found to be stable with seven being the most stable, while vacancy clusters smaller than five are highly unstable, which agrees well with the observed ejection rate ofmore » ~5 Pb atoms per C 60. Furthermore, the high energy cost (~0.8 eV) for the small vacancy clusters to form indicates convincingly that the unusually fast transformation observed experimentally between the DS phases, upon C 60 adsorption at low temperature, cannot be the result of single-atom random walk diffusion but of correlated multi-atom processes.« less

The politics of verification and the control of nuclear tests, 1945-1980

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

Gallagher, N.W.

1990-01-01

This dissertation addresses two questions: (1) why has agreement been reached on verification regimes to support some arms control accords but not others; and (2) what determines the extent to which verification arrangements promote stable cooperation. This study develops an alternative framework for analysis by examining the politics of verification at two levels. The logical politics of verification are shaped by the structure of the problem of evaluating cooperation under semi-anarchical conditions. The practical politics of verification are driven by players' attempts to use verification arguments to promote their desired security outcome. The historical material shows that agreements on verificationmore » regimes are reached when key domestic and international players desire an arms control accord and believe that workable verification will not have intolerable costs. Clearer understanding of how verification is itself a political problem, and how players manipulate it to promote other goals is necessary if the politics of verification are to support rather than undermine the development of stable cooperation.« less

CO2 capture from humid flue gases and humid atmosphere using a microporous coppersilicate.

PubMed

Datta, Shuvo Jit; Khumnoon, Chutharat; Lee, Zhen Hao; Moon, Won Kyung; Docao, Son; Nguyen, Thanh Huu; Hwang, In Chul; Moon, Dohyun; Oleynikov, Peter; Terasaki, Osamu; Yoon, Kyung Byung

2015-10-16

Capturing CO2 from humid flue gases and atmosphere with porous materials remains costly because prior dehydration of the gases is required. A large number of microporous materials with physical adsorption capacity have been developed as CO2-capturing materials. However, most of them suffer from CO2 sorption capacity reduction or structure decomposition that is caused by co-adsorbed H2O when exposed to humid flue gases and atmosphere. We report a highly stable microporous coppersilicate. It has H2O-specific and CO2-specific adsorption sites but does not have H2O/CO2-sharing sites. Therefore, it readily adsorbs both H2O and CO2 from the humid flue gases and atmosphere, but the adsorbing H2O does not interfere with the adsorption of CO2. It is also highly stable after adsorption of H2O and CO2 because it was synthesized hydrothermally. Copyright © 2015, American Association for the Advancement of Science.

A stable solution-processed polymer semiconductor with record high-mobility for printed transistors

PubMed Central

Li, Jun; Zhao, Yan; Tan, Huei Shuan; Guo, Yunlong; Di, Chong-An; Yu, Gui; Liu, Yunqi; Lin, Ming; Lim, Suo Hon; Zhou, Yuhua; Su, Haibin; Ong, Beng S.

2012-01-01

Microelectronic circuits/arrays produced via high-speed printing instead of traditional photolithographic processes offer an appealing approach to creating the long-sought after, low-cost, large-area flexible electronics. Foremost among critical enablers to propel this paradigm shift in manufacturing is a stable, solution-processable, high-performance semiconductor for printing functionally capable thin-film transistors — fundamental building blocks of microelectronics. We report herein the processing and optimisation of solution-processable polymer semiconductors for thin-film transistors, demonstrating very high field-effect mobility, high on/off ratio, and excellent shelf-life and operating stabilities under ambient conditions. Exceptionally high-gain inverters and functional ring oscillator devices on flexible substrates have been demonstrated. This optimised polymer semiconductor represents a significant progress in semiconductor development, dispelling prevalent skepticism surrounding practical usability of organic semiconductors for high-performance microelectronic devices, opening up application opportunities hitherto functionally or economically inaccessible with silicon technologies, and providing an excellent structural framework for fundamental studies of charge transport in organic systems. PMID:23082244

On-Field Demonstration Results of Medium Concentration System HSun®

NASA Astrophysics Data System (ADS)

Mendes-Lopes, J.; Pina, L.; Reis, F.; Coelho, S.; Wemans, J.; Sorasio, G.; Pereira, N.

2011-12-01

The paper presents the HSUN®, a new medium concentration photovoltaic (CPV) system, developed and produced by WS Energia S.A. The low cost manufacturing and standard components used by HSUN® technology increases the potential of the system to reach grid parity. The system was designed to have stable performance and low cost manufacturing, with a total active collector area of 1.68 m2 and 6.3 kg/m2 of weight. Based on a 20X integrated parabolic trough with coupled reflective secondary optics, the system uses high efficiency silicon cells, a passive cooling integrated system and is integrated in 1-axis horizontal tracking structure, the WS CPV HORIZON®. The open-chain configuration ensures that the wind drag is greatly reduced, increasing the reliability of the tracker, while the optimized optics design enables a high acceptance angle and uniform distribution of radiation throughout the PV receiver, using low-cost and low-weight components. Ray tracing simulations and experimental imaging acquisitions of the radiation profile were performed and compared, finite element models were used to perform thermal and structural analysis, and a specifically developed model was used to predict the electrical parameters of the receiver as a function of the concentration. All the components that integrate HSUN® technology are produced with machines used in mature industrial sectors thus guarantying mass production and benefiting from economies of scale. The on-field results are presented and discussed.

The coevolution of long-term pair bonds and cooperation.

PubMed

Song, Z; Feldman, M W

2013-05-01

The evolution of social traits may not only depend on but also change the social structure of the population. In particular, the evolution of pairwise cooperation, such as biparental care, depends on the pair-matching distribution of the population, and the latter often emerges as a collective outcome of individual pair-bonding traits, which are also under selection. Here, we develop an analytical model and individual-based simulations to study the coevolution of long-term pair bonds and cooperation in parental care, where partners play a Snowdrift game in each breeding season. We illustrate that long-term pair bonds may coevolve with cooperation when bonding cost is below a threshold. As long-term pair bonds lead to assortative interactions through pair-matching dynamics, they may promote the prevalence of cooperation. In addition to the pay-off matrix of a single game, the evolutionarily stable equilibrium also depends on bonding cost and accidental divorce rate, and it is determined by a form of balancing selection because the benefit from pair-bond maintenance diminishes as the frequency of cooperators increases. Our findings highlight the importance of ecological factors affecting social bonding cost and stability in understanding the coevolution of social behaviour and social structures, which may lead to the diversity of biological social systems. © 2013 The Authors. Journal of Evolutionary Biology © 2013 European Society For Evolutionary Biology.

Additives for cement compositions based on modified peat

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

Kopanitsa, Natalya, E-mail: kopanitsa@mail.ru; Sarkisov, Yurij, E-mail: sarkisov@tsuab.ru; Gorshkova, Aleksandra, E-mail: kasatkina.alexandra@gmail.com

High quality competitive dry building mixes require modifying additives for various purposes to be included in their composition. There is insufficient amount of quality additives having stable properties for controlling the properties of cement compositions produced in Russia. Using of foreign modifying additives leads to significant increasing of the final cost of the product. The cost of imported modifiers in the composition of the dry building mixes can be up to 90% of the material cost, depending on the composition complexity. Thus, the problem of import substitution becomes relevant, especially in recent years, due to difficult economic situation. The articlemore » discusses the possibility of using local raw materials as a basis for obtaining dry building mixtures components. The properties of organo-mineral additives for cement compositions based on thermally modified peat raw materials are studied. Studies of the structure and composition of the additives are carried out by physicochemical research methods: electron microscopy and X-ray analysis. Results of experimental research showed that the peat additives contribute to improving of cement-sand mortar strength and hydrophysical properties.« less

Digital robust active control law synthesis for large order systems using constrained optimization

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

1987-01-01

This paper presents a direct digital control law synthesis procedure for a large order, sampled data, linear feedback system using constrained optimization techniques to meet multiple design requirements. A linear quadratic Gaussian type cost function is minimized while satisfying a set of constraints on the design loads and responses. General expressions for gradients of the cost function and constraints, with respect to the digital control law design variables are derived analytically and computed by solving a set of discrete Liapunov equations. The designer can choose the structure of the control law and the design variables, hence a stable classical control law as well as an estimator-based full or reduced order control law can be used as an initial starting point. Selected design responses can be treated as constraints instead of lumping them into the cost function. This feature can be used to modify a control law, to meet individual root mean square response limitations as well as minimum single value restrictions. Low order, robust digital control laws were synthesized for gust load alleviation of a flexible remotely piloted drone aircraft.

Low cost stable air electrode material for high temperature solid oxide electrolyte electrochemical cells

DOEpatents

Kuo, L.J.H.; Singh, P.; Ruka, R.J.; Vasilow, T.R.; Bratton, R.J.

1997-11-11

A low cost, lanthanide-substituted, dimensionally and thermally stable, gas permeable, electrically conductive, porous ceramic air electrode composition of lanthanide-substituted doped lanthanum manganite is provided which is used as the cathode in high temperature, solid oxide electrolyte fuel cells and generators. The air electrode composition of this invention has a much lower fabrication cost as a result of using a lower cost lanthanide mixture, either a natural mixture or an unfinished lanthanide concentrate obtained from a natural mixture subjected to incomplete purification, as the raw material in place of part or all of the higher cost individual lanthanum. The mixed lanthanide primarily contains a mixture of at least La, Ce, Pr, and Nd, or at least La, Ce, Pr, Nd and Sm in its lanthanide content, but can also include minor amounts of other lanthanides and trace impurities. The use of lanthanides in place of some or all of the lanthanum also increases the dimensional stability of the air electrode. This low cost air electrode can be fabricated as a cathode for use in high temperature, solid oxide fuel cells and generators. 4 figs.

Low cost stable air electrode material for high temperature solid oxide electrolyte electrochemical cells

DOEpatents

Kuo, Lewis J. H.; Singh, Prabhakar; Ruka, Roswell J.; Vasilow, Theodore R.; Bratton, Raymond J.

1997-01-01

A low cost, lanthanide-substituted, dimensionally and thermally stable, gas permeable, electrically conductive, porous ceramic air electrode composition of lanthanide-substituted doped lanthanum manganite is provided which is used as the cathode in high temperature, solid oxide electrolyte fuel cells and generators. The air electrode composition of this invention has a much lower fabrication cost as a result of using a lower cost lanthanide mixture, either a natural mixture or an unfinished lanthanide concentrate obtained from a natural mixture subjected to incomplete purification, as the raw material in place of part or all of the higher cost individual lanthanum. The mixed lanthanide primarily contains a mixture of at least La, Ce, Pr, and Nd, or at least La, Ce, Pr, Nd and Sm in its lanthanide content, but can also include minor amounts of other lanthanides and trace impurities. The use of lanthanides in place of some or all of the lanthanum also increases the dimensional stability of the air electrode. This low cost air electrode can be fabricated as a cathode for use in high temperature, solid oxide fuel cells and generators.

Influence of task switching costs on colony homeostasis

NASA Astrophysics Data System (ADS)

Jeanson, Raphaël; Lachaud, Jean-Paul

2015-06-01

In social insects, division of labour allows colonies to optimise the allocation of workers across all available tasks to satisfy colony requirements. The maintenance of stable conditions within colonies (homeostasis) requires that some individuals move inside the nest to monitor colony needs and execute unattended tasks. We developed a simple theoretical model to explore how worker mobility inside the nest and task switching costs influence the maintenance of stable levels of task-associated stimuli. Our results indicate that worker mobility in large colonies generates important task switching costs and is detrimental to colony homeostasis. Our study suggests that the balance between benefits and costs associated with the mobility of workers patrolling inside the nest depends on colony size. We propose that several species of ants with diverse life-history traits should be appropriate to test the prediction that the proportion of mobile workers should vary during colony ontogeny.

Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.

PubMed

Karthikeyan, S; Kim, Kwang S

2009-08-13

Protonated water clusters H+(H2O)n favor two-dimensional (2D) structures for n < or = 7 at low temperatures. At 0 K, the 2D and three-dimensional (3D) structures for n = 8 are almost isoenergetic, and the 3D structures for n > 9 tend to be more stable. However, for n = 9, the netlike structures are likely to be more stable above 150 K. In this regard, we investigate the case of n = 10 to find which structure is more stable between the 3D structure and the netlike structure around 150 and 250 K. We use density functional theory, Møller-Plesset second-order perturbation theory, and coupled cluster theory with single, double, and perturbative triple excitations (CCSD(T)). At the complete basis set limit for the CCSD(T) level of theory, three isomers of 3D cage structure are much more stable in zero point energy corrected binding energy and in free binding energies at 150 K than the lowest energy netlike structures, while the netlike structure would be more stable around approximately 250 K. The predicted vibrational spectra are in good agreement with the experiment. One of the three isomers explains the experimental IR observation of an acceptor (A) type peak of a dangling hydrogen atom.

Locally optimal transfer trajectories between libration point orbits using invariant manifolds

NASA Astrophysics Data System (ADS)

Davis, Kathryn E.

2009-12-01

Techniques from dynamical systems theory and primer vector theory have been applied to the construction of locally optimal transfer trajectories between libration point orbits. When two libration point orbits have different energies, it has been found that the unstable manifold of the first orbit can be connected to the stable manifold of the second orbit with a bridging trajectory. A bounding sphere centered on the secondary, with a radius less than the radius of the sphere of influence of the secondary, was used to study the stable and unstable manifold trajectories. It was numerically demonstrated that within the bounding sphere, the two-body parameters of the unstable and stable manifold trajectories could be analyzed to locate low transfer costs. It was shown that as the two-body parameters of an unstable manifold trajectory more closely matched the two-body parameters of a stable manifold trajectory, the total DeltaV necessary to complete the transfer decreased. Primer vector theory was successfully applied to a transfer to determine the optimal maneuvers required to create the bridging trajectory that connected the unstable manifold of the first orbit to the stable manifold of the second orbit. Transfer trajectories were constructed between halo orbits in the Sun-Earth and Earth-Moon three-body systems. Multiple solutions were found between the same initial and final orbits, where certain solutions retraced interior portions of the trajectory. All of the trajectories created satisfied the conditions for optimality. The costs of transfers constructed using invariant manifolds were compared to the costs of transfers constructed without the use of invariant manifolds, when data was available. In all cases, the total cost of the transfers were significantly lower when invariant manifolds were used in the transfer construction. In many cases, the transfers that employed invariant manifolds were three to four times more efficient, in terms of fuel expenditure, than the transfer that did not. The decrease in transfer cost was accompanied by an increase in transfer time of flight. Transfers constructed in the Earth-Moon system were shown to be particularly viable for lunar navigation and communication constellations, as excellent coverage of the lunar surface can be achieved during the transfer.

Structure reveals regulatory mechanisms of a MaoC-like hydratase from Phytophthora capsici involved in biosynthesis of polyhydroxyalkanoates (PHAs).

PubMed

Wang, Huizheng; Zhang, Kai; Zhu, Jie; Song, Weiwei; Zhao, Li; Zhang, Xiuguo

2013-01-01

Polyhydroxyalkanoates (PHAs) have attracted increasing attention as "green plastic" due to their biodegradable, biocompatible, thermoplastic, and mechanical properties, and considerable research has been undertaken to develop low cost/high efficiency processes for the production of PHAs. MaoC-like hydratase (MaoC), which belongs to (R)-hydratase involved in linking the β-oxidation and the PHA biosynthetic pathways, has been identified recently. Understanding the regulatory mechanisms of (R)-hydratase catalysis is critical for efficient production of PHAs that promise synthesis an environment-friendly plastic. We have determined the crystal structure of a new MaoC recognized from Phytophthora capsici. The crystal structure of the enzyme was solved at 2.00 Å resolution. The structure shows that MaoC has a canonical (R)-hydratase fold with an N-domain and a C-domain. Supporting its dimerization observed in structure, MaoC forms a stable homodimer in solution. Mutations that disrupt the dimeric MaoC result in a complete loss of activity toward crotonyl-CoA, indicating that dimerization is required for the enzymatic activity of MaoC. Importantly, structure comparison reveals that a loop unique to MaoC interacts with an α-helix that harbors the catalytic residues of MaoC. Deletion of the loop enhances the enzymatic activity of MaoC, suggesting its inhibitory role in regulating the activity of MaoC. The data in our study reveal the regulatory mechanism of an (R)-hydratase, providing information on enzyme engineering to produce low cost PHAs.

Association of Trajectories of Higher-Level Functional Capacity with Mortality and Medical and Long-Term Care Costs Among Community-Dwelling Older Japanese.

PubMed

Taniguchi, Yu; Kitamura, Akihiko; Nofuji, Yu; Ishizaki, Tatsuro; Seino, Satoshi; Yokoyama, Yuri; Shinozaki, Tomohiro; Murayama, Hiroshi; Mitsutake, Seigo; Amano, Hidenori; Nishi, Mariko; Matsuyama, Yutaka; Fujiwara, Yoshinori; Shinkai, Shoji

2018-03-26

Higher-level functional capacity is crucial component for independent living in later life. We used repeated-measures analysis to identify aging trajectories in higher-level functional capacity. We then determined whether these trajectories were associated with all-cause mortality and examined differences in medical and long-term care costs between trajectories among community-dwelling older Japanese. 2,675 adults aged 65-90 years participated in annual geriatric health assessments and biennial health monitoring surveys during the period from October 2001 through August 2011. The average number of follow-up assessments was 4.0, and the total number of observations was 10,609. Higher-level functional capacity, which correspond to the fourth and fifth sublevels of Lawton's hierarchical model, was assessed with the Tokyo Metropolitan Institute of Gerontology-Index of Competence (TMIG-IC). We identified four distinct trajectory patterns (high-stable, late-onset decreasing, early-onset decreasing, and low-decreasing) on the TMIG-IC through age 65-90 years. As compared with the high-stable trajectory group, participants in the late-onset decreasing, early-onset decreasing, and low-decreasing TMIG-IC trajectory groups had adjusted hazard ratios for mortality of 1.22 (95% confidence interval: 1.01-1.47), 1.90 (1.53-2.36), and 2.87 (2.14-3.84), respectively. Participants with high-stable and late-onset decreasing higher-level functional capacity trajectories had lower mean monthly medical costs and long-term care costs. In contrast, mean total costs were higher for those with low-decreasing trajectories, after excluding the large increase in such costs at the end of life. People with a low-decreasing aging trajectory in higher-level functional capacity had higher risks of death and had high monthly total costs.

New two-dimensional V-V binary compounds with a honeycomb-like structure: a first-principles study

NASA Astrophysics Data System (ADS)

Xiao, Wen-Zhi; Xiao, Gang; Rong, Qing-Yan; Wang, Ling-Ling

2018-03-01

We systematically search for the stable structures of two-dimensional (2D) V-V binary compounds with honeycomb-like structure by using the first-principles calculation. We identify 26 stable structures out of 54 2D V-V compounds based on various assessments of stabilities: total energy, thermodynamics, and mechanics. Among them, 12 2D V-V compounds are previously unrecognized structures. For each class V-V isomer, the most stable structures are found to be β-AsP, β-SbAs, α-BiAs, α-BiSb, α 2-SbP, and α 2-BiP. For all isomers of the AsP, they are always stable, and hence PAs monolayer is most likely to be prepared experimentally. All the stable structures are semiconductors with bandgaps ranging from 0.06 eV to 2.52 eV at the Heyd-Scuseria-Ernzerhof level. Therefore, they are potential materials for versatile semiconductor devices. Our findings provide a new clue to facilitate the design of 2D materials for potential applications.

Adding smoking to the Fardal model of cost-effectiveness for the life-time treatment of periodontal diseases.

PubMed

Fardal, Øystein; Grytten, Jostein; Martin, John; Ellingsen, Stig; Fardal, Patrick; Heasman, Peter; Linden, Gerard J

2018-05-16

Little is known about the financial costs that smoking adds to the life-time treatment of periodontal disease. The total life-time cost of periodontal treatment was modelled using data from private periodontal practice. The costs of initial and supportive therapy, re-treatment and tooth replacements (with bridgework or implants) were identified using average dental charges from the American Dental Association survey. Smoking costs at $6 and $10 for 20 cigarettes were compared to the costs of life-time periodontal treatment for stable and unstable compliant patients. Smoking added 8.8% to the financial cost of the life-time cost of periodontal therapy in stable maintenance patients, 40.1% in patients who needed one extra maintenance visit and 71.4% in patients who needed two extra maintenance visits per year in addition to added re-treatment. The cost of smoking far exceeded the cost of periodontal treatment; For patients who smoked 10 to 40 cigarettes per day at the cost of $6 or $10 a pack, the cost of smoking exceeded the cost of life-time periodontal treatment by between 2.7 and 17.9 times. Smoking 40 cigarettes at $10 a packet for 3.4 years would pay for the entire life-time cost of periodontal treatment. Smoking adds considerable extra financial costs to the life-time treatment of periodontal diseases. The cost of smoking itself exceeds the cost of periodontal therapy. This article is protected by copyright. All rights reserved. © 2018 American Academy of Periodontology.

Control costs, enhance quality, and increase revenue in three top general public hospitals in Beijing, China.

PubMed

Zhao, Lue-Ping; Yu, Guo-Pei; Liu, Hui; Ma, Xie-Min; Wang, Jing; Kong, Gui-Lan; Li, Yi; Ma, Wen; Cui, Yong; Xu, Beibei; Yu, Na; Bao, Xiao-Yuan; Guo, Yu; Wang, Fei; Zhang, Jun; Li, Yan; Xie, Xue-Qin; Jiang, Bao-Guo; Ke, Yang

2013-01-01

With market-oriented economic and health-care reform, public hospitals in China have received unprecedented pressures from governmental regulations, public opinions, and financial demands. To adapt the changing environment and keep pace of modernizing healthcare delivery system, public hospitals in China are expanding clinical services and improving delivery efficiency, while controlling costs. Recent experiences are valuable lessons for guiding future healthcare reform. Here we carefully study three teaching hospitals, to exemplify their experiences during this period. We performed a systematic analysis on hospitalization costs, health-care quality and delivery efficiencies from 2006 to 2010 in three teaching hospitals in Beijing, China. The analysis measured temporal changes of inpatient cost per stay (CPS), cost per day (CPD), inpatient mortality rate (IMR), and length of stay (LOS), using a generalized additive model. There were 651,559 hospitalizations during the period analyzed. Averaged CPS was stable over time, while averaged CPD steadily increased by 41.7% (P<0.001), from CNY 1,531 in 2006 to CNY 2,169 in 2010. The increasing CPD seemed synchronous with the steady rising of the national annual income per capita. Surgical cost was the main contributor to the temporal change of CPD, while medicine and examination costs tended to be stable over time. From 2006 and 2010, IMR decreased by 36%, while LOS reduced by 25%. Increasing hospitalizations with higher costs, along with an overall stable CPS, reduced IMR, and shorter LOS, appear to be the major characteristics of these three hospitals at present. These three teaching hospitals have gained some success in controlling costs, improving cares, adopting modern medical technologies, and increasing hospital revenues. Effective hospital governance and physicians' professional capacity plus government regulations and supervisions may have played a role. However, purely market-oriented health-care reform could also misguide future healthcare reform.

Treatment for stable HIV patients in England: can we increase efficiency and improve patient care?

PubMed

Adams, Elisabeth; Ogden, David; Ehrlich, Alice; Hay, Phillip

2014-07-01

To estimate the costs and potential efficiency gains of changing the frequency of clinic appointments and drug dispensing arrangements for stable HIV patients compared to the costs of hospital pharmacy dispensing and home delivery. We estimated the annual costs per patient (HIV clinic visits and either first-line treatment or a common second-line regimen, with some patients switching to a second-line regimen during the year). The cost of three-, four- and six-monthly clinic appointments and drug supply was estimated assuming hospital dispensing (incurring value-added tax) and home delivery. Three-monthly appointments and hospital drug dispensing (baseline) were compared to other strategies. The baseline was the most costly option (£10,587 if first-line treatment and no switch to second-line regimen). Moving to six-monthly appointments and home delivery yielded savings of £1883 per patient annually. Assuming patients start on different regimens and may switch to second-line therapies, six-monthly appointments and three-monthly home delivery of drugs is the least expensive option and could result in nearly £2000 savings per patient. This translates to annual cost reduction of about £8 million for the estimated 4000 eligible patients not currently on home delivery in London, England. Different appointment schedules and drug supply options should be considered for stable HIV patients based on efficiency gains. However, this should be assessed for individual patients to meet their needs, especially around adherence and patient support. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Stability and Bifurcation Analysis of a Three-Species Food Chain Model with Fear

NASA Astrophysics Data System (ADS)

Panday, Pijush; Pal, Nikhil; Samanta, Sudip; Chattopadhyay, Joydev

In the present paper, we investigate the impact of fear in a tri-trophic food chain model. We propose a three-species food chain model, where the growth rate of middle predator is reduced due to the cost of fear of top predator, and the growth rate of prey is suppressed due to the cost of fear of middle predator. Mathematical properties such as equilibrium analysis, stability analysis, bifurcation analysis and persistence have been investigated. We also describe the global stability analysis of the equilibrium points. Our numerical simulations reveal that cost of fear in basal prey may exhibit bistability by producing unstable limit cycles, however, fear in middle predator can replace unstable limit cycles by a stable limit cycle or a stable interior equilibrium. We observe that fear can stabilize the system from chaos to stable focus through the period-halving phenomenon. We conclude that chaotic dynamics can be controlled by the fear factors. We apply basic tools of nonlinear dynamics such as Poincaré section and maximum Lyapunov exponent to identify the chaotic behavior of the system.

Inorganic perovskite photocatalysts for solar energy utilization.

PubMed

Zhang, Guan; Liu, Gang; Wang, Lianzhou; Irvine, John T S

2016-10-24

The development and utilization of solar energy in environmental remediation and water splitting is being intensively studied worldwide. During the past few decades, tremendous efforts have been devoted to developing non-toxic, low-cost, efficient and stable photocatalysts for water splitting and environmental remediation. To date, several hundreds of photocatalysts mainly based on metal oxides, sulfides and (oxy)nitrides with different structures and compositions have been reported. Among them, perovskite oxides and their derivatives (layered perovskite oxides) comprise a large family of semiconductor photocatalysts because of their structural simplicity and flexibility. This review specifically focuses on the general background of perovskite and its related materials, summarizes the recent development of perovskite photocatalysts and their applications in water splitting and environmental remediation, discusses the theoretical modelling and calculation of perovskite photocatalysts and presents the key challenges and perspectives on the research of perovskite photocatalysts.

Structural-based designed modular capsomere comprising HA1 for low-cost poultry influenza vaccination.

PubMed

Waneesorn, Jarurin; Wibowo, Nani; Bingham, John; Middelberg, Anton P J; Lua, Linda H L

2018-05-24

Highly pathogenic avian influenza (HPAI) viruses cause a severe and lethal infection in domestic birds. The increasing number of HPAI outbreaks has demonstrated the lack of capabilities to control the rapid spread of avian influenza. Poultry vaccination has been shown to not only reduce the virus spread in animals but also reduce the virus transmission to humans, preventing potential pandemic development. However, existing vaccine technologies cannot respond to a new virus outbreak rapidly and at a cost and scale that is commercially viable for poultry vaccination. Here, we developed modular capsomere, subunits of virus-like particle, as a low-cost poultry influenza vaccine. Modified murine polyomavirus (MuPyV) VP1 capsomere was used to present structural-based influenza Hemagglutinin (HA1) antigen. Six constructs of modular capsomeres presenting three truncated versions of HA1 and two constructs of modular capsomeres presenting non-modified HA1 have been generated. These modular capsomeres were successfully produced in stable forms using Escherichia coli, without the need for protein refolding. Based on ELISA, this adjuvanted modular capsomere (CaptHA1-3C) induced strong antibody response (almost 10 5 endpoint titre) when administered into chickens, similar to titres obtained in the group administered with insect cell-based HA1 proteins. Chickens that received adjuvanted CaptHA1-3C followed by challenge with HPAI virus were fully protected. The results presented here indicate that this platform for bacterially-produced modular capsomere could potentially translate into a rapid-response and low-cost vaccine manufacturing technology suitable for poultry vaccination. Copyright © 2016 Elsevier Ltd. All rights reserved.

Transradial percutaneous coronary intervention without on-site cardiac surgery for stable coronary disease and myocardial infarction: preliminary report and initial experience in 174 patients.

PubMed

Escárcega, Ricardo O; Pérez-Alva, Juan C; Jiménez-Hernández, Mario; Mendoza-Pinto, Claudia; Pérez, Ruben S; Porras, Renán S; García-Carrasco, Mario

2010-10-01

On-site cardiac surgery is not widely available in developing countries despite a high prevalence of coronary artery disease. To analyze the safety, feasibility and cost-effectiveness of transradial percutaneous coronary intervention without on-site cardiac surgery in a community hospital in a developing country. Of the 174 patients who underwent PCI for the first time in our center, we analyzed two groups: stable coronary disease and acute myocardial infarction. The primary endpoint was the rate of complications during the first 24 hours after PCI. We also analyzed the length of hospital stay and the rate of hospital readmission in the first week after PCI, and compared costs between the radial and femoral approaches. The study group comprised 131 patients with stable coronary disease and 43 with acute MI. Among the patients with stable coronary disease 8 (6.1%) had pulse loss, 12 (9.16%) had on-site hematoma, and 3 (2.29%) had bleeding at the site of the puncture. Among the patients with acute MI, 3 (6.98) had pulse loss and 5 (11.63%) had bleeding at the site of the puncture. There were no cases of atriovenous fistula or nerve damage. In the stable coronary disease group, 130 patients (99%) were discharged on the same day (2.4 +/- 2 hours). In the acute MI group, the length of stay was 6.6 +/- 2.5 days with at least 24 hours in the intensive care unit. There were no hospital readmissions in the first week after the procedure. The total cost, which includes equipment related to the specific approach and recovery room stay, was significantly lower with the radial approach compared to the femoral approach (US$ 500 saving per intervention). The transradial approach was safe and feasible in a community hospital in a developing country without on-site cardiac surgery backup. The radial artery approach is clearly more cost-effective than the femoral approach.

Lubricant-infused nanoparticulate coatings assembled by layer-by-layer deposition

DOE PAGES

Sunny, Steffi; Vogel, Nicolas; Howell, Caitlin; ...

2014-09-01

Omniphobic coatings are designed to repel a wide range of liquids without leaving stains on the surface. A practical coating should exhibit stable repellency, show no interference with color or transparency of the underlying substrate and, ideally, be deposited in a simple process on arbitrarily shaped surfaces. We use layer-by-layer (LbL) deposition of negatively charged silica nanoparticles and positively charged polyelectrolytes to create nanoscale surface structures that are further surface-functionalized with fluorinated silanes and infiltrated with fluorinated oil, forming a smooth, highly repellent coating on surfaces of different materials and shapes. We show that four or more LbL cycles introducemore » sufficient surface roughness to effectively immobilize the lubricant into the nanoporous coating and provide a stable liquid interface that repels water, low-surface-tension liquids and complex fluids. The absence of hierarchical structures and the small size of the silica nanoparticles enables complete transparency of the coating, with light transmittance exceeding that of normal glass. The coating is mechanically robust, maintains its repellency after exposure to continuous flow for several days and prevents adsorption of streptavidin as a model protein. As a result, the LbL process is conceptually simple, of low cost, environmentally benign, scalable, automatable and therefore may present an efficient synthetic route to non-fouling materials.« less

Lubricant-Infused Nanoparticulate Coatings Assembled by Layer-by-Layer Deposition

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

Sunny, S; Vogel, N; Howell, C

2014-09-01

Omniphobic coatings are designed to repel a wide range of liquids without leaving stains on the surface. A practical coating should exhibit stable repellency, show no interference with color or transparency of the underlying substrate and, ideally, be deposited in a simple process on arbitrarily shaped surfaces. We use layer-by-layer (LbL) deposition of negatively charged silica nanoparticles and positively charged polyelectrolytes to create nanoscale surface structures that are further surface-functionalized with fluorinated silanes and infiltrated with fluorinated oil, forming a smooth, highly repellent coating on surfaces of different materials and shapes. We show that four or more LbL cycles introducemore » sufficient surface roughness to effectively immobilize the lubricant into the nanoporous coating and provide a stable liquid interface that repels water, low-surface-tension liquids and complex fluids. The absence of hierarchical structures and the small size of the silica nanoparticles enables complete transparency of the coating, with light transmittance exceeding that of normal glass. The coating is mechanically robust, maintains its repellency after exposure to continuous flow for several days and prevents adsorption of streptavidin as a model protein. The LbL process is conceptually simple, of low cost, environmentally benign, scalable, automatable and therefore may present an efficient synthetic route to non-fouling materials.« less

Global analysis of protein folding using massively parallel design, synthesis and testing

PubMed Central

Rocklin, Gabriel J.; Chidyausiku, Tamuka M.; Goreshnik, Inna; Ford, Alex; Houliston, Scott; Lemak, Alexander; Carter, Lauren; Ravichandran, Rashmi; Mulligan, Vikram K.; Chevalier, Aaron; Arrowsmith, Cheryl H.; Baker, David

2017-01-01

Proteins fold into unique native structures stabilized by thousands of weak interactions that collectively overcome the entropic cost of folding. Though these forces are “encoded” in the thousands of known protein structures, “decoding” them is challenging due to the complexity of natural proteins that have evolved for function, not stability. Here we combine computational protein design, next-generation gene synthesis, and a high-throughput protease susceptibility assay to measure folding and stability for over 15,000 de novo designed miniproteins, 1,000 natural proteins, 10,000 point-mutants, and 30,000 negative control sequences, identifying over 2,500 new stable designed proteins in four basic folds. This scale—three orders of magnitude greater than that of previous studies of design or folding—enabled us to systematically examine how sequence determines folding and stability in uncharted protein space. Iteration between design and experiment increased the design success rate from 6% to 47%, produced stable proteins unlike those found in nature for topologies where design was initially unsuccessful, and revealed subtle contributions to stability as designs became increasingly optimized. Our approach achieves the long-standing goal of a tight feedback cycle between computation and experiment, and promises to transform computational protein design into a data-driven science. PMID:28706065

Evolution of Costs of Inflammatory Bowel Disease over Two Years of Follow-Up

PubMed Central

van der Valk, Mirthe E.; Mangen, Marie-Josée J.; Severs, Mirjam; van der Have, Mike; Dijkstra, Gerard; van Bodegraven, Ad A.; Fidder, Herma H.; de Jong, Dirk J.; van der Woude, C. Janneke; Romberg-Camps, Mariëlle J. L.; Clemens, Cees H. M.; Jansen, Jeroen M.; van de Meeberg, Paul C.; Mahmmod, Nofel; van der Meulen-de Jong, Andrea E.; Ponsioen, Cyriel Y.; Bolwerk, Clemens; Vermeijden, J. Reinoud; Siersema, Peter D.; Leenders, Max; Oldenburg, Bas

2016-01-01

Background With the increasing use of anti-TNF therapy in inflammatory bowel disease (IBD), a shift of costs has been observed with medication costs replacing hospitalization and surgery as major cost driver. We aimed to explore the evolution of IBD-related costs over two years of follow-up. Methods and Findings In total 1,307 Crohn's disease (CD) patients and 915 ulcerative colitis (UC) patients were prospectively followed for two years by three-monthly web-based questionnaires. Changes of healthcare costs, productivity costs and out-of-pocket costs over time were assessed using mixed model analysis. Multivariable logistic regression analysis was used to identify costs drivers. In total 737 CD patients and 566 UC were included. Total costs were stable over two years of follow-up, with annual total costs of €7,835 in CD and €3,600 in UC. However, within healthcare costs, the proportion of anti-TNF therapy-related costs increased from 64% to 72% in CD (p<0.01) and from 31% to 39% in UC (p < 0.01). In contrast, the proportion of hospitalization costs decreased from 19% to 13% in CD (p<0.01), and 22% to 15% in UC (p < 0.01). Penetrating disease course predicted an increase of healthcare costs (adjusted odds ratio (adj. OR) 1.95 (95% CI 1.02–3.37) in CD and age <40 years in UC (adj. OR 4.72 (95% CI 1.61–13.86)). Conclusions BD-related costs remained stable over two years. However, the proportion of anti-TNF-related healthcare costs increased, while hospitalization costs decreased. Factors associated with increased costs were penetrating disease course in CD and age <40 in UC. PMID:27099937

Weapon System Requirements: Detailed Systems Engineering Prior to Product Development Positions Programs for Success

DTIC Science & Technology

2016-11-01

systems engineering had better outcomes. For example, the Small Diameter Bomb Increment I program, which delivered within cost and schedule estimates ...its current portfolio. This portfolio has experienced cost growth of 48 percent since first full estimates and average delays in delivering initial...stable design, building and testing of prototypes, and demonstration of mature production processes. • Realistic cost estimate : Sound cost estimates

A Free Energy Barrier Caused by the Refolding of an Oligomeric Intermediate Controls the Lag Time of Amyloid Formation by hIAPP.

PubMed

Serrano, Arnaldo L; Lomont, Justin P; Tu, Ling-Hsien; Raleigh, Daniel P; Zanni, Martin T

2017-11-22

Transiently populated oligomers formed en route to amyloid fibrils may constitute the most toxic aggregates associated with many amyloid-associated diseases. Most nucleation theories used to describe amyloid aggregation predict low oligomer concentrations and do not take into account free energy costs that may be associated with structural rearrangements between the oligomer and fiber states. We have used isotope labeling and two-dimensional infrared spectroscopy to spectrally resolve an oligomeric intermediate during the aggregation of the human islet amyloid protein (hIAPP or amylin), the protein associated with type II diabetes. A structural rearrangement includes the F 23 G 24 A 25 I 26 L 27 region of hIAPP, which starts from a random coil structure, evolves into ordered β-sheet oligomers containing at least 5 strands, and then partially disorders in the fibril structure. The supercritical concentration is measured to be between 150 and 250 μM, which is the thermodynamic parameter that sets the free energy of the oligomers. A 3-state kinetic model fits the experimental data, but only if it includes a concentration independent free energy barrier >3 kcal/mol that represents the free energy cost of refolding the oligomeric intermediate into the structure of the amyloid fibril; i.e., "oligomer activation" is required. The barrier creates a transition state in the free energy landscape that slows fibril formation and creates a stable population of oligomers during the lag phase, even at concentrations below the supercritical concentration. Largely missing in current kinetic models is a link between structure and kinetics. Our experiments and modeling provide evidence that protein structural rearrangements during aggregation impact the populations and kinetics of toxic oligomeric species.

Biopolymers for sample collection, protection, and preservation.

PubMed

Sorokulova, Iryna; Olsen, Eric; Vodyanoy, Vitaly

2015-07-01

One of the principal challenges in the collection of biological samples from air, water, and soil matrices is that the target agents are not stable enough to be transferred from the collection point to the laboratory of choice without experiencing significant degradation and loss of viability. At present, there is no method to transport biological samples over considerable distances safely, efficiently, and cost-effectively without the use of ice or refrigeration. Current techniques of protection and preservation of biological materials have serious drawbacks. Many known techniques of preservation cause structural damages, so that biological materials lose their structural integrity and viability. We review applications of a novel bacterial preservation process, which is nontoxic and water soluble and allows for the storage of samples without refrigeration. The method is capable of protecting the biological sample from the effects of environment for extended periods of time and then allows for the easy release of these collected biological materials from the protective medium without structural or DNA damage. Strategies for sample collection, preservation, and shipment of bacterial, viral samples are described. The water-soluble polymer is used to immobilize the biological material by replacing the water molecules within the sample with molecules of the biopolymer. The cured polymer results in a solid protective film that is stable to many organic solvents, but quickly removed by the application of the water-based solution. The process of immobilization does not require the use of any additives, accelerators, or plastifiers and does not involve high temperature or radiation to promote polymerization.

Cost-effectiveness of subdermal implantable buprenorphine versus sublingual buprenorphine to treat opioid use disorder.

PubMed

Carter, John A; Dammerman, Ryan; Frost, Michael

2017-08-01

Subdermal implantable buprenorphine (BSI) was recently approved to treat opioid use disorder (OUD) in clinically-stable adults. In the pivotal clinical trial, BSI was associated with a higher proportion of completely-abstinent patients (85.7% vs 71.9%; p = .03) vs sublingual buprenorphine (SL-BPN). Elsewhere, relapse to illicit drug use is associated with diminished treatment outcomes and increased costs. This study evaluated the cost-effectiveness of BSI vs SL-BPN from a US societal perspective. A Markov model simulated BSI and SL-BPN cohorts (clinically-stable adults) transiting through four mutually-exclusive health states for 12 months. Cohorts accumulated direct medical costs from drug acquisition/administration; treatment-diversion/abuse; newly-acquired hepatitis-C; emergency room, hospital, and rehabilitation services; and pediatric poisonings. Non-medical costs of criminality, lost wages/work-productivity, and out-of-pocket expenses were also included. Transition probabilities to a relapsed state were derived from the aforementioned trial. Other transition probabilities, costs, and health-state utilities were derived from observational studies and adjusted for trial characteristics. Outcomes included incremental cost per quality-adjusted-life-year (QALY) gained and incremental net-monetary-benefit (INMB). Uncertainty was assessed by univariate and probabilistic sensitivity analysis (PSA). BSI was associated with lower total costs (-$4,386), more QALYs (+0.031), and favorable INMB at all willingness-to-pay (WTP) thresholds considered. Higher drug acquisition costs for BSI (+$6,492) were outpaced, primarily by reductions in emergency room/hospital utilization (-$8,040) and criminality (-$1,212). BSI was cost-effective in 89% of PSA model replicates, and had a significantly higher NMB at $50,000/QALY ($20,783 vs $15,007; p < .05). BSI was preferred over SL-BPN from a health-economic perspective for treatment of OUD in clinically-stable adults. These findings should be interpreted carefully, due to some relationships having been modeled from inputs derived from multiple sources, and would benefit from comparison with outcomes from studies that employ administrative claims data or a naturalistic comparative design.

Economic agglomerations and spatio-temporal cycles in a spatial growth model with capital transport cost

NASA Astrophysics Data System (ADS)

Juchem Neto, J. P.; Claeyssen, J. C. R.; Pôrto Júnior, S. S.

2018-03-01

In this paper we introduce capital transport cost in a unidimensional spatial Solow-Swan model of economic growth with capital-induced labor migration, considered in an unbounded domain. Proceeding with a stability analysis, we show that there is a critical value for the capital transport cost where the dynamic behavior of the economy changes, provided that the intensity of capital-induced labor migration is strong enough. On the one hand, if the capital transport cost is higher than this critical value, the spatially homogeneous equilibrium of coexistence of the model is stable, and the economy converges to this spatially homogeneous state in the long run; on the other hand, if transport cost is lower than this critical value, the equilibrium is unstable, and the economy may develop different spatio-temporal dynamics, including the formation of stable economic agglomerations and spatio-temporal economic cycles, depending on the other parameters in the model. Finally, numerical simulations support the results of the stability analysis, and illustrate the spatio-temporal dynamics generated by the model, suggesting that the economy as a whole benefits from the formation of economic agglomerations and cycles, with a higher capital transport cost reducing this gain.

The effect of travel loss on evolutionarily stable distributions of populations in space.

PubMed

Deangelis, Donald L; Wolkowicz, Gail S K; Lou, Yuan; Jiang, Yuexin; Novak, Mark; Svanbäck, Richard; Araújo, Márcio S; Jo, Youngseung; Cleary, Erin A

2011-07-01

A key assumption of the ideal free distribution (IFD) is that there are no costs in moving between habitat patches. However, because many populations exhibit more or less continuous population movement between patches and traveling cost is a frequent factor, it is important to determine the effects of costs on expected population movement patterns and spatial distributions. We consider a food chain (tritrophic or bitrophic) in which one species moves between patches, with energy cost or mortality risk in movement. In the two-patch case, assuming forced movement in one direction, an evolutionarily stable strategy requires bidirectional movement, even if costs during movement are high. In the N-patch case, assuming that at least one patch is linked bidirectionally to all other patches, optimal movement rates can lead to source-sink dynamics where patches with negative growth rates are maintained by other patches with positive growth rates. As well, dispersal between patches is not balanced (even in the two-patch case), leading to a deviation from the IFD. Our results indicate that cost-associated forced movement can have important consequences for spatial metapopulation dynamics. Relevance to marine reserve design and the study of stream communities subject to drift is discussed.

The optimal imaging strategy for patients with stable chest pain: a cost-effectiveness analysis.

PubMed

Genders, Tessa S S; Petersen, Steffen E; Pugliese, Francesca; Dastidar, Amardeep G; Fleischmann, Kirsten E; Nieman, Koen; Hunink, M G Myriam

2015-04-07

The optimal imaging strategy for patients with stable chest pain is uncertain. To determine the cost-effectiveness of different imaging strategies for patients with stable chest pain. Microsimulation state-transition model. Published literature. 60-year-old patients with a low to intermediate probability of coronary artery disease (CAD). Lifetime. The United States, the United Kingdom, and the Netherlands. Coronary computed tomography (CT) angiography, cardiac stress magnetic resonance imaging, stress single-photon emission CT, and stress echocardiography. Lifetime costs, quality-adjusted life-years (QALYs), and incremental cost-effectiveness ratios. The strategy that maximized QALYs and was cost-effective in the United States and the Netherlands began with coronary CT angiography, continued with cardiac stress imaging if angiography found at least 50% stenosis in at least 1 coronary artery, and ended with catheter-based coronary angiography if stress imaging induced ischemia of any severity. For U.K. men, the preferred strategy was optimal medical therapy without catheter-based coronary angiography if coronary CT angiography found only moderate CAD or stress imaging induced only mild ischemia. In these strategies, stress echocardiography was consistently more effective and less expensive than other stress imaging tests. For U.K. women, the optimal strategy was stress echocardiography followed by catheter-based coronary angiography if echocardiography induced mild or moderate ischemia. Results were sensitive to changes in the probability of CAD and assumptions about false-positive results. All cardiac stress imaging tests were assumed to be available. Exercise electrocardiography was included only in a sensitivity analysis. Differences in QALYs among strategies were small. Coronary CT angiography is a cost-effective triage test for 60-year-old patients who have nonacute chest pain and a low to intermediate probability of CAD. Erasmus University Medical Center.

Air-stable memory array of bistable rectifying diodes based on ferroelectric-semiconductor polymer blends

NASA Astrophysics Data System (ADS)

Kumar, Manasvi; Sharifi Dehsari, Hamed; Anwar, Saleem; Asadi, Kamal

2018-03-01

Organic bistable diodes based on phase-separated blends of ferroelectric and semiconducting polymers have emerged as promising candidates for non-volatile information storage for low-cost solution processable electronics. One of the bottlenecks impeding upscaling is stability and reliable operation of the array in air. Here, we present a memory array fabricated with an air-stable amine-based semiconducting polymer. Memory diode fabrication and full electrical characterizations were carried out in atmospheric conditions (23 °C and 45% relative humidity). The memory diodes showed on/off ratios greater than 100 and further exhibited robust and stable performance upon continuous write-read-erase-read cycles. Moreover, we demonstrate a 4-bit memory array that is free from cross-talk with a shelf-life of several months. Demonstration of the stability and reliable air operation further strengthens the feasibility of the resistance switching in ferroelectric memory diodes for low-cost applications.

[Analysis of medical cost of atlantoaxial disorders in patients receiving innovated treatment technologies].

PubMed

Wu, Yunxia; Liu, Zhongjun

2016-01-19

To explore the effects of innovated technologies and products on improving outcomes and decreasing medical costs by analyzing a total and subtotal medical costs of patients with atlantoaxial disorders. The medical costs of 1 489 patients with atlantoaxial disorders from Peking University Third Hospital from 2005 to 2014, who received innovated technologies and products treatment were retrospectively analyzed and compared.Descriptive analysis and ANOVA were used for statistical analysis, and SPSS 19.0 was used to analyze data. From 2005 to 2014, under the situation of a general increase in medical cost by 327%, the total medical costs were stable for patients who used innovated technologies and products for treatment, fluctuating from 20 851 in 2005 to 20 878 in 2014; however, the cases of operation increased year by year, from 88 in 2005 to 163 in 2014; the average length of stay decreased from 21 in 2005 to 10 in 2014; the total cases of transfusion were 22 from 2005 to 2014; the safety, stability and feasibility of the innovated technologies and products were illustrated through the decrease of average length of stay, the reduction of bleeding and the significance of outcomes. It is illustrated that the innovated technologies and products not only decrease patients' suffering and medical costs but also are safe, stable and feasible.

Integration of aerobic granular sludge and mesh filter membrane bioreactor for cost-effective wastewater treatment.

PubMed

Li, Wen-Wei; Wang, Yun-Kun; Sheng, Guo-Ping; Gui, Yong-Xin; Yu, Lei; Xie, Tong-Qing; Yu, Han-Qing

2012-10-01

Conventional MBR has been mostly based on floc sludge and the use of costly microfiltration membranes. Here, a novel aerobic granule (AG)-mesh filter MBR (MMBR) process was developed for cost-effective wastewater treatment. During 32-day continuous operation, a predominance of granules was maintained in the system, and good filtration performance was achieved at a low trans-membrane pressure (TMP) of below 0.025 m. The granules showed a lower fouling propensity than sludge flocs, attributed to the formation of more porous biocake layer at mesh surface. A low-flux and low-TMP filtration favored a stable system operation. In addition, the reactor had high pollutant removal efficiencies, with a 91.4% chemical oxygen demand removal, 95.7% NH(4)(+) removal, and a low effluent turbidity of 4.1 NTU at the stable stage. This AG-MMBR process offers a promising technology for low-cost and efficient treatment of wastewaters. Copyright © 2012 Elsevier Ltd. All rights reserved.

In-depth Qualitative and Quantitative Profiling of Tyrosine Phosphorylation Using a Combination of Phosphopeptide Immunoaffinity Purification and Stable Isotope Dimethyl Labeling*

PubMed Central

Boersema, Paul J.; Foong, Leong Yan; Ding, Vanessa M. Y.; Lemeer, Simone; van Breukelen, Bas; Philp, Robin; Boekhorst, Jos; Snel, Berend; den Hertog, Jeroen; Choo, Andre B. H.; Heck, Albert J. R.

2010-01-01

Several mass spectrometry-based assays have emerged for the quantitative profiling of cellular tyrosine phosphorylation. Ideally, these methods should reveal the exact sites of tyrosine phosphorylation, be quantitative, and not be cost-prohibitive. The latter is often an issue as typically several milligrams of (stable isotope-labeled) starting protein material are required to enable the detection of low abundance phosphotyrosine peptides. Here, we adopted and refined a peptidecentric immunoaffinity purification approach for the quantitative analysis of tyrosine phosphorylation by combining it with a cost-effective stable isotope dimethyl labeling method. We were able to identify by mass spectrometry, using just two LC-MS/MS runs, more than 1100 unique non-redundant phosphopeptides in HeLa cells from about 4 mg of starting material without requiring any further affinity enrichment as close to 80% of the identified peptides were tyrosine phosphorylated peptides. Stable isotope dimethyl labeling could be incorporated prior to the immunoaffinity purification, even for the large quantities (mg) of peptide material used, enabling the quantification of differences in tyrosine phosphorylation upon pervanadate treatment or epidermal growth factor stimulation. Analysis of the epidermal growth factor-stimulated HeLa cells, a frequently used model system for tyrosine phosphorylation, resulted in the quantification of 73 regulated unique phosphotyrosine peptides. The quantitative data were found to be exceptionally consistent with the literature, evidencing that such a targeted quantitative phosphoproteomics approach can provide reproducible results. In general, the combination of immunoaffinity purification of tyrosine phosphorylated peptides with large scale stable isotope dimethyl labeling provides a cost-effective approach that can alleviate variation in sample preparation and analysis as samples can be combined early on. Using this approach, a rather complete qualitative and quantitative picture of tyrosine phosphorylation signaling events can be generated. PMID:19770167

Cost-effectiveness analysis of fixation options for intertrochanteric hip fractures.

PubMed

Swart, Eric; Makhni, Eric C; Macaulay, William; Rosenwasser, Melvin P; Bozic, Kevin J

2014-10-01

Intertrochanteric hip fractures are a major source of morbidity and financial burden, accounting for 7% of osteoporotic fractures and costing nearly $6 billion annually in the United States. Traditionally, "stable" fracture patterns have been treated with an extramedullary sliding hip screw whereas "unstable" patterns have been treated with the more expensive intramedullary nail. The purpose of this study was to identify parameters to guide cost-effective implant choices with use of decision-analysis techniques to model these common clinical scenarios. An expected-value decision-analysis model was constructed to estimate the total costs and health utility based on the choice of a sliding hip screw or an intramedullary nail for fixation of an intertrochanteric hip fracture. Values for critical parameters, such as fixation failure rate, were derived from the literature. Three scenarios were evaluated: (1) a clearly stable fracture (AO type 31-A1), (2) a clearly unstable fracture (A3), or (3) a fracture with questionable stability (A2). Sensitivity analysis was performed to test the validity of the model. The fixation failure rate and implant cost were the most important factors in determining implant choice. When the incremental cost for the intramedullary nail was set at the median value ($1200), intramedullary nailing had an incremental cost-effectiveness ratio of $50,000/quality-adjusted life year when the incremental failure rate of sliding hip screws was 1.9%. When the incremental failure rate of sliding hip screws was >5.0%, intramedullary nails dominated with lower cost and better health outcomes. The sliding hip screw was always more cost-effective for A1 fractures, and the intramedullary nail always dominated for A3 fractures. As for A2 fractures, the sliding hip screw was cost-effective in 70% of the cases, although this was highly sensitive to the failure rate. Sliding hip screw fixation is likely more cost-effective for stable intertrochanteric fractures (A1) or those with questionable stability (A2), whereas intramedullary nail fixation is more cost-effective for reverse obliquity fractures (A3). These conclusions are highly sensitive to the fixation failure rate, which was the major influence on the model results. Copyright © 2014 by The Journal of Bone and Joint Surgery, Incorporated.

A top-down approach for fabricating free-standing bio-carbon supercapacitor electrodes with a hierarchical structure.

PubMed

Li, Yingzhi; Zhang, Qinghua; Zhang, Junxian; Jin, Lei; Zhao, Xin; Xu, Ting

2015-09-23

Biomass has delicate hierarchical structures, which inspired us to develop a cost-effective route to prepare electrode materials with rational nanostructures for use in high-performance storage devices. Here, we demonstrate a novel top-down approach for fabricating bio-carbon materials with stable structures and excellent diffusion pathways; this approach is based on carbonization with controlled chemical activation. The developed free-standing bio-carbon electrode exhibits a high specific capacitance of 204 F g(-1) at 1 A g(-1); good rate capability, as indicated by the residual initial capacitance of 85.5% at 10 A g(-1); and a long cycle life. These performance characteristics are attributed to the outstanding hierarchical structures of the electrode material. Appropriate carbonization conditions enable the bio-carbon materials to inherit the inherent hierarchical texture of the original biomass, thereby facilitating effective channels for fast ion transfer. The macropores and mesopores that result from chemical activation significantly increase the specific surface area and also play the role of temporary ion-buffering reservoirs, further shortening the ionic diffusion distance.

Solution processable inverted structure ZnO-organic hybrid heterojuction white LEDs

NASA Astrophysics Data System (ADS)

Bano, N.; Hussain, I.; Soomro, M. Y.; EL-Naggar, A. M.; Albassam, A. A.

2018-05-01

Improving luminance efficiency and colour purity are the most important challenges for zinc oxide (ZnO)-organic hybrid heterojunction light emitting diodes (LEDs), affecting their large area applications. If ZnO-organic hybrid heterojunction white LEDs are fabricated by a hydrothermal method, it is difficult to obtain pure and stable blue emission from PFO due to the presence of an undesirable green emission. In this paper, we present an inverted-structure ZnO-organic hybrid heterojunction LED to avoid green emission from PFO, which mainly originates during device processing. With this configuration, each ZnO nanorod (NR) forms a discrete p-n junction; therefore, large-area white LEDs can be designed without compromising the junction area. The configuration used for this novel structure is glass/ZnO NRs/PFO/PEDOT:PSS/L-ITO, which enables the development of efficient, large-area and low-cost hybrid heterojunction LEDs. Inverted-structure ZnO-organic hybrid heterojunction white LEDs offer several improvements in terms of brightness, size, colour, external quantum efficiency and a wider applicability as compared to normal architecture LEDs.

Multi-month prescriptions, fast-track refills, and community ART groups: results from a process evaluation in Malawi on using differentiated models of care to achieve national HIV treatment goals.

PubMed

Prust, Margaret L; Banda, Clement K; Nyirenda, Rose; Chimbwandira, Frank; Kalua, Thokozani; Jahn, Andreas; Eliya, Michael; Callahan, Katie; Ehrenkranz, Peter; Prescott, Marta R; McCarthy, Elizabeth A; Tagar, Elya; Gunda, Andrews

2017-07-21

In order to facilitate scale-up of antiretroviral therapy (ART) in Malawi, innovative and pragmatic models have been developed to optimize the efficiency of HIV service delivery. In particular, three models of differentiated care have emerged for stable patients: adjusted appointment spacing through multi-month scripting (MMS); fast-track drug refills (FTRs) on alternating visits; and community ART groups (CAGs) where group members rotate in collecting medications at the facility for all members. This study aimed to assess the extent to which ART patients in Malawi are differentiated based on clinical stability and describe the characteristics and costs associated with the models of differentiated care offered. A mixed methods process evaluation was conducted from 30 purposefully selected ART facilities. Cross-sectional data for this evaluation was collected between February and May 2016. The following forms of data collection are reported here: structured surveys with 136 health care workers; reviews of 75,364 patient clinical records; 714 observations of visit time and flow; and 30 questionnaires on facility characteristics. Among ART patients, 77.5% (95% confidence interval [CI] 74.1-80.6) were eligible for differentiated models of care based on criteria for clinical stability from national guidelines. Across all facilities, 69% of patients were receiving MMS. In facilities offering FTRs and CAGs, 67% and 6% of patients were enrolled in the models, respectively. However, eligibility criteria were used inconsistently: 72.9% (95% CI 66.3-78.6) of eligible patients and 42.3% (95% CI 33.1-52.0) ineligible patients received MMS. Results indicated that patient travel and time costs were reduced by 67%, and the unit costs of ART service delivery through the MMS, FTR and CAG models were similar, representing a reduction of approximately 10% in the annual unit cost of providing care to stable patients that receive no model. MMS is being implemented nationally and has already generated cost savings and efficiencies in Malawi for patients and the health system, but could be improved by more accurate patient differentiation. While expanding FTRs and CAGs may not offer significant further cost savings in Malawi, future studies should investigate if such alternative models lead to improvements in patient satisfaction or clinical outcomes that might justify their implementation.

Top predators induce the evolutionary diversification of intermediate predator species.

PubMed

Zu, Jian; Yuan, Bo; Du, Jianqiang

2015-12-21

We analyze the evolutionary branching phenomenon of intermediate predator species in a tritrophic food chain model by using adaptive dynamics theory. Specifically, we consider the adaptive diversification of an intermediate predator species that feeds on a prey species and is fed upon by a top predator species. We assume that the intermediate predator׳s ability to forage on the prey can adaptively improve, but this comes at the cost of decreased defense ability against the top predator. First, we identify the general properties of trade-off relationships that lead to a continuously stable strategy or to evolutionary branching in the intermediate predator species. We find that if there is an accelerating cost near the singular strategy, then that strategy is continuously stable. In contrast, if there is a mildly decelerating cost near the singular strategy, then that strategy may be an evolutionary branching point. Second, we find that after branching has occurred, depending on the specific shape and strength of the trade-off relationship, the intermediate predator species may reach an evolutionarily stable dimorphism or one of the two resultant predator lineages goes extinct. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

Synthesis of nickel entities: From highly stable zerovalent nanoclusters to nanowires. Growth control and catalytic behavior.

PubMed

Peinetti, Ana S; Mizrahi, Martín; Requejo, Félix G; Buceta, David; López-Quintela, M Arturo; González, Graciela A; Battaglini, Fernando

2018-04-15

Non-noble metal nanoclusters synthesis is receiving increased attention due to their unique catalytic properties and lower cost. Herein, the synthesis of ligand-free Ni nanoclusters with an average diameter of 0.7 nm corresponding to a structure of 13 atoms is presented; they exhibit a zero-valence state and a high stability toward oxidation and thermal treatment. The nanoclusters formation method consists in the electroreduction of nickel ions inside an ordered mesoporous alumina; also, by increasing the current density, other structures can be obtained reaching to nanowires of 10 nm diameter. A seed-mediated mechanism is proposed to explain the growth to nanowires inside these mesoporous cavities. The size dependence on the catalytic behavior of these entities is illustrated by studying the reduction of methylene blue where the nanoclusters show an outstanding performance. Copyright © 2018 Elsevier Inc. All rights reserved.

Laser-Induced Molybdenum Carbide-Graphene Composites for 3D Foldable Paper Electronics.

PubMed

Zang, Xining; Shen, Caiwei; Chu, Yao; Li, Buxuan; Wei, Minsong; Zhong, Junwen; Sanghadasa, Mohan; Lin, Liwei

2018-05-15

Versatile and low-cost manufacturing processes/materials are essential for the development of paper electronics. Here, a direct-write laser patterning process is developed to make conductive molybdenum carbide-graphene (MCG) composites directly on paper substrates. The hierarchically porous MCG structures are converted from fibrous paper soaked with the gelatin-mediated inks containing molybdenum ions. The resulting Mo 3 C 2 and graphene composites are mechanically stable and electrochemically active for various potential applications, such as electrochemical ion detectors and gas sensors, energy harvesters, and supercapacitors. Experimentally, the electrical conductivity of the composite is resilient to mechanical deformation with less than 5% degradation after 750 cycles of 180° repeated folding tests. As such, the direct laser conversion of MCGs on papers can be applicable for paper-based electronics, including the 3D origami folding structures. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detailed investigation of Na2.24FePO4CO3 as a cathode material for Na-ion batteries

PubMed Central

Huang, Weifeng; Zhou, Jing; Li, Biao; Ma, Jin; Tao, Shi; Xia, Dingguo; Chu, Wangsheng; Wu, Ziyu

2014-01-01

Na-ion batteries are gaining an increased recognition as the next generation low cost energy storage devices. Here, we present a characterization of Na3FePO4CO3 nanoplates as a novel cathode material for sodium ion batteries. First-principles calculations reveal that there are two paths for Na ion migration along b and c axis. In-situ and ex-situ Fe K-edge X-ray absorption near edge structure (XANES) point out that in Na3FePO4CO3 both Fe2+/Fe3+ and Fe3+/Fe4+ redox couples are electrochemically active, suggesting also the existence of a two-electron intercalation reaction. Ex-situ X-ray powder diffraction data demonstrates that the crystalline structure of Na3FePO4CO3 remains stable during the charging/discharging process within the range 2.0–4.55 V. PMID:24595232

Oxygen-rich hierarchical porous carbon derived from artemia cyst shells with superior electrochemical performance.

PubMed

Zhao, Yufeng; Ran, Wei; He, Jing; Song, Yanfang; Zhang, Chunming; Xiong, Ding-Bang; Gao, Faming; Wu, Jinsong; Xia, Yongyao

2015-01-21

In this study, three-dimensional (3D) hierarchical porous carbon with abundant functional groups is produced through a very simple low-cost carbonization of Artemia cyst shells. The unique hierarchical porous structure of this material, combining large numbers of micropores and macropores, as well as reasonable amount of mesopores, is proven favorable to capacitive behavior. The abundant oxygen functional groups from the natural carbon precursor contribute stable pseudocapacitance. As-prepared sample exhibits high specific capacitance (369 F g(-1) in 1 M H2SO4 and 349 F g(-1) in 6 M KOH), excellent cycling stability with capacitance retention of 100% over 10 000 cycles, and promising rate performance. This work not only describes a simple way to produce high-performance carbon electrode materials for practical application, but also inspires an idea for future structure design of porous carbon.

Polycrystalline silicon ion sensitive field effect transistors

NASA Astrophysics Data System (ADS)

Yan, F.; Estrela, P.; Mo, Y.; Migliorato, P.; Maeda, H.; Inoue, S.; Shimoda, T.

2005-01-01

We report the operation of polycrystalline silicon ion sensitive field effect transistors. These devices can be fabricated on inexpensive disposable substrates such as glass or plastics and are, therefore, promising candidates for low cost single-use intelligent multisensors. In this work we have developed an extended gate structure with a Si3N4 sensing layer. Nearly ideal pH sensitivity (54mV /pH) and stable operation have been achieved. Temperature effects have been characterized. A penicillin sensor has been fabricated by functionalizing the sensing area with penicillinase. The sensitivity to penicillin G is about 10mV/mM, in solutions with concentration lower than the saturation value, which is about 7 mM.

PECTUS CARINATUM: A NOVEL METHOD OF STERNAL FIXATION.

PubMed

Taha, Assad; Sfeir, Pierre; Al-Taki, Muhyeddine

2016-01-01

The traditional method for fixing the sternum during surgical repair of pectus carinatum is through the use of a stainless steel bar (Adkin’s strut). In this article we describe a new method of sternal fixation using nonabsorbable sutures which are placed in a transverse and crossed fashion anterior to the sternum. This method provides stable sternal fixation and spares the patient a second operation to remove the steel bar. The absence of metallic implants allows clearer view of the thoracic structures in future X-rays, CT scans and MRI, and is likely to be more acceptable to patients than the implantation of a metallic strut in their chest. In addition, it is less costly.

Umatilla River Subbasin Fish Habitat Improvement Program, 1996-2003 Summary Report.

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

St. Hilaire, Danny R.; Montgomery, Michael; Bailey, Timothy D.

This annual report is in fulfillment of contractual obligations with Bonneville Power Administration (BPA), which is the funding source for the Oregon Department of Fish and Wildlife's (ODFW), Umatilla River Subbasin Fish Habitat Improvement Program (Program). The last Annual Program Report was submitted in 1997, and described projects undertaken in 1995. This report describes Program activities carried out in 2003, along with a summary of projects undertaken during the years 1996 through 2002. The Program works cooperatively with private landowners to develop long-term restoration agreements, under which, passive and active Habitat Improvement Projects are conducted. Historically, projects have included livestockmore » exclusion fencing (passive restoration) to protect riparian habitats, along with the installation of instream structures (active restoration) to address erosion and improve fish habitat. In recent years, the focus of active restoration has shifted to bioengineering treatments and, more recently, to channel re-design and re-construction aimed at improving fish habitat, by restoring stable channel function. This report provides a summary table of past projects (1996-2002), along with a text description of more extensive habitat improvement projects, including: (1) Implementation of a four-phased project on the Lobato property (Birch Creek) beginning in 1996 and involving a demonstration bioengineering site and riparian improvements (fencing, planting), (2) Implementation of stable channel design/instream structure placement on the Houser property, East Birch Creek, beginning in 1998, an (3) Implementation of a joint, US Army Corps of Engineers/ODFW (cost share) project beginning in 2001 on the Brogoitti property, East Birch Creek, which involved implementation of stable channel design/construction and riparian improvement treatments.« less

With string model to time series forecasting

NASA Astrophysics Data System (ADS)

Pinčák, Richard; Bartoš, Erik

2015-10-01

Overwhelming majority of econometric models applied on a long term basis in the financial forex market do not work sufficiently well. The reason is that transaction costs and arbitrage opportunity are not included, as this does not simulate the real financial markets. Analyses are not conducted on the non equidistant date but rather on the aggregate date, which is also not a real financial case. In this paper, we would like to show a new way how to analyze and, moreover, forecast financial market. We utilize the projections of the real exchange rate dynamics onto the string-like topology in the OANDA market. The latter approach allows us to build the stable prediction models in trading in the financial forex market. The real application of the multi-string structures is provided to demonstrate our ideas for the solution of the problem of the robust portfolio selection. The comparison with the trend following strategies was performed, the stability of the algorithm on the transaction costs for long trade periods was confirmed.

Innovative and Highly Productive Joining Technologies for Multi-Material Lightweight Car Body Structures

NASA Astrophysics Data System (ADS)

Meschut, G.; Janzen, V.; Olfermann, T.

2014-05-01

Driven by increasing costs for energy and raw material and especially by the European CO2-emission laws, automotive industry faces the challenge to develop more lightweight and at the same time still rigid and crash-stable car bodies, that are affordable for large-scale production. The implementation of weight-reduced constructions depends not only on the availability of lightweight materials and related forming technologies, but also on cost-efficient and reliable joining technologies suitable for multi-material design. This article discusses the challenges and requirements for these technologies, based on the example of joining aluminium with press-hardened boron steels, what is considered as a very important material combination for affordable future lightweight mobility. Besides a presentation of recent developments for extending the process limits of conventional mechanical joining methods, new promising technologies such as resistance element welding are introduced. In addition, the performance, advantages, and disadvantages of the presented technologies are compared and discussed.

Semiconductive Copper(I)-Organic Frameworks for Efficient Light-Driven Hydrogen Generation Without Additional Photosensitizers and Cocatalysts.

PubMed

Shi, Dongying; Zheng, Rui; Sun, Ming-Jun; Cao, Xinrui; Sun, Chun-Xiao; Cui, Chao-Jie; Liu, Chun-Sen; Zhao, Junwei; Du, Miao

2017-11-13

As the first example of a photocatalytic system for splitting water without additional cocatalysts and photosensitizers, the comparatively cost-effective Cu 2 I 2 -based MOF, Cu-I-bpy (bpy=4,4'-bipyridine) exhibited highly efficient photocatalytic hydrogen production (7.09 mmol g -1  h -1 ). Density functional theory (DFT) calculations established the electronic structures of Cu-I-bpy with a narrow band gap of 2.05 eV, indicating its semiconductive behavior, which is consistent with the experimental value of 2.00 eV. The proposed mechanism demonstrates that Cu 2 I 2 clusters of Cu-I-bpy serve as photoelectron generators to accelerate the copper(I) hydride interaction, providing redox reaction sites for hydrogen evolution. The highly stable cocatalyst-free and self-sensitized Cu-I-bpy provides new insights into the future design of cost-effective d 10 -based MOFs for highly efficient and long-term solar fuels production. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sex-oriented stable matchings of the marriage problem with correlated and incomplete information

NASA Astrophysics Data System (ADS)

Caldarelli, Guido; Capocci, Andrea; Laureti, Paolo

2001-10-01

In the stable marriage problem two sets of agents must be paired according to mutual preferences, which may happen to conflict. We present two generalizations of its sex-oriented version, aiming to take into account correlations between the preferences of agents and costly information. Their effects are investigated both numerically and analytically.

Efficacy and longevity of the newly developed catnip oil microcapsules against stable fly oviposition larval growth

USDA-ARS?s Scientific Manuscript database

The stable fly, Stomoxys calcitrans (Diptera: Muscidae), is one of the most important pests of cattle and costs U.S. cattle producers billions of dollars in losses annually. In this study, the efficacy of catnip oil encapsulated in gelatin in oviposition deterrence and larval growth inhibition in st...

Spherical Primary Optical Telescope (SPOT): An Architecture Demonstration for Cost-effective Large Space Telescopes

NASA Technical Reports Server (NTRS)

Feinberg, Lee D.; Hagopian, John; Budinoff, Jason; Dean, Bruce; Howard, Joe

2004-01-01

This paper summarizes efforts underway at the Goddard Space Flight Center to demonstrate a new type of space telescope architecture that builds on the rigid segmented telescope heritage of the James Webb Space Telescope but that solves several key challenges for future space telescopes. The architecture is based on a cost-effective segmented spherical primary mirror combined with a unique wavefront sensing and control system that allows for continuous phasing of the primary mirror. The segmented spherical primary allows for cost-effective 3-meter class (e.g., Midex and Discovery) missions as well as enables 30-meter telescope solutions that can be manufactured in a reasonable amount of time and for a reasonable amount of money. The continuous wavefront sensing and control architecture enables missions in low-earth-orbit and missions that do not require expensive stable structures and thermal control systems. For the 30-meter class applications, the paper discusses considerations for assembling and testing the telescopes in space. The paper also summarizes the scientific and technological roadmap for the architecture and also gives an overview of technology development, design studies, and testbed activities underway to demonstrate its feasibility.

Spherical Primary Optical Telescope (SPOT): An Architecture Demonstration for Cost-effective Large Space Telescopes

NASA Technical Reports Server (NTRS)

Feinberg, Lee; Hagopian, John; Budinoff, Jason; Dean, Bruce; Howard, Joe

2005-01-01

This paper summarizes efforts underway at the Goddard Space Flight Center to demonstrate a new type of space telescope architecture that builds on the rigid, segmented telescope heritage of the James Webb Space Telescope but that solves several key challenges for future space telescopes. The architecture is based on a cost-effective segmented spherical primary mirror combined with a unique wavefront sensing and control system that allows for continuous phasing of the primary mirror. The segmented spherical primary allows for cost-effective 3-meter class (eg, Midex and Discovery) missions as well as enables 30-meter telescope solutions that can be manufactured in a reasonable amount of time and for a reasonable amount of money. The continuous wavefront sensing and control architecture enables missions in low-earth-orbit and missions that do not require expensive stable structures and thermal control systems. For the 30-meter class applications, the paper discusses considerations for assembling and testing the telescopes in space. The paper also summarizes the scientific and technological roadmap for the architecture and also gives an overview of technology development, design studies, and testbed activities underway to demonstrate it s feasibility.

Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide Used for Stable Inorganic Perovskite Solar Cells.

PubMed

Marronnier, Arthur; Roma, Guido; Boyer-Richard, Soline; Pedesseau, Laurent; Jancu, Jean-Marc; Bonnassieux, Yvan; Katan, Claudine; Stoumpos, Constantinos C; Kanatzidis, Mercouri G; Even, Jacky

2018-04-24

Hybrid organic-inorganic perovskites emerged as a new generation of absorber materials for high-efficiency low-cost solar cells in 2009. Very recently, fully inorganic perovskite quantum dots also led to promising efficiencies, making them a potentially stable and efficient alternative to their hybrid cousins. Currently, the record efficiency is obtained with CsPbI 3 , whose crystallographical characterization is still limited. Here, we show through high-resolution in situ synchrotron XRD measurements that CsPbI 3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Our analysis of the structural phase transitions reveals a highly anisotropic evolution of the individual lattice parameters versus temperature. Structural, vibrational, and electronic properties of all the experimentally observed black phases are further inspected based on several theoretical approaches. Whereas the black γ-phase is shown to behave harmonically around equilibrium, for the tetragonal phase, density functional theory reveals the same anharmonic behavior, with a Brillouin zone-centered double-well instability, as for the cubic phase. Using total energy and vibrational entropy calculations, we highlight the competition between all the low-temperature phases of CsPbI 3 (γ, δ, β) and show that avoiding the order-disorder entropy term arising from double-well instabilities is key to preventing the formation of the yellow perovskitoid phase. A symmetry-based tight-binding model, validated by self-consistent GW calculations including spin-orbit coupling, affords further insight into their electronic properties, with evidence of Rashba effect for both cubic and tetragonal phases when using the symmetry-breaking structures obtained through frozen phonon calculations.

High-Performance Pyrochlore-Type Yttrium Ruthenate Electrocatalyst for Oxygen Evolution Reaction in Acidic Media

DOE PAGES

Kim, Jaemin; Shih, Pei-Chieh; Tsao, Kai-Chieh; ...

2017-07-27

Development of acid-stable electrocatalysts with low overpotential for oxygen evolution reaction (OER) is a major challenge to produce hydrogen directly from water. We report in this paper a pyrochlore yttrium ruthenate (Y 2Ru 2O 7-δ) electrocatalyst that has significantly enhanced performance toward OER in acid media over the best-known catalysts, with an onset overpotential of 190 mV and high stability in 0.1 M perchloric acid solution. X-ray absorption near-edge structure (XANES) indicates Y 2Ru 2O 7-δ electrocatalyst had a low valence state that favors the high OER activity. Density functional theory (DFT) calculation shows this pyrochlore has lower band centermore » energy for the overlap between Ru 4d and O 2p orbitals and is therefore more stable Ru–O bond than RuO 2, highlighting the effect of yttrium on the enhancement in stability. Finally, the Y 2Ru 2O 7-δ pyrochlore is also free of expensive iridium metal and thus is a cost-effective candidate for practical applications.« less

C 60 -induced Devil's Staircase transformation on a Pb/Si(111) wetting layer

DOE PAGES

Wang, Lin -Lin; Johnson, Duane D.; Tringides, Michael C.

2015-12-03

Density functional theory is used to study structural energetics of Pb vacancy cluster formation on C 60/Pb/Si(111) to explain the unusually fast and error-free transformations between the “Devil's Staircase” (DS) phases on the Pb/Si(111) wetting layer at low temperature (~110K). The formation energies of vacancy clusters are calculated in C 60/Pb/Si(111) as Pb atoms are progressively ejected from the initial dense Pb wetting layer. Vacancy clusters larger than five Pb atoms are found to be stable with seven being the most stable, while vacancy clusters smaller than five are highly unstable, which agrees well with the observed ejection rate ofmore » ~5 Pb atoms per C 60. Furthermore, the high energy cost (~0.8 eV) for the small vacancy clusters to form indicates convincingly that the unusually fast transformation observed experimentally between the DS phases, upon C 60 adsorption at low temperature, cannot be the result of single-atom random walk diffusion but of correlated multi-atom processes.« less

High-Performance Pyrochlore-Type Yttrium Ruthenate Electrocatalyst for Oxygen Evolution Reaction in Acidic Media

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

Kim, Jaemin; Shih, Pei-Chieh; Tsao, Kai-Chieh

Development of acid-stable electrocatalysts with low overpotential for oxygen evolution reaction (OER) is a major challenge for the production of hydrogen directly from water. We report in this paper a pyrochlore yttrium ruthenate (Y2Ru2O7-δ) electrocatalyst that has significantly enhanced performance towards OER in acid media over the best-known catalysts, with an onset overpotential of 190 mV and high stability in 0.1-M perchloric acid solution. X-ray absorption near-edge structure (XANES) indicates Y2Ru2O7-δ electrocatalyst had a low valence state that favors the high OER activity. Density functional theory (DFT) calculation shows this pyrochlore has lower band center energy for the overlap betweenmore » Ru 4d and O 2p orbitals and therefore more stable Ru-O bond than RuO2, highlighting the effect of yttrium on the enhancement in stability. The Y2Ru2O7-δ pyrochlore is also free of expensive iridium metal, thus a cost-effective candidate for practical applications.« less

High-Performance Pyrochlore-Type Yttrium Ruthenate Electrocatalyst for Oxygen Evolution Reaction in Acidic Media

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

Kim, Jaemin; Shih, Pei-Chieh; Tsao, Kai-Chieh

Development of acid-stable electrocatalysts with low overpotential for oxygen evolution reaction (OER) is a major challenge to produce hydrogen directly from water. We report in this paper a pyrochlore yttrium ruthenate (Y 2Ru 2O 7-δ) electrocatalyst that has significantly enhanced performance toward OER in acid media over the best-known catalysts, with an onset overpotential of 190 mV and high stability in 0.1 M perchloric acid solution. X-ray absorption near-edge structure (XANES) indicates Y 2Ru 2O 7-δ electrocatalyst had a low valence state that favors the high OER activity. Density functional theory (DFT) calculation shows this pyrochlore has lower band centermore » energy for the overlap between Ru 4d and O 2p orbitals and is therefore more stable Ru–O bond than RuO 2, highlighting the effect of yttrium on the enhancement in stability. Finally, the Y 2Ru 2O 7-δ pyrochlore is also free of expensive iridium metal and thus is a cost-effective candidate for practical applications.« less

On Proportionate and Truthful International Alliance Contributions: An Analysis of IncentiveCompatible Cost Sharing Mechanisms to Burden Sharing

DTIC Science & Technology

2017-03-23

Therefore, the mecha- nism induces a stable cost sharing scheme wherein a subset of colluding players will not all benefit . In a subset of colluding...goods are not divisible and are not excludable. Cost sharing mechanisms specific to public goods have been researched extensively in the literature...Jackson & Moulin [1992] consider the sharing of cost for an indivisible public project among many players, and their work was extended by Bag [1997] to

Dimensionally stable composite structures and composite mirrors for spaceborne optical instruments

NASA Astrophysics Data System (ADS)

Sippel, Rudolf; Stute, Thomas; Erdl, Günther

2018-04-01

This paper, "Dimensionally stable composite structures and composite mirrors for spaceborne optical instruments," was presented as part of International Conference on Space Optics—ICSO 1997, held in Toulouse, France.

Structure and properties of fullerene molecular crystals with linear-scaling van der Waals density functional theory

NASA Astrophysics Data System (ADS)

Mostofi, Arash; Andrinopoulos, Lampros; Hine, Nicholas

2014-03-01

Fullerene molecular crystals are of technological promise for their use in heterojunction photovoltaic cells. An improved theoretical understanding of their structure and properties would be a step towards the rational design of new devices. Simulations based on density-functional theory (DFT) are invaluable for developing such insight, but standard semi-local functionals do not capture the important inter-molecular van der Waals (vdW) interactions in fullerene crystals. Furthermore the computational cost associated with the large unit cells needed are at the limit or beyond the capabilities of traditional DFT methods. In this work we overcome these limitations by using our implementation of a number of vdW-DFs in the ONETEP linear-scaling DFT code to study the structural properties of C60 molecular crystals. Powder neutron diffraction shows that the low-temperature Pa-3 phase is orientationally ordered with individual C60 units rotated around the [111] direction. We fully explore the energy landscape associated with the rotation angle and find two stable structures that are energetically very close, one of which corresponds to the experimentally observed structure. We further consider the effect of orientational disorder in very large supercells of thousands of atoms.

Corrugated grating on organic multilayer Bragg reflector

NASA Astrophysics Data System (ADS)

Jaquet, Sylvain; Scharf, Toralf; Herzig, Hans Peter

2007-08-01

Polymeric multilayer Bragg structures are combined with diffractive gratings to produce artificial visual color effects. A particular effect is expected due to the angular reflection dependence of the multilayer Bragg structure and the dispersion caused by the grating. The combined effects can also be used to design particular filter functions and various resonant structures. The multilayer Bragg structure is fabricated by spin-coating of two different low-cost polymer materials in solution on a cleaned glass substrate. These polymers have a refractive index difference of about 0.15 and permit multilayer coatings without interlayer problems. Master gratings of different periods are realized by laser beam interference and replicated gratings are superimposed on the multilayer structure by soft embossing in a UV curing glue. The fabrication process requires only polymer materials. The obtained devices are stable and robust. Angular dependent reflection spectrums for the visible are measured. These results show that it is possible to obtain unexpected reflection effects. A rich variety of color spectra can be generated, which is not possible with a single grating. This can be explained by the coupling of transmission of grating orders and the Bragg reflection band. A simple model permits to explain some of the spectral vs angular dependence of reflected light.

Flutter Analysis for Turbomachinery Using Volterra Series

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Yao, Weigang

2014-01-01

The objective of this paper is to describe an accurate and efficient reduced order modeling method for aeroelastic (AE) analysis and for determining the flutter boundary. Without losing accuracy, we develop a reduced order model based on the Volterra series to achieve significant savings in computational cost. The aerodynamic force is provided by a high-fidelity solution from the Reynolds-averaged Navier-Stokes (RANS) equations; the structural mode shapes are determined from the finite element analysis. The fluid-structure coupling is then modeled by the state-space formulation with the structural displacement as input and the aerodynamic force as output, which in turn acts as an external force to the aeroelastic displacement equation for providing the structural deformation. NASA's rotor 67 blade is used to study its aeroelastic characteristics under the designated operating condition. First, the CFD results are validated against measured data available for the steady state condition. Then, the accuracy of the developed reduced order model is compared with the full-order solutions. Finally the aeroelastic solutions of the blade are computed and a flutter boundary is identified, suggesting that the rotor, with the material property chosen for the study, is structurally stable at the operating condition, free of encountering flutter.

Control of nonlinear flexible space structures

NASA Astrophysics Data System (ADS)

Shi, Jianjun

With the advances made in computer technology and efficiency of numerical algorithms over last decade, the MPC strategies have become quite popular among control community. However, application of MPC or GPC to flexible space structure control has not been explored adequately in the literature. The work presented in this thesis primarily focuses on application of GPC to control of nonlinear flexible space structures. This thesis is particularly devoted to the development of various approximate dynamic models, design and assessment of candidate controllers, and extensive numerical simulations for a realistic multibody flexible spacecraft, namely, Jupiter Icy Moons Orbiter (JIMO)---a Prometheus class of spacecraft proposed by NASA for deep space exploratory missions. A stable GPC algorithm is developed for Multi-Input-Multi-Output (MIMO) systems. An end-point weighting (penalty) is used in the GPC cost function to guarantee the nominal stability of the closed-loop system. A method is given to compute the desired end-point state from the desired output trajectory. The methodologies based on Fake Algebraic Riccati Equation (FARE) and constrained nonlinear optimization, are developed for synthesis of state weighting matrix. This makes this formulation more practical. A stable reconfigurable GPC architecture is presented and its effectiveness is demonstrated on both aircraft as well as spacecraft model. A representative in-orbit maneuver is used for assessing the performance of various control strategies using various design models. Different approximate dynamic models used for analysis include linear single body flexible structure, nonlinear single body flexible structure, and nonlinear multibody flexible structure. The control laws evaluated include traditional GPC, feedback linearization-based GPC (FLGPC), reconfigurable GPC, and nonlinear dissipative control. These various control schemes are evaluated for robust stability and robust performance in the presence of parametric uncertainties and input disturbances. Finally, the conclusions are made with regard to the efficacy of these controllers and potential directions for future research.

Production, Characterization, and Flocculation Mechanism of Cation Independent, pH Tolerant, and Thermally Stable Bioflocculant from Enterobacter sp. ETH-2

PubMed Central

Tang, Wei; Song, Liyan; Li, Dou; Qiao, Jing; Zhao, Tiantao; Zhao, Heping

2014-01-01

Synthetic high polymer flocculants, frequently utilized for flocculating efficiency and low cost, recently have been discovered as producing increased risk to human health and the environment. Development of a more efficient and environmentally sound alternative flocculant agent is investigated in this paper. Bioflocculants are produced by microorganisms and may exhibit a high rate of flocculation activity. The bioflocculant ETH-2, with high flocculating activity (2849 mg Kaolin particle/mg ETH-2), produced by strain Enterobacter sp. isolated from activated sludge, was systematically investigated with regard to its production, characterization, and flocculation mechanism. Analyses of microscopic observation, zeta potential and ETH-2 structure demonstrates the bridging mechanism, as opposed to charge neutralization, was responsible for flocculation of the ETH-2. ETH-2 retains high molecular weight (603 to 1820 kDa) and multi-functional groups (hydroxyl, amide and carboxyl) that contributed to flocculation. Polysaccharides mainly composed of mannose, glucose, and galactose, with a molar ratio of 1∶2.9∶9.8 were identified as the active constituents in bioflocculant. The structure of the long backbone with active sites of polysaccharides was determined as a primary basis for the high flocculation activity. Bioflocculant ETH-2 is cation independent, pH tolerant, and thermally stable, suggesting a potential fit for industrial application. PMID:25485629

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

Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

The effect of double steps heat treatment on the microstructure of nanostructure bainitic medium carbon steels

NASA Astrophysics Data System (ADS)

Foughani, Milad; Kolahi, Alireza; Palizdar, Yahya

2018-01-01

Nowadays, Nano structure bainitic steel have attracted attention mostly because of its special mechanical properties such as high tensile strength, hardness, appropriate toughness and low manufacturing cost. The main concern for the mass production of this type of steels is prolong austempering process which increases the production costs as well as time. In this research, in order to accelerate the bainitic transformation and decrease the production time, a medium carbon steel has been prepared and two steps austempering process was employed to prevent the bainite laths thickening. The Samples were austenetized at 1000°C for 15 min and were kept in the salt bath between 1 - 12 hours at 290°C in one step and between 1 - 12 hours at the temperature range of 250°C - 300°C in two steps bainite transformation. The obtained micro structures were studied by the optical and scanning electron microscopy (FESEM) and the mechanical properties were investigated by using tensile and hardness tests. The results show that the two steps austempering process and lower carbon concentration lead to lower austempering time as well as the formation of more stable retained austenite and nanostructured bainite lath which results in higher mechanical properties.

A Map/INS/Wi-Fi Integrated System for Indoor Location-Based Service Applications

PubMed Central

Yu, Chunyang; Lan, Haiyu; Gu, Fuqiang; Yu, Fei; El-Sheimy, Naser

2017-01-01

In this research, a new Map/INS/Wi-Fi integrated system for indoor location-based service (LBS) applications based on a cascaded Particle/Kalman filter framework structure is proposed. Two-dimension indoor map information, together with measurements from an inertial measurement unit (IMU) and Received Signal Strength Indicator (RSSI) value, are integrated for estimating positioning information. The main challenge of this research is how to make effective use of various measurements that complement each other in order to obtain an accurate, continuous, and low-cost position solution without increasing the computational burden of the system. Therefore, to eliminate the cumulative drift caused by low-cost IMU sensor errors, the ubiquitous Wi-Fi signal and non-holonomic constraints are rationally used to correct the IMU-derived navigation solution through the extended Kalman Filter (EKF). Moreover, the map-aiding method and map-matching method are innovatively combined to constrain the primary Wi-Fi/IMU-derived position through an Auxiliary Value Particle Filter (AVPF). Different sources of information are incorporated through a cascaded structure EKF/AVPF filter algorithm. Indoor tests show that the proposed method can effectively reduce the accumulation of positioning errors of a stand-alone Inertial Navigation System (INS), and provide a stable, continuous and reliable indoor location service. PMID:28574471

A Map/INS/Wi-Fi Integrated System for Indoor Location-Based Service Applications.

PubMed

Yu, Chunyang; Lan, Haiyu; Gu, Fuqiang; Yu, Fei; El-Sheimy, Naser

2017-06-02

In this research, a new Map/INS/Wi-Fi integrated system for indoor location-based service (LBS) applications based on a cascaded Particle/Kalman filter framework structure is proposed. Two-dimension indoor map information, together with measurements from an inertial measurement unit (IMU) and Received Signal Strength Indicator (RSSI) value, are integrated for estimating positioning information. The main challenge of this research is how to make effective use of various measurements that complement each other in order to obtain an accurate, continuous, and low-cost position solution without increasing the computational burden of the system. Therefore, to eliminate the cumulative drift caused by low-cost IMU sensor errors, the ubiquitous Wi-Fi signal and non-holonomic constraints are rationally used to correct the IMU-derived navigation solution through the extended Kalman Filter (EKF). Moreover, the map-aiding method and map-matching method are innovatively combined to constrain the primary Wi-Fi/IMU-derived position through an Auxiliary Value Particle Filter (AVPF). Different sources of information are incorporated through a cascaded structure EKF/AVPF filter algorithm. Indoor tests show that the proposed method can effectively reduce the accumulation of positioning errors of a stand-alone Inertial Navigation System (INS), and provide a stable, continuous and reliable indoor location service.

Using CeSiC for UV spectrographs for the WSO/UV

NASA Astrophysics Data System (ADS)

Reutlinger, A.; Gál, C.; Brandt, C.; Haberler, P.; Zuknik, K.-H.; Sedlmaier, T.; Shustov, B.; Sachkov, M.; Moisheev, A.; Kappelmann, N.; Barnstedt, J.; Werner, K.

2017-11-01

The World Space Observatory Ultraviolet (WSO/UV) is a multi-national project lead by the Russian Federal Space Agency (Roscosmos) with the objective of high performance observations in the ultraviolet range. The 1.7 m WSO/UV telescope feeds UV spectrometers and UV imagers. The UV spectrometers comprise two high resolution Echelle spectrographs for the 100 - 170 nm and 170 - 300 nm wavelength range and a long slit spectrograph for the 100 - 300 nm band. All three spectrometers represent individual instruments that are assembled and aligned separately. In order to save mass while maintaining high stiffness, the instruments are combined to a monoblock. Cesic has been selected to reduce CTE related distortions of the instruments. In contrast to aluminium, the stable structure of Cesic is significantly less sensitive to thermal gradients. No further mechanism for focus correction with high functional, technical and operational complexity and dedicated System costs are necessary. Using Cesic also relaxes the thermal control requirements of +/-5°C, which represents a considerable cost driver for the S/C design. The WUVS instrument is currently studied in the context of a phase B2 study by Kayser-Threde GmbH including a Structural Thermal Model (STM) for verification of thermal and mechanical loads, stability due to thermal distortions and Cesic manufacturing feasibility.

The effect of travel loss on evolutionarily stable distributions of populations in space

USGS Publications Warehouse

DeAngelis, D.L.; Wolkowicz, G.S.K.; Lou, Y.; Jiang, Y.; Novak, M.; Svanback, R.; Araujo, M.S.; Jo, Y.S.; Cleary, E.A.

2011-01-01

A key assumption of the ideal free distribution (IFD) is that there are no costs in moving between habitat patches. However, because many populations exhibit more or less continuous population movement between patches and traveling cost is a frequent factor, it is important to determine the effects of costs on expected population movement patterns and spatial distributions. We consider a food chain (tritrophic or bitrophic) in which one species moves between patches, with energy cost or mortality risk in movement. In the two-patch case, assuming forced movement in one direction, an evolutionarily stable strategy requires bidirectional movement, even if costs during movement are high. In the N-patch case, assuming that at least one patch is linked bidirectionally to all other patches, optimal movement rates can lead to source-sink dynamics where patches with negative growth rates are maintained by other patches with positive growth rates. As well, dispersal between patches is not balanced (even in the two-patch case), leading to a deviation from the IFD. Our results indicate that cost-associated forced movement can have important consequences for spatial metapopulation dynamics. Relevance to marine reserve design and the study of stream communities subject to drift is discussed. ?? 2011 by The University of Chicago.

Cost-effectiveness of oral cholera vaccine in a stable refugee population at risk for epidemic cholera and in a population with endemic cholera.

PubMed Central

Murray, J.; McFarland, D. A.; Waldman, R. J.

1998-01-01

Recent large epidemics of cholera with high incidence and associated mortality among refugees have raised the question of whether oral cholera vaccines should be considered as an additional preventive measure in high-risk populations. The potential impact of oral cholera vaccines on populations prone to seasonal endemic cholera has also been questioned. This article reviews the potential cost-effectiveness of B-subunit, killed whole-cell (BS-WC) oral cholera vaccine in a stable refugee population and in a population with endemic cholera. In the population at risk for endemic cholera, mass vaccination with BS-WC vaccine is the least cost-effective intervention compared with the provision of safe drinking-water and sanitation or with treatment of the disease. In a refugee population at risk for epidemic disease, the cost-effectiveness of vaccination is similar to that of providing safe drinking-water and sanitation alone, though less cost-effective than treatment alone or treatment combined with the provision of water and sanitation. The implications of these data for public health decision-makers and programme managers are discussed. There is a need for better information on the feasibility and costs of administering oral cholera vaccine in refugee populations and populations with endemic cholera. PMID:9803585

Stability and electronic properties of low-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Guan, Jie

As the devices used in daily life become smaller and more concentrated, traditional three-dimensional (3D) bulk materials have reached their limit in size. Low-dimensional nanomaterials have been attracting more attention in research and getting widely applied in many industrial fields because of their atomic-level size, unique advanced properties, and varied nanostructures. In this thesis, I have studied the stability and mechanical and electronic properties of zero-dimensional (0D) structures including carbon fullerenes, nanotori, metallofullerenes and phosphorus fullerenes, one-dimensional (1D) structures including carbon nanotubes and phosphorus nanotubes, as well as two-dimensional (2D) structures including layered transition metal dichalcogenides (TMDs), phosphorene and phosphorus carbide (PC). I first briefly introduce the scientific background and the motivation of all the work in this thesis. Then the computational techniques, mainly density functional theory (DFT), are reviewed in Chapter 2. In Chapter 3, I investigate the stability and electronic structure of endohedral rare-earth metallofullerene La C60 and the trifluoromethylized La C60(CF3)n with n ≤ 5. Odd n is preferred due to the closed-shell electronic configuration or large HOMO-LUMO gap, which is also meaningful for the separation of C 60-based metallofullerenes. Mechanical and electronic properties of layered materials including TMDs and black phosphorus are studied in Chapter 4 and 5. In Chapter 4, a metallic NbSe2/semiconducting WSe2 bilayer is investigated and besides a rigid band shift associated with charge transfer, the presence of NbSe2 does not modify the electronic structure of WSe2. Structural similarity and small lattice mismatch results in the heterojunction being capable of efficiently transferring charge acrossthe interface. In Chapter 5, I investigate the dependence of stability and electronic band structure on the in-layer strain in bulk black phosphorus. In Chapters 6, 7 and 8, novel 2D structures are predicted theoretically. In Chapter 6, I propose two new stable structural phases of layered phosphorus besides the layered alpha-P (black) and beta-P (blue) phosphorus allotropes. A metal-insulator transition caused by inlayer strain or changing the number of layers is found in the new gamma-P phase. An unforeseen benefit is the possibility to connect different structural phases at no energy cost, which further leads to a paradigm of constructing very stable, faceted phosphorus nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases, which is discussed in Chapter 7. In Chapter 8, I propose previously unknown allotropes of PC in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding found in black P, display different electronic properties including metallic, semi-metallic with an anisotropic Dirac cone, and direct-gap semiconductors with their gap tunable by in-layer strain. In Chapter 9, I propose a fast method to determine the local curvature in 2D systems with arbitrary shape. The curvature information, combined with elastic constants obtained for a planar system, provides an accurate estimate of the local stability in the framework of continuum elasticity theory. This approach can be applied to all 2D structures. Finally, I present general conclusions from the PhD Thesis work in Chapter 10.

Fighting obesity with a sugar-based library: discovery of novel MCH-1R antagonists by a new computational-VAST approach for exploration of GPCR binding sites.

PubMed

Heifetz, Alexander; Barker, Oliver; Verquin, Geraldine; Wimmer, Norbert; Meutermans, Wim; Pal, Sandeep; Law, Richard J; Whittaker, Mark

2013-05-24

Obesity is an increasingly common disease. While antagonism of the melanin-concentrating hormone-1 receptor (MCH-1R) has been widely reported as a promising therapeutic avenue for obesity treatment, no MCH-1R antagonists have reached the market. Discovery and optimization of new chemical matter targeting MCH-1R is hindered by reduced HTS success rates and a lack of structural information about the MCH-1R binding site. X-ray crystallography and NMR, the major experimental sources of structural information, are very slow processes for membrane proteins and are not currently feasible for every GPCR or GPCR-ligand complex. This situation significantly limits the ability of these methods to impact the drug discovery process for GPCR targets in "real-time", and hence, there is an urgent need for other practical and cost-efficient alternatives. We present here a conceptually pioneering approach that integrates GPCR modeling with design, synthesis, and screening of a diverse library of sugar-based compounds from the VAST technology (versatile assembly on stable templates) to provide structural insights on the MCH-1R binding site. This approach creates a cost-efficient new avenue for structure-based drug discovery (SBDD) against GPCR targets. In our work, a primary VAST hit was used to construct a high-quality MCH-1R model. Following model validation, a structure-based virtual screen yielded a 14% hit rate and 10 novel chemotypes of potent MCH-1R antagonists, including EOAI3367472 (IC50 = 131 nM) and EOAI3367474 (IC50 = 213 nM).

Fiber-Optic Temperature Sensor Using a Thin-Film Fabry-Perot Interferometer

NASA Technical Reports Server (NTRS)

Beheim, Glenn

1997-01-01

A fiber-optic temperature sensor was developed that is rugged, compact, stable, and can be inexpensively fabricated. This thin-film interferometric temperature sensor was shown to be capable of providing a +/- 2 C accuracy over the range of -55 to 275 C, throughout a 5000 hr operating life. A temperature-sensitive thin-film Fabry-Perot interferometer can be deposited directly onto the end of a multimode optical fiber. This batch-fabricatable sensor can be manufactured at a much lower cost than can a presently available sensor, which requires the mechanical attachment of a Fabry-Perot interferometer to a fiber. The principal disadvantage of the thin-film sensor is its inherent instability, due to the low processing temperatures that must be used to prevent degradation of the optical fiber's buffer coating. The design of the stable thin-film temperature sensor considered the potential sources of both short and long term drifts. The temperature- sensitive Fabry-Perot interferometer was a silicon film with a thickness of approx. 2 microns. A laser-annealing process was developed which crystallized the silicon film without damaging the optical fiber. The silicon film was encapsulated with a thin layer of Si3N4 over coated with aluminum. Crystallization of the silicon and its encapsulation with a highly stable, impermeable thin-film structure were essential steps in producing a sensor with the required long-term stability.

Cauliflower-like SnO2 hollow microspheres as anode and carbon fiber as cathode for high performance quantum dot and dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Ganapathy, Veerappan; Kong, Eui-Hyun; Park, Yoon-Cheol; Jang, Hyun Myung; Rhee, Shi-Woo

2014-02-01

Cauliflower-like tin oxide (SnO2) hollow microspheres (HMS) sensitized with multilayer quantum dots (QDs) as photoanode and alternative stable, low-cost counter electrode are employed for the first time in QD-sensitized solar cells (QDSCs). Cauliflower-like SnO2 hollow spheres mainly consist of 50 nm-sized agglomerated nanoparticles; they possess a high internal surface area and light scattering in between the microspheres and shell layers. This makes them promising photoanode material for both QDSCs and dye-sensitized solar cells (DSCs). Successive ionic layer adsorption and reaction (SILAR) method and chemical bath deposition (CBD) are used for QD-sensitizing the SnO2 microspheres. Additionally, carbon-nanofiber (CNF) with a unique structure is used as an alternative counter electrode (CE) and compared with the standard platinum (Pt) CE. Their electrocatalytic properties are measured using electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and Tafel-polarization. Under 1 sun illumination, solar cells made with hollow SnO2 photoanode sandwiched with the stable CNF CE showed a power conversion efficiency of 2.5% in QDSCs and 3.0% for DSCs, which is quite promising with the standard Pt CE (QDSCs: 2.1%, and DSCs: 3.6%).Cauliflower-like tin oxide (SnO2) hollow microspheres (HMS) sensitized with multilayer quantum dots (QDs) as photoanode and alternative stable, low-cost counter electrode are employed for the first time in QD-sensitized solar cells (QDSCs). Cauliflower-like SnO2 hollow spheres mainly consist of 50 nm-sized agglomerated nanoparticles; they possess a high internal surface area and light scattering in between the microspheres and shell layers. This makes them promising photoanode material for both QDSCs and dye-sensitized solar cells (DSCs). Successive ionic layer adsorption and reaction (SILAR) method and chemical bath deposition (CBD) are used for QD-sensitizing the SnO2 microspheres. Additionally, carbon-nanofiber (CNF) with a unique structure is used as an alternative counter electrode (CE) and compared with the standard platinum (Pt) CE. Their electrocatalytic properties are measured using electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and Tafel-polarization. Under 1 sun illumination, solar cells made with hollow SnO2 photoanode sandwiched with the stable CNF CE showed a power conversion efficiency of 2.5% in QDSCs and 3.0% for DSCs, which is quite promising with the standard Pt CE (QDSCs: 2.1%, and DSCs: 3.6%). Electronic supplementary information (ESI) available: Experimental details, XRD, SEM-EDS, UV-vis spectra and photovoltaic parameters of devices. See DOI: 10.1039/c3nr05705d

New Convex and Spherical Structures of Bare Boron Clusters

NASA Astrophysics Data System (ADS)

Boustani, Ihsan

1997-10-01

New stable structures of bare boron clusters can easily be obtained and constructed with the help of an "Aufbau Principle" suggested by a systematicab initioHF-SCF and direct CI study. It is concluded that boron cluster formation can be established by elemental units of pentagonal and hexagonal pyramids. New convex and small spherical clusters different from the classical known forms of boron crystal structures are obtained by a combination of both basic units. Convex structures simulate boron surfaces which can be considered as segments of open or closed spheres. Both convex clusters B16and B46have energies close to those of their conjugate quasi-planar clusters, which are relatively stable and can be considered to act as a calibration mark. The closed spherical clusters B12, B22, B32, and B42are less stable than the corresponding conjugated quasi-planar structures. As a consequence, highly stable spherical boron clusters can systematically be predicted when their conjugate quasi-planar clusters are determined and energies are compared.

Cost-effectiveness of targeted screening for abdominal aortic aneurysm. Monte Carlo-based estimates.

PubMed

Pentikäinen, T J; Sipilä, T; Rissanen, P; Soisalon-Soininen, S; Salo, J

2000-01-01

This article reports a cost-effectiveness analysis of targeted screening for abdominal aortic aneurysm (AAA). A major emphasis was on the estimation of distributions of costs and effectiveness. We performed a Monte Carlo simulation using C programming language in a PC environment. Data on survival and costs, and a majority of screening probabilities, were from our own empirical studies. Natural history data were based on the literature. Each screened male gained 0.07 life-years at an incremental cost of FIM 3,300. The expected values differed from zero very significantly. For females, expected gains were 0.02 life-years at an incremental cost of FIM 1,100, which was not statistically significant. Cost-effectiveness ratios and their 95% confidence intervals were FIM 48,000 (27,000-121,000) and 54,000 (22,000-infinity) for males and females, respectively. Sensitivity analysis revealed that the results for males were stable. Individual variation in life-year gains was high. Males seemed to benefit from targeted AAA screening, and the results were stable. As far as the cost-effectiveness ratio is considered acceptable, screening for males seemed to be justified. However, our assumptions about growth and rupture behavior of AAAs might be improved with further clinical and epidemiological studies. As a point estimate, females benefited in a similar manner, but the results were not statistically significant. The evidence of this study did not justify screening of females.

Materials and structures

NASA Astrophysics Data System (ADS)

Saito, Theodore T.; Langenbeck, Sharon L.; Al-Jamily, Ghanim; Arnold, Joe; Barbee, Troy; Coulter, Dan; Dolgin, Ben; Fichter, Buck; George, Patricia; Gorenstein, Paul

1992-08-01

Materials and structures technology covers a wide range of technical areas. Some of the most pertinent issues for the Astrotech 21 missions include dimensionally stable structural materials, advanced composites, dielectric coatings, optical metallic coatings for low scattered light applications, low scattered light surfaces, deployable and inflatable structures (including optical), support structures in 0-g and 1-g environments, cryogenic optics, optical blacks, contamination hardened surfaces, radiation hardened glasses and crystals, mono-metallic telescopes and instruments, and materials characterization. Some specific examples include low coefficients of thermal expansion (CTE) structures (0.01 ppm/K), lightweight thermally stable mirror materials, thermally stable optical assemblies, high reliability/accuracy (1 micron) deployable structures, and characterization of nanometer level behavior of materials/structures for interferometry concepts. Large filled-aperture concepts will require materials with CTE's of 10(exp 9) at 80 K, anti-contamination coatings, deployable and erectable structures, composite materials with CTE's less than 0.01 ppm/K and thermal hysteresis, 0.001 ppm/K. Gravitational detection systems such as LAGOS will require rigid/deployable structures, dimensionally stable components, lightweight materials with low conductivity, and high stability optics. The Materials and Structures panel addressed these issues and the relevance of the Astrotech 21 mission requirements by dividing materials and structures technology into five categories. These categories, the necessary development, and applicable mission/program development phasing are summarized. For each of these areas, technology assessments were made and development plans were defined.

CESIC: a new technology for lightweight and cost effective space instrument structures and mirrors

NASA Astrophysics Data System (ADS)

Devilliers, Christophe; Kroedel, Matthias R.

2005-08-01

For some years Alcatel Space has been interested in the development of a new material to produce lightweight, stiff, stable and cost effective structures and mirrors for space instrument. Cesic from ECM has been selected for its intrinsic properties (high specific modulus, high conductivity, quite low thermal expansion coefficient and high fracture toughness for a ceramic material), added to ample manufacturing capabilities. Under ESA responsibility, a flight representative optical bench of Cesic has been designed, manufactured and tested. The optical bench has been submitted with success to intensive vibration tests up to 80 g on shaker without problem and was tested down to 30 K showing very high stability. Cesic is also envisaged for large and lightweight space telescope mirrors. Coatings on the Cesic substrate have been developed and qualified for the most stringent optical needs. To prove the lightweight capability, a large Cesic mirror D=950 mm with an area mass of less than 25 kg/m2 has been designed, sized again launch loads and WFE performance, and then manufactured. Cesic is also envisaged for large future focal plane holding a large number of detectors assuring high stability thanks to its high thermal conductivity. A full size Cesic focal plane has been already successfully built and tested. Based on these successful results, Alcatel Space is now in position to propose for space projects this technology mastered in common with ECM both for mirrors and structures with new innovative concepts thanks to the manufacturing capabilities of this technology.

Patterned Liquid Metal Contacts for Printed Carbon Nanotube Transistors.

PubMed

Andrews, Joseph B; Mondal, Kunal; Neumann, Taylor V; Cardenas, Jorge A; Wang, Justin; Parekh, Dishit P; Lin, Yiliang; Ballentine, Peter; Dickey, Michael D; Franklin, Aaron D

2018-05-14

Flexible and stretchable electronics are poised to enable many applications that cannot be realized with traditional, rigid devices. One of the most promising options for low-cost stretchable transistors are printed carbon nanotubes (CNTs). However, a major limiting factor in stretchable CNT devices is the lack of a stable and versatile contact material that forms both the interconnects and contact electrodes. In this work, we introduce the use of eutectic gallium-indium (EGaIn) liquid metal for electrical contacts to printed CNT channels. We analyze thin-film transistors (TFTs) fabricated using two different liquid metal deposition techniques-vacuum-filling polydimethylsiloxane (PDMS) microchannel structures and direct-writing liquid metals on the CNTs. The highest performing CNT-TFT was realized using vacuum-filled microchannel deposition with an in situ annealing temperature of 150 °C. This device exhibited an on/off ratio of more than 10 4 and on-currents as high as 150 μA/mm-metrics that are on par with other printed CNT-TFTs. Additionally, we observed that at room temperature the contact resistances of the vacuum-filled microchannel structures were 50% lower than those of the direct-write structures, likely due to the poor adhesion between the materials observed during the direct-writing process. The insights gained in this study show that stretchable electronics can be realized using low-cost and solely solution processing techniques. Furthermore, we demonstrate methods that can be used to electrically characterize semiconducting materials as transistors without requiring elevated temperatures or cleanroom processes.

Self-Assembled Carbon-Polyoxometalate Composites for Electrochemical Capacitors

NASA Astrophysics Data System (ADS)

Genovese, Matthew

The development of high performance yet cost effective energy storage devices is critical for enabling the growth of important emerging sectors from the internet of things to grid integration of renewable energy. Material costs are by far the largest contributor to the overall cost of energy storage devices and thus research into cost effective energy storage materials will play an important role in developing technology to meet real world storage demands. In this thesis, low cost high performance composite electrode materials for supercapacitors (SCs) have been developed through the surface modification of electrochemically double layer capacitive (EDLC) carbon substrates with pseudocapacitive Polyoxometalates (POMs). Significant fundamental contributions have been made to the understanding of all components of the composite electrode including the POM active layer, cation linker, and carbon substrate. The interaction of different POM chemistries in solution has been studied to elucidate the novel ways in which these molecules combine and the mechanism underlying this combination. A more thorough understanding regarding the cation linker's role in electrode fabrication has been developed through examining the linker properties which most strongly affect electrode performance. The development of porosity in biomass derived carbon materials has also been examined leading to important insights regarding the effect of substrate porosity on POM modification and electrochemical properties. These fundamental contributions enabled the design and performance optimization of POM-carbon composite SC electrodes. Understanding how POMs combine in solution, allowed for the development of mixed POM molecular coatings with tunable electrochemical properties. These molecular coatings were used to modify low cost biomass derived carbon substrates that had been structurally optimized to accommodate POM molecules. The resulting electrode composites utilizing low cost materials fabricated through simple scalable techniques demonstrated (i) high capacitance (361 F g-1), (ii) close to ideal pseudocapacitive behavior, (iii) stable cycling, and (iv) good rate performance.

Assessment of potential factors associating with costs of hospitalizing cardiovascular diseases in 141 hospitals in Guangxi, China

PubMed Central

Zhou, Li-fang; Zhang, Mao-xin; Kong, Ling-qian; Liu, Jun-jun; Feng, Qi-ming; Lu, Wei; Wei, Bo; Zhao, Lue Ping

2017-01-01

Background The rising cost of healthcare is of great concern in China, as evidenced by the media features negative reports almost daily. However there are only a few studies from well-developed cities, like Beijing or Shanghai, and little is known about healthcare costs in rest of the country. In this study, we use hospitalization summary reports (HSRs) from admitted cardiovascular diseases patients in Guangxi hospitals during 2013–2016, and we investigate temporal trends of healthcare costs and associated factors. Methods By generalized additive model, we compute temporal trends of cost per stay (CPS), cost per day (CPD) and others. We then use generalized linear models to assess which factors associate with CPS and CPD. Findings Using a total of 760,000 HSRs, we find that CPS appears to be stabilized around $1040 until the middle of year 2015, before exhibiting a downward trend. Similarly, CPD exhibits similar stable pattern. Meanwhile, surgery-specific CPS showed an increase in year 2013–2014, and then stabilized. Drug costs account for over 1/3 of CPS, but they are gradually declining. Costs associated with physicians’ and nurses’ services represent less than 5% of CPS. We found that age, sex, marital status, occupation and payment methods are significantly associated with CPS or CPD. Interestingly, we found no association between patient ethnicity and these costs. However, we did find that minority patients use more secondary hospitals than Han patients. Interpretations Healthcare costs in Guangxi are stable, contrary to the rise portrayed by Chinese mass media. Several factors can be associated with healthcare costs, and these may be useful for developing evidence-based policies. In particular, there is a need to encourage more Han patients to seek care in primary and secondary hospitals. PMID:28301501

The cost-effectiveness of domiciliary non-invasive ventilation in patients with end-stage chronic obstructive pulmonary disease: a systematic review and economic evaluation.

PubMed

Dretzke, Janine; Blissett, Deirdre; Dave, Chirag; Mukherjee, Rahul; Price, Malcolm; Bayliss, Sue; Wu, Xiaoying; Jordan, Rachel; Jowett, Sue; Turner, Alice M; Moore, David

2015-10-01

Chronic obstructive pulmonary disease (COPD) is a chronic progressive lung disease characterised by non-reversible airflow obstruction. Exacerbations are a key cause of morbidity and mortality and place a considerable burden on health-care systems. While there is evidence that patients benefit from non-invasive ventilation (NIV) in hospital during an acute exacerbation, evidence supporting home use for more stable COPD patients is limited. In the U.K., domiciliary NIV is considered on health economic grounds in patients after three hospital admissions for acute hypercapnic respiratory failure. To assess the clinical effectiveness and cost-effectiveness of domiciliary NIV by systematic review and economic evaluation. Bibliographic databases, conference proceedings and ongoing trial registries up to September 2014. Standard systematic review methods were used for identifying relevant clinical effectiveness and cost-effectiveness studies assessing NIV compared with usual care or comparing different types of NIV. Risk of bias was assessed using Cochrane guidelines and relevant economic checklists. Results for primary effectiveness outcomes (mortality, hospitalisations, exacerbations and quality of life) were presented, where possible, in forest plots. A speculative Markov decision model was developed to compare the cost-effectiveness of domiciliary NIV with usual care from a UK perspective for post-hospital and more stable populations separately. Thirty-one controlled effectiveness studies were identified, which report a variety of outcomes. For stable patients, a modest volume of evidence found no benefit from domiciliary NIV for survival and some non-significant beneficial trends for hospitalisations and quality of life. For post-hospital patients, no benefit from NIV could be shown in terms of survival (from randomised controlled trials) and findings for hospital admissions were inconsistent and based on limited evidence. No conclusions could be drawn regarding potential benefit from different types of NIV. No cost-effectiveness studies of domiciliary NIV were identified. Economic modelling suggested that NIV may be cost-effective in a stable population at a threshold of £30,000 per quality-adjusted life-year (QALY) gained (incremental cost-effectiveness ratio £28,162), but this is associated with uncertainty. In the case of the post-hospital population, results for three separate base cases ranged from usual care dominating to NIV being cost-effective, with an incremental cost-effectiveness ratio of less than £10,000 per QALY gained. All estimates were sensitive to effectiveness estimates, length of benefit from NIV (currently unknown) and some costs. Modelling suggested that reductions in the rate of hospital admissions per patient per year of 24% and 15% in the stable and post-hospital populations, respectively, are required for NIV to be cost-effective. Evidence on key clinical outcomes remains limited, particularly quality-of-life and long-term (> 2 years) effects. Economic modelling should be viewed as speculative because of uncertainty around effect estimates, baseline risks, length of benefit of NIV and limited quality-of-life/utility data. The cost-effectiveness of domiciliary NIV remains uncertain and the findings in this report are sensitive to emergent data. Further evidence is required to identify patients most likely to benefit from domiciliary NIV and to establish optimum time points for starting NIV and equipment settings. The results from this report will need to be re-examined in the light of any new trial results, particularly in terms of reducing the uncertainty in the economic model. Any new randomised controlled trials should consider including a sham non-invasive ventilation arm and/or a higher- and lower-pressure arm. Individual participant data analyses may help to determine whether or not there are any patient characteristics or equipment settings that are predictive of a benefit of NIV and to establish optimum time points for starting (and potentially discounting) NIV. This study is registered as PROSPERO CRD42012003286. The National Institute for Health Research Health Technology Assessment programme.

Cost and quality trends in direct contracting arrangements.

PubMed

Lyles, Alan; Weiner, Jonathan P; Shore, Andrew D; Christianson, Jon; Solberg, Leif I; Drury, Patricia

2002-01-01

This paper presents the first empirical analysis of a 1997 initiative of the Buyers Health Care Action Group (BHCAG) known as Choice Plus. This initiative entailed direct contracts with provider-controlled delivery systems; annual care system bidding; public reports of consumer satisfaction and quality; uniform benefits; and risk-adjusted payment. After case-mix adjustment, hospital costs decreased, ambulatory care costs rose modestly, and pharmacy costs increased substantially. Process-oriented quality indicators were stable or improved. The BHCAG employer-to-provider direct contracting and consumer choice model appeared to perform reasonably well in containing costs, without measurable adverse effects on quality.

Anode-Free Rechargeable Lithium Metal Batteries

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

Qian, Jiangfeng; Adams, Brian D.; Zheng, Jianming

2016-08-18

Anode-free rechargeable lithium (Li) batteries (AFLBs) are phenomenal energy storage systems due to their significantly increased energy density and reduced cost relative to Li-ion batteries, as well as ease of assembly owing to the absence of an active (reactive) anode material. However, significant challenges, including Li dendrite growth and low cycling Coulombic efficiency (CE), have prevented their practical implementation. Here, we report for the first time an anode-free rechargeable lithium battery based on a Cu||LiFePO4 cell structure with an extremely high CE (> 99.8%). This results from the utilization of both an exceptionally stable electrolyte and optimized charge/discharge protocols whichmore » minimize the corrosion of the in-situ formed Li metal anode.« less

A review on proniosomal drug delivery system for targeted drug action.

PubMed

Radha, G V; Rani, T Sudha; Sarvani, B

2013-03-01

Proniosomes are dry formulation of water soluble carrier particles that are coated with surfactant. They are rehydrated to form niosomal dispersion immediately before use on agitation in hot aqueous media within minutes. Proniosomes are physically stable during the storage and transport. Drug encapsulated in the vesicular structure of proniosomes prolong the existence of drug in the systematic circulation and enhances the penetration into target tissue and reduce toxicity. From a technical point of view, niosomes are promising drug carriers as they possess greater chemical stability and lack of many disadvantages associated with liposomes, such as high- cost and variable purity problems of phospholipids. The present review emphasizes on overall methods of preparation characterization and applicability of proniosomes in targeted drug action.

Predicting the stability of ternary intermetallics with density functional theory and machine learning

NASA Astrophysics Data System (ADS)

Schmidt, Jonathan; Chen, Liming; Botti, Silvana; Marques, Miguel A. L.

2018-06-01

We use a combination of machine learning techniques and high-throughput density-functional theory calculations to explore ternary compounds with the AB2C2 composition. We chose the two most common intermetallic prototypes for this composition, namely, the tI10-CeAl2Ga2 and the tP10-FeMo2B2 structures. Our results suggest that there may be ˜10 times more stable compounds in these phases than previously known. These are mostly metallic and non-magnetic. While the use of machine learning reduces the overall calculation cost by around 75%, some limitations of its predictive power still exist, in particular, for compounds involving the second-row of the periodic table or magnetic elements.

High-precision control of LSRM based X-Y table for industrial applications.

PubMed

Pan, J F; Cheung, Norbert C; Zou, Yu

2013-01-01

The design of an X-Y table applying direct-drive linear switched reluctance motor (LSRM) principle is proposed in this paper. The proposed X-Y table has the characteristics of low cost, simple and stable mechanical structure. After the design procedure is introduced, an adaptive position control method based on online parameter identification and pole-placement regulation scheme is developed for the X-Y table. Experimental results prove the feasibility and its priority over a traditional PID controller with better dynamic response, static performance and robustness to disturbances. It is expected that the novel two-dimensional direct-drive system find its applications in high-precision manufacture area. Copyright © 2012 ISA. Published by Elsevier Ltd. All rights reserved.

17 CFR 270.30b1-6T - Weekly portfolio report for certain money market funds.

Code of Federal Regulations, 2011 CFR

2011-04-01

...; (I) The amortized cost value; and (J) In the case of a tax-exempt security, whether there is a demand... the fund's stable net asset value per share or stable price per share pursuant to § 270.2a-7(c)(1...) Market-based NAV means a money market fund's net asset value per share calculated using available market...

Platelet lysate-based pro-angiogenic nanocoatings.

PubMed

Oliveira, Sara M; Pirraco, Rogério P; Marques, Alexandra P; Santo, Vítor E; Gomes, Manuela E; Reis, Rui L; Mano, João F

2016-03-01

Human platelet lysate (PL) is a cost-effective and human source of autologous multiple and potent pro-angiogenic factors, such as vascular endothelial growth factor A (VEGF A), fibroblast growth factor b (FGF b) and angiopoietin-1. Nanocoatings previously characterized were prepared by layer-by-layer assembling incorporating PL with marine-origin polysaccharides and were shown to activate human umbilical vein endothelial cells (HUVECs). Within 20 h of incubation, the more sulfated coatings induced the HUVECS to the form tube-like structures accompanied by an increased expression of angiogenic-associated genes, such as angiopoietin-1 and VEGF A. This may be a cost-effective approach to modify 2D/3D constructs to instruct angiogenic cells towards the formation of neo-vascularization, driven by multiple and synergistic stimulations from the PL combined with sulfated polysaccharides. The presence, or fast induction, of a stable and mature vasculature inside 3D constructs is crucial for new tissue formation and its viability. This has been one of the major tissue engineering challenges, limiting the dimensions of efficient tissue constructs. Many approaches based on cells, growth factors, 3D bioprinting and channel incorporation have been proposed. Herein, we explored a versatile technique, layer-by-layer assembling in combination with platelet lysate (PL), that is a cost-effective source of many potent pro-angiogenic proteins and growth factors. Results suggest that the combination of PL with sulfated polyelectrolytes might be used to introduce interfaces onto 2D/3D constructs with potential to induce the formation of cell-based tubular structures. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Energetic costs and implications of the intake of plant secondary metabolites on digestive and renal morphology in two austral passerines.

PubMed

Barceló, Gonzalo; Ríos, Juan Manuel; Maldonado, Karin; Sabat, Pablo

2016-07-01

Seed-eating birds have a diet of high nutritional value; however, they must cope with plant secondary metabolites (PSM). We postulated that the detoxification capacity of birds is associated with a metabolic cost, given that the organs responsible for detoxification significantly contribute to energetic metabolism. We used an experimental approach to assess the effects of phenol-enriched diets on two passerines with different feeding habits: the omnivorous rufous-collared sparrow (Zonotrichia capensis) and the granivorous common diuca-finch (Diuca diuca). The birds were fed with one of three diets: control diet, supplemented with tannic acid, or supplemented with Opuntia ficus-indica phenolic extract (a common food of the sparrow but not the finch). After 5 weeks of exposure to the diets, we measured basal metabolic rates (BMR), energy intake, glucuronic acid output and digestive and kidney structure. In both species, detoxification capacity expressed as glucuronic acid output was higher in individuals consuming phenol-enriched diets compared to the control diet. However, whereas sparrows increase energy intake and intestinal mass when feeding on phenol-enriched diets, finches had lower intestinal mass and energy intake remains stable. Furthermore, sparrows had higher BMR on phenol-enriched diets compared to the control group, whereas in the finches BMR remains unchanged. Interspecific differences in response to phenols intake may be determined by the dietary habits of these species. While both species can feed on moderate phenolic diets for 5 weeks, energy costs may differ due to different responses in food intake and organ structure to counteract the effects of PSM intake.

Simple Multi-level Microchannel Fabrication by Pseudo-Grayscale Backside Diffused Light Lithography.

PubMed

Lai, David; Labuz, Joseph M; Kim, Jiwon; Luker, Gary D; Shikanov, Ariella; Takayama, Shuichi

2013-11-14

Photolithography of multi-level channel features in microfluidics is laborious and/or costly. Grayscale photolithography is mostly used with positive photoresists and conventional front side exposure, but the grayscale masks needed are generally costly and positive photoresists are not commonly used in microfluidic rapid prototyping. Here we introduce a simple and inexpensive alternative that uses pseudo-grayscale (pGS) photomasks in combination with backside diffused light lithography (BDLL) and the commonly used negative photoresist, SU-8. BDLL can produce smooth multi-level channels of gradually changing heights without use of true grayscale masks because of the use of diffused light. Since the exposure is done through a glass slide, the photoresist is cross-linked from the substrate side up enabling well-defined and stable structures to be fabricated from even unspun photoresist layers. In addition to providing unique structures and capabilities, the method is compatible with the "garage microfluidics" concept of creating useful tools at low cost since pGS BDLL can be performed with the use of only hot plates and a UV transilluminator: equipment commonly found in biology labs. Expensive spin coaters or collimated UV aligners are not needed. To demonstrate the applicability of pGS BDLL, a variety of weir-type cell traps were constructed with a single UV exposure to separate cancer cells (MDA-MB-231, 10-15 μm in size) from red blood cells (RBCs, 2-8 μm in size) as well as follicle clusters (40-50 μm in size) from cancer cells (MDA-MB-231, 10-15 μm in size).

Structural, stability, and vibrational properties of BinPm clusters

NASA Astrophysics Data System (ADS)

Shen, Wanting; Han, Lihong; Liang, Dan; Zhang, Chunfang; Ruge, Quhe; Wang, Shumin; Lu, Pengfei

2018-04-01

An in-depth investigation is performed on stability mechanisms, electronic and optical properties of III-V semiconductor vapor phases clusters. First principles electronic structure calculations of CAM-B3LYP are performed on neutral BinPm (n + m ≤ 14) clusters. The geometrical evolution of all stable structures remains amorphous as the clusters size increases. Binding energies (BEs), energy gains and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO-LUMO) gaps confirm that all four-atom structures of BinPm clusters have more stable optical properties. Orbitals composition and vibrational spectra of stable clusters are analyzed. Our calculations will contribute to the study of diluted bismuth alloys and compounds.

Experimental investigation of broadband energy harvesting of a bi-stable composite piezoelectric plate

NASA Astrophysics Data System (ADS)

Pan, Diankun; Ma, Benbiao; Dai, Fuhong

2017-03-01

In this work, a bi-stable vibration energy harvester is presented to scavenge energy from ambient vibrations over a wide frequency range. This bi-stable harvester consists of a bi-stable hybrid composite plate as host structure and several pieces of piezoelectric ceramics. Three linear harvesters with the same geometry were employed as the control samples to illustrate the advantages of this bi-stable harvester. The voltage-frequency responses were measured with different g-level excitations, and the output powers across various resistances were measured at different frequencies and accelerations. Unlike the linear harvesters which are effective only near their natural frequencies, the obvious nonlinearities of this bi-stable harvester broaden its working bandwidth. Additionally, the characteristics of this bi-stable host structure contribute to the output power. Under the same condition, when this bi-stable harvester is under cross-well oscillation pattern the maximum output powers are several times higher than those of the linear harvesters. The measured highest output power of this bi-stable harvester is 36.2 mW with 38 Hz frequency and 5g acceleration (g = 9.8 m s-2).

Pectin, Hemicellulose, or Lignin? Impact of the Biowaste Source on the Performance of Hard Carbons for Sodium-Ion Batteries.

PubMed

Dou, Xinwei; Hasa, Ivana; Hekmatfar, Maral; Diemant, Thomas; Behm, R Jürgen; Buchholz, Daniel; Passerini, Stefano

2017-06-22

Hard carbons are currently the most widely used negative electrode materials in Na-ion batteries. This is due to their promising electrochemical performance with capacities of 200-300 mAh g -1 and stable long-term cycling. However, an abundant and cheap carbon source is necessary in order to comply with the low-cost philosophy of Na-ion technology. Many biological or waste materials have been used to synthesize hard carbons but the impact of the precursors on the final properties of the anode material is not fully understood. In this study the impact of the biomass source on the structural and electrochemical properties of hard carbons is unraveled by using different, representative types of biomass as examples. The systematic structural and electrochemical investigation of hard carbons derived from different sources-namely corncobs, peanut shells, and waste apples, which are representative of hemicellulose-, lignin- and pectin-rich biomass, respectively-enables understanding and interlinking of the structural and electrochemical properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Childhood Family Structure and Intergenerational Income Mobility in the United States.

PubMed

Bloome, Deirdre

2017-04-01

The declining prevalence of two-parent families helped increase income inequality over recent decades. Does family structure also condition how economic (dis)advantages pass from parents to children? If so, shifts in the organization of family life may contribute to enduring inequality between groups defined by childhood family structure. Using National Longitudinal Survey of Youth data, I combine parametric and nonparametric methods to reveal how family structure moderates intergenerational income mobility in the United States. I find that individuals raised outside stable two-parent homes are much more mobile than individuals from stable two-parent families. Mobility increases with the number of family transitions but does not vary with children's time spent coresiding with both parents or stepparents conditional on a transition. However, this mobility indicates insecurity, not opportunity. Difficulties maintaining middle-class incomes create downward mobility among people raised outside stable two-parent homes. Regardless of parental income, these people are relatively likely to become low-income adults, reflecting a new form of perverse equality. People raised outside stable two-parent families are also less likely to become high-income adults than people from stable two-parent homes. Mobility differences account for about one-quarter of family-structure inequalities in income at the bottom of the income distribution and more than one-third of these inequalities at the top.

On stability of the structure of implicit personality theory over situations.

PubMed

Hochwälder, J

1995-12-01

In the present study, the following (hitherto unaddressed) question was posed: "Is the structure of implicit personality theory stable over situations?". In order to answer this question, correlation coefficients were computed between different aspects of two trait-structures obtained under different situational conditions. The results seem to indicate that the structure of IPT is stable over situations. The results are discussed in the light of some methodological considerations.

Cost-effectiveness of monitoring glaucoma patients in shared care: an economic evaluation alongside a randomized controlled trial.

PubMed

Holtzer-Goor, Kim M; van Sprundel, Esther; Lemij, Hans G; Plochg, Thomas; Klazinga, Niek S; Koopmanschap, Marc A

2010-11-17

Population aging increases the number of glaucoma patients which leads to higher workloads of glaucoma specialists. If stable glaucoma patients were monitored by optometrists and ophthalmic technicians in a glaucoma follow-up unit (GFU) rather than by glaucoma specialists, the specialists' workload and waiting lists might be reduced.We compared costs and quality of care at the GFU with those of usual care by glaucoma specialists in the Rotterdam Eye Hospital (REH) in a 30-month randomized clinical trial. Because quality of care turned out to be similar, we focus here on the costs. Stable glaucoma patients were randomized between the GFU and the glaucoma specialist group. Costs per patient year were calculated from four perspectives: those of patients, the Rotterdam Eye Hospital (REH), Dutch healthcare system, and society. The outcome measures were: compliance to the protocol; patient satisfaction; stability according to the practitioner; mean difference in IOP; results of the examinations; and number of treatment changes. Baseline characteristics (such as age, intraocular pressure and target pressure) were comparable between the GFU group (n = 410) and the glaucoma specialist group (n = 405).Despite a higher number of visits per year, mean hospital costs per patient year were lower in the GFU group (€139 vs. €161). Patients' time and travel costs were similar. Healthcare costs were significantly lower for the GFU group (€230 vs. €251), as were societal costs (€310 vs. €339) (p < 0.01). Bootstrap-, sensitivity- and scenario-analyses showed that the costs were robust when varying hospital policy and the duration of visits and tests. We conclude that this GFU is cost-effective and deserves to be considered for implementation in other hospitals.

Perceptual Learning Immediately Yields New Stable Motor Coordination

ERIC Educational Resources Information Center

Wilson, Andrew D.; Snapp-Childs, Winona; Bingham, Geoffrey P.

2010-01-01

Coordinated rhythmic movement is specifically structured in humans. Movement at 0[degrees] mean relative phase is maximally stable, 180[degrees] is less stable, and other coordinations can, but must, be learned. Variations in perceptual ability play a key role in determining the observed stabilities so we investigated whether stable movements can…

A new concept for active bistable twisting structures

NASA Astrophysics Data System (ADS)

Schultz, Marc R.

2005-05-01

A novel type of morphing structure capable of a large change in shape with a small energy input is discussed in this paper. The considered structures consist of two curved shells that are joined in a specific manner to form a bistable airfoil-like structure. The two stable shapes have a difference in axial twist, and the structure may be transformed between the stable shapes by a simple snap-through action. The benefit of a bistable structure of this type is that, if the stable shapes are operational shapes, power is needed only to transform the structure from one shape to another. The discussed structures could be used in aerodynamic applications such as morphing wings, or as aerodynamic control surfaces. The investigation discussed in this paper considers both experiment and finite-element analysis. Several graphite-epoxy composite and one steel device were created as proof-of-concept models. To demonstrate active control of these structures, piezocomposite actuators were applied to one of the composite structures and used to transform the structure between stable shapes. The analysis was used to compare the predicted shapes with the experimental shapes, and to study how changes to the geometric input values affected the shape and operational characteristics of the structures. The predicted shapes showed excellent agreement with the experimental shapes, and the results of the parametric study suggest that the shapes and the snap-through characteristics can be easily tailored to meet specific needs.

Atomic mechanism for the growth of wafer-scale single-crystal graphene: theoretical perspective and scanning tunneling microscopy investigations

NASA Astrophysics Data System (ADS)

Niu, Tianchao; Zhang, Jialin; Chen, Wei

2017-12-01

Chemical vapor deposition (CVD) is the most promising approach for producing low-cost, high-quality, and large area graphene. Revealing the graphene growth mechanism at the atomic-scale is of great importance for realizing single crystal graphene (SCG) over wafer scale. Density functional theoretical (DFT) calculations are playing an increasingly important role in revealing the structure of the most stable carbon species, understanding the evolution processes, and disclosing the active sites. Scanning tunneling microscopy (STM) is a powerful surface characterization tool to illustrate the real space distribution and atomic structures of growth intermediates during the CVD process. Combining them together can provide valuable information to improve the atomically controlled growth of SCG. Starting from a basic concept of the substrate effect on realizing SCG, this review covers the progress made in theoretical investigations on various carbon species during graphene growth on different transition metal substrates, in the STM study of the structural intermediates on transition metal surfaces, and in synthesizing graphene nanoribbons with atomic-precise width and edge structure, ending with a perspective on the future development of 2D materials beyond graphene.

Stable isotope dimethyl labelling for quantitative proteomics and beyond

PubMed Central

Hsu, Jue-Liang; Chen, Shu-Hui

2016-01-01

Stable-isotope reductive dimethylation, a cost-effective, simple, robust, reliable and easy-to- multiplex labelling method, is widely applied to quantitative proteomics using liquid chromatography-mass spectrometry. This review focuses on biological applications of stable-isotope dimethyl labelling for a large-scale comparative analysis of protein expression and post-translational modifications based on its unique properties of the labelling chemistry. Some other applications of the labelling method for sample preparation and mass spectrometry-based protein identification and characterization are also summarized. This article is part of the themed issue ‘Quantitative mass spectrometry’. PMID:27644970

Lessons learned: Infrastructure development and financial management for large, publically funded, international trials

PubMed Central

Larson, Gregg S; Carey, Cate; Grarup, Jesper; Hudson, Fleur; Sachi, Karen; Vjecha, Michael J; Gordin, Fred

2015-01-01

Background/Aims Randomized clinical trials are widely recognized as essential to address world-wide clinical and public health research questions. However, for many conditions, their size and duration can overwhelm available public and private resources. To remain competitive in international research settings, advocates and practitioners of clinical trials must implement practices that reduce their cost. We identify approaches and practices for large, publicly-funded, international trials that reduce cost without compromising data integrity, and recommend an approach to cost reporting that permits comparison of clinical trials. Methods We describe the organizational and financial characteristics of INSIGHT, an infectious disease research network that conducts multiple, large, long-term, international trials, and examine challenges associated with simple and streamlined governance and an infrastructure and financial management model that is based on performance, transparency, and accountability. Results It is possible to reduce costs of participant follow-up and not compromise clinical trial quality or integrity. The INSIGHT network has successfully completed four large HIV trials using cost-efficient practices that have not adversely affected investigator enthusiasm, accrual rates, loss-to-follow-up, adherence to the protocol, and completion of data collection. This experience is relevant to the conduct of large, publically funded trials in other disease areas, particularly trials dependent on international collaborations. Conclusion New approaches, or creative adaption of traditional clinical trial infrastructure and financial management tools, can render large, international clinical trials more cost-efficient by emphasizing structural simplicity; minimal up-front costs; payments for performance; and uniform algorithms and fees-for-service, irrespective of location. However, challenges remain. They include institutional resistance to financial change, growing trial complexity, and the difficulty of sustaining network infrastructure absent stable research work. There is also a need for more central monitoring, improved and harmonized regulations, and a widely-applied metric for measuring and comparing cost efficiency in clinical trials. ClinicalTrials.gov is recommended as a location where standardized trial cost information could be made publicly accessible. PMID:26908541

Local Nash equilibrium in social networks.

PubMed

Zhang, Yichao; Aziz-Alaoui, M A; Bertelle, Cyrille; Guan, Jihong

2014-08-29

Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.

Local Nash Equilibrium in Social Networks

PubMed Central

Zhang, Yichao; Aziz-Alaoui, M. A.; Bertelle, Cyrille; Guan, Jihong

2014-01-01

Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures. PMID:25169150

Local Nash Equilibrium in Social Networks

NASA Astrophysics Data System (ADS)

Zhang, Yichao; Aziz-Alaoui, M. A.; Bertelle, Cyrille; Guan, Jihong

2014-08-01

Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.

High pressure ices.

PubMed

Hermann, Andreas; Ashcroft, N W; Hoffmann, Roald

2012-01-17

H(2)O will be more resistant to metallization than previously thought. From computational evolutionary structure searches, we find a sequence of new stable and meta-stable structures for the ground state of ice in the 1-5 TPa (10 to 50 Mbar) regime, in the static approximation. The previously proposed Pbcm structure is superseded by a Pmc2(1) phase at p = 930 GPa, followed by a predicted transition to a P2(1) crystal structure at p = 1.3 TPa. This phase, featuring higher coordination at O and H, is stable over a wide pressure range, reaching 4.8 TPa. We analyze carefully the geometrical changes in the calculated structures, especially the buckling at the H in O-H-O motifs. All structures are insulating--chemistry burns a deep and (with pressure increase) lasting hole in the density of states near the highest occupied electronic levels of what might be component metallic lattices. Metallization of ice in our calculations occurs only near 4.8 TPa, where the metallic C2/m phase becomes most stable. In this regime, zero-point energies much larger than typical enthalpy differences suggest possible melting of the H sublattice, or even the entire crystal.

A Low-Cost and High-Performance Sulfonated Polyimide Proton-Conductive Membrane for Vanadium Redox Flow/Static Batteries.

PubMed

Li, Jinchao; Yuan, Xiaodong; Liu, Suqin; He, Zhen; Zhou, Zhi; Li, Aikui

2017-09-27

A novel side-chain-type fluorinated sulfonated polyimide (s-FSPI) membrane is synthesized for vanadium redox batteries (VRBs) by high-temperature polycondensation and grafting reactions. The s-FSPI membrane has a vanadium ion permeability that is over an order of magnitude lower and has a proton selectivity that is 6.8 times higher compared to those of the Nafion 115 membrane. The s-FSPI membrane possesses superior chemical stability compared to most of the linear sulfonated aromatic polymer membranes reported for VRBs. Also, the vanadium redox flow/static batteries (VRFB/VRSB) assembled with the s-FSPI membranes exhibit stable battery performance over 100- and 300-time charge-discharge cycling tests, respectively, with significantly higher battery efficiencies and lower self-discharge rates than those with the Nafion 115 membranes. The excellent physicochemical properties and VRB performance of the s-FSPI membrane could be attributed to the specifically designed molecular structure with the hydrophobic trifluoromethyl groups and flexible sulfoalkyl pendants being introduced on the main chains of the membrane. Moreover, the cost of the s-FSPI membrane is only one-fourth that of the commercial Nafion 115 membrane. This work opens up new possibilities for fabricating high-performance proton-conductive membranes at low costs for VRBs.

Metal-Free Cataluminescence Gas Sensor for Hydrogen Sulfide Based on Its Catalytic Oxidation on Silicon Carbide Nanocages.

PubMed

Wu, Liqian; Zhang, Lichun; Sun, Mingxia; Liu, Rui; Yu, Lingzhu; Lv, Yi

2017-12-19

Cataluminescence- (CTL-) based sensors are among the most attractive and effective tools for gas sensing, owing to their efficient selectivity, high sensitivity, and rapidity. As the sensing materials of CTL-based sensors, metal-based catalysts easily bring about high costs and environmental pollution of heavy metals. More importantly, the long-term stability of metal-based catalysts is usually rather poor. Metal-free catalysts have unique advantages such as environmental friendliness, low costs, and long-term stability, making them promising materials for CTL-based sensors. Herein, we report the fabrication of a CTL sensor based on a metal-free catalyst. F-doped cage-like SiC was synthesized by wet chemical etching. The as-prepared products showed a rapid, stable, highly selective, and sensitive cataluminescent response to H 2 S. The stability of the sensor was demonstrated to be fairly good for at least 15 days. After CTL tests, F-doped cage-like SiC retained its original morphology, structure, and chemical composition. In addition, to the best of our knowledge, this is the first report of a metal-free CTL sensor. Metal-free catalysts are environmentally friendly and low in cost and exhibit long-term stability, which could open a new avenue of CTL sensing.

A route to possible civil engineering materials: the case of high-pressure phases of lime

NASA Astrophysics Data System (ADS)

Bouibes, A.; Zaoui, A.

2015-07-01

Lime system has a chemical composition CaO, which is known as thermodynamically stable. The purpose here is to explore further possible phases under pressure, by means of variable-composition ab initio evolutionary algorithm. The present investigation shows surprisingly new stable compounds of lime. At ambient pressure we predict, in addition to CaO, CaO2 as new thermodynamically stable compound. The latter goes through two phases transition from C2/c space group structure to Pna21 at 1.5 GPa, and Pna21 space group structure to I4/mcm at 23.4 GPa. Under increasing pressure, further compounds such as CaO3 become the most stable and stabilize in P-421m space group structure above 65 GPa. For the necessary knowledge of the new predicted compounds, we have computed their mechanical and electronic properties in order to show and to explain the main reasons leading to the structural changes.

A route to possible civil engineering materials: the case of high-pressure phases of lime.

PubMed

Bouibes, A; Zaoui, A

2015-07-23

Lime system has a chemical composition CaO, which is known as thermodynamically stable. The purpose here is to explore further possible phases under pressure, by means of variable-composition ab initio evolutionary algorithm. The present investigation shows surprisingly new stable compounds of lime. At ambient pressure we predict, in addition to CaO, CaO2 as new thermodynamically stable compound. The latter goes through two phases transition from C2/c space group structure to Pna21 at 1.5 GPa, and Pna21 space group structure to I4/mcm at 23.4 GPa. Under increasing pressure, further compounds such as CaO3 become the most stable and stabilize in P-421m space group structure above 65 GPa. For the necessary knowledge of the new predicted compounds, we have computed their mechanical and electronic properties in order to show and to explain the main reasons leading to the structural changes.

Medieval Horse Stable; The Results of Multi Proxy Interdisciplinary Research

PubMed Central

Dejmal, Miroslav; Lisá, Lenka; Fišáková Nývltová, Miriam; Bajer, Aleš; Petr, Libor; Kočár, Petr; Kočárová, Romana; Nejman, Ladislav; Rybníček, Michal; Sůvová, Zdenka; Culp, Randy; Vavrčík, Hanuš

2014-01-01

A multi proxy approach was applied in the reconstruction of the architecture of Medieval horse stable architecture, the maintenance practices associated with that structure as well as horse alimentation at the beginning of 13th century in Central Europe. Finally, an interpretation of the local vegetation structure along Morava River, Czech Republic is presented. The investigated stable experienced two construction phases. The infill was well preserved and its composition reflects maintenance practices. The uppermost part of the infill was composed of fresh stabling, which accumulated within a few months at the end of summer. Horses from different backgrounds were kept in the stable and this is reflected in the results of isotope analyses. Horses were fed meadow grasses as well as woody vegetation, millet, oat, and less commonly hemp, wheat and rye. Three possible explanations of stable usage are suggested. The stable was probably used on a temporary basis for horses of workers employed at the castle, courier horses and horses used in battle. PMID:24670874

Harvesting of Chlorella sorokiniana by co-culture with the filamentous fungus Isaria fumosorosea: A potential sustainable feedstock for hydrothermal gasification.

PubMed

Mackay, Stephen; Gomes, Eduardo; Holliger, Christof; Bauer, Rolene; Schwitzguébel, Jean-Paul

2015-06-01

Despite recent advances in down-stream processing, production of microalgae remains substantially limited because of economical reasons. Harvesting and dewatering are the most energy-intensive processing steps in their production and contribute 20-30% of total operational cost. Bio-flocculation of microalgae by co-cultivation with filamentous fungi relies on the development of large structures that facilitate cost effective harvesting. A yet unknown filamentous fungus was isolated as a contaminant from a microalgal culture and identified as Isaria fumosorosea. Blastospores production was optimized in minimal medium and the development of pellets, possibly lichens, was followed when co-cultured with Chlorella sorokiniana under strict autotrophic conditions. Stable pellets (1-2mm) formed rapidly at pH 7-8, clearing the medium of free algal cells. Biomass was harvested with large inexpensive filters, generating wet slurry suitable for hydrothermal gasification. Nutrient rich brine from the aqueous phase of hydrothermal gasification supported growth of the fungus and may increase the process sustainability. Copyright © 2015 Elsevier Ltd. All rights reserved.

Highly Efficient Photocatalytic H2 Evolution from Water using Visible Light and Structure-Controlled Graphitic Carbon Nitride**

PubMed Central

Martin, David James; Qiu, Kaipei; Shevlin, Stephen Andrew; Handoko, Albertus Denny; Chen, Xiaowei; Guo, Zhengxiao; Tang, Junwang

2014-01-01

The major challenge of photocatalytic water splitting, the prototypical reaction for the direct production of hydrogen by using solar energy, is to develop low-cost yet highly efficient and stable semiconductor photocatalysts. Herein, an effective strategy for synthesizing extremely active graphitic carbon nitride (g-C3N4) from a low-cost precursor, urea, is reported. The g-C3N4 exhibits an extraordinary hydrogen-evolution rate (ca. 20 000 μmol h−1 g−1 under full arc), which leads to a high turnover number (TON) of over 641 after 6 h. The reaction proceeds for more than 30 h without activity loss and results in an internal quantum yield of 26.5 % under visible light, which is nearly an order of magnitude higher than that observed for any other existing g-C3N4 photocatalysts. Furthermore, it was found by experimental analysis and DFT calculations that as the degree of polymerization increases and the proton concentration decreases, the hydrogen-evolution rate is significantly enhanced. PMID:25045013

Complex Particulate Biomaterials as Immunostimulant-Delivery Platforms

PubMed Central

Mamat, Uwe; Wilke, Kathleen; Villaverde, Antonio; Roher, Nerea

2016-01-01

The control of infectious diseases is a major current challenge in intensive aquaculture. Most commercial vaccines are based on live attenuated or inactivated pathogens that are usually combined with adjuvants, oil emulsions being as the most widely used for vaccination in aquaculture. Although effective, the use of these oil emulsions is plagued with important side effects. Thus, the development of alternative safer and cost-effective immunostimulants and adjuvants is highly desirable. Here we have explored the capacity of inclusion bodies produced in bacteria to immunostimulate and protect fish against bacterial infections. Bacterial inclusion bodies are highly stable, non-toxic protein-based biomaterials produced through fully scalable and low-cost bio-production processes. The present study shows that the composition and structured organization of inclusion body components (protein, lipopolysaccharide, peptidoglycan, DNA and RNA) make these protein biomaterials excellent immunomodulators able to generically protect fish against otherwise lethal bacterial challenges. The results obtained in this work provide evidence that their inherent nature makes bacterial inclusion bodies exceptionally attractive as immunostimulants and this opens the door to the future exploration of this biomaterial as an alternative adjuvant for vaccination purposes in veterinary. PMID:27716780

Nano-sized layered Mn oxides as promising and biomimetic water oxidizing catalysts for water splitting in artificial photosynthetic systems.

PubMed

Najafpour, Mohammad Mahdi; Heidari, Sima; Amini, Emad; Khatamian, Masoumeh; Carpentier, Robert; Allakhverdiev, Suleyman I

2014-04-05

One challenge in artificial photosynthetic systems is the development of artificial model compounds to oxidize water. The water-oxidizing complex of Photosystem II which is responsible for biological water oxidation contains a cluster of four Mn ions bridged by five oxygen atoms. Layered Mn oxides as efficient, stable, low cost, environmentally friendly and easy to use, synthesize, and manufacture compounds could be considered as functional and structural models for the site. Because of the related structure of these Mn oxides and the catalytic centre of the active site of the water oxidizing complex of Photosystem II, the study of layered Mn oxides may also help to understand more about the mechanism of water oxidation by the natural site. This review provides an overview of the current status of layered Mn oxides in artificial photosynthesis and discuss the sophisticated design strategies for Mn oxides as water oxidizing catalysts. Copyright © 2014 Elsevier B.V. All rights reserved.

Thermal expansion and cation partitioning of MnFe2O4 (Jacobsite) from 1.6 to 1276 K studied by using neutron powder diffraction

NASA Astrophysics Data System (ADS)

Levy, Davide; Pastero, Linda; Hoser, Andreas; Viscovo, Gabriele

2015-01-01

MnFe2O4 is a low-cost and stable magnetic spinel ferrite. In this phase, the influence of the inversion degree on the magnetic properties is still not well understood. To understand this relationship, Mn-ferrite was synthesized by a chemical co-precipitation method modified in our laboratory and studied by using the Neutron Powder Diffraction from 1.6 K to 1243 K. A full refinement of both crystal and magnetic structures was performed in order to correlate the high-temperature cation partitioning, the Curie transition and the structure changes of the Mn-ferrite. In this work three main temperature intervals are detected, characterized by different Mn-ferrite behaviors: first, ranging from 1.6 K to 573 K, where MnFe2O4 is magnetic; second, from 573 K to 623 K, where MnFe2O4 becomes paramagnetic without cation partitioning; and lastly, from 673 K to 1243 K, where cation partitioning occurs.

Energy Conversion and Utilization Technologies Program (ECUT) electrocatalysis research

NASA Technical Reports Server (NTRS)

Warren, L. F.

1984-01-01

The general field of electrocatalysis, from both the technical and business standpoints is accessed and research areas and approaches most likely to lead to substantial energy/cost savings are identified. The overall approach was to compile and evaluate available information, relying heavily on inputs/recommendations of research managers and technical personnel in responsible positions in industry and at universities. Some promising approaches identified to date include the use of transition metal compounds as electrocatalysts and the use of the new electrochemical photocapacitance spectroscopy (EPS) technique for electrocatalyst characterization/development. For the first time, an oxygen electrocatalyst based on the K2NiF4 structure was synthesized, investigated and compared with a perovskite analog. Results show that this class of materials, based on Ni(3+), forms very efficient and stable O2 anodes in basic solution and suggest that other structure-types be examined in this regard. The very difficult problem of dinitrogen and carbon dioxide electroreductions is addressed through the use of biological model systems which can mimic the enzyme processes in nature.

Nitrogen-doped carbon decorated Cu2NiSnS4 microflowers as superior anode materials for long-life lithium-ion batteries

NASA Astrophysics Data System (ADS)

Pan, Pei; Chen, Lihui; Ding, Yu; Du, Jun; Feng, Chuanqi; Fu, Zhengbin; Qin, Caiqin; Wang, Feng

2018-05-01

Nitrogen-doped carbon (NC) decorated Cu2NiSnS4 (CNTS) microflower composites (NC@CNTS) were fabricated through a facile solvothermal and pyrrole polymerization with further annealing treatment. The NC@CNTS composites possessed a three-dimension (3D) microflower-like hierarchical structure. The unique microflower structure of NC@CNTS composites exhibited remarkable electrochemical performance as electrode materials for long life lithium ion batteries. The as-prepared composites had a stable and reversible capacity that reached 943 mA h g-1 after 160 cycles at a current rate of 0.1 A g-1. It showed satisfactory cycle stability and rate capability even at 2 A g-1, and specific capacity stabilized at 288 mA g-1 after 1000 cycles. The present facile and cost-effective strategy can be applied for the synthesis of other transition metal sulfide nanomaterials for energy storage and conversion applications.

Economic evaluation of everolimus versus sorafenib for the treatment of metastatic renal cell carcinoma after failure of first-line sunitinib.

PubMed

Casciano, Roman; Chulikavit, Maruit; Di Lorenzo, Giuseppe; Liu, Zhimei; Baladi, Jean-Francois; Wang, Xufang; Robertson, Justin; Garrison, Lou

2011-01-01

A recent indirect comparison study showed that sunitinib-refractory metastatic renal cell carcinoma (mRCC) patients treated with everolimus are expected to have improved overall survival outcomes compared to patients treated with sorafenib. This analysis examines the likely cost-effectiveness of everolimus versus sorafenib in this setting from a US payer perspective. A Markov model was developed to simulate a cohort of sunitinib-refractory mRCC patients and to estimate the cost per incremental life-years gained (LYG) and quality-adjusted life-years (QALYs) gained. Markov states included are stable disease without adverse events, stable disease with adverse events, disease progression, and death. Transition probabilities were estimated using a subset of the RECORD-1 patient population receiving everolimus after sunitinib, and a comparable population receiving sorafenib in a single-arm phase II study. Costs of antitumor therapies were based on wholesale acquisition cost. Health state costs accounted for physician visits, tests, adverse events, postprogression therapy, and end-of-life care. The model extrapolated beyond the trial time horizon for up to 6 years based on published trial data. Deterministic and probabilistic sensitivity analyses were conducted. The estimated gain over sorafenib treatment was 1.273 LYs (0.916 QALYs) at an incremental cost of $81,643. The deterministic analysis resulted in an incremental cost-effectiveness ratio (ICER) of $64,155/LYG ($89,160/QALY). The probabilistic sensitivity analysis demonstrated that results were highly consistent across simulations. As the ICER fell within the cost per QALY range for many other widely used oncology medicines, everolimus is projected to be a cost-effective treatment relative to sorafenib for sunitinib-refractory mRCC. Copyright © 2011 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

Lifetime cost of everolimus vs axitinib in patients with advanced renal cell carcinoma who failed prior sunitinib therapy in the US.

PubMed

Perrin, Allison; Sherman, Steven; Pal, Sumanta; Chua, Andrew; Gorritz, Magdaliz; Liu, Zhimei; Wang, Xufang; Culver, Kenneth; Casciano, Roman; Garrison, Louis P

2015-03-01

Everolimus and axitinib are approved in the US to treat patients with advanced renal cell carcinoma (RCC) after failure on sunitinib or sorafenib, and one prior systemic therapy (e.g., sunitinib), respectively. Two indirect comparisons performed to evaluate progression-free survival in patients treated with everolimus vs axitinib suggested similar efficacy between the two treatments. Therefore, this analysis compares the lifetime costs of these two therapies among sunitinib-refractory advanced RCC patients from a US payer perspective. A Markov model was developed to simulate a cohort of sunitinib-refractory advanced RCC patients and estimate the cost of treating patients with everolimus vs axitinib. The following health states were included: stable disease without adverse events (AEs), stable disease with AEs, disease progression (PD), and death. The model included the following resources: active treatments, post-progression treatments, adverse events, physician and nurse visits, scans and tests, and palliative care. Resource utilization inputs were derived from a US claims database analysis. Additionally, a 3% annual discount rate was applied to costs, and the robustness of the model results was tested by conducting sensitivity analyses, including those on dosing scheme and post-progression treatment costs. Base case results demonstrated that patients treated with everolimus cost an average of $12,985 (11%) less over their lifetimes than patients treated with axitinib. The primary difference in costs was related to active treatment, which was largely driven by axitinib's higher dose intensity. RESULTS remained consistent across sensitivity analyses for AE and PD treatment costs, as well as dose intensity and discount rates. The results suggest that everolimus likely leads to lower lifetime costs than axitinib for sunitinib-refractory advanced RCC patients in the US.

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials.

PubMed

Ashton, Michael; Paul, Joshua; Sinnott, Susan B; Hennig, Richard G

2017-03-10

The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic clusters in a structure's unit cell, and determines their scaling with cell size. The search yielded 826 stable layered materials that are considered as candidates for the formation of two-dimensional monolayers via exfoliation. Density-functional theory was used to calculate the exfoliation energy of each material and 680 monolayers emerge with exfoliation energies below those of already-existent two-dimensional materials. The crystal structures of these two-dimensional materials provide templates for future theoretical searches of stable two-dimensional materials. The optimized structures and other calculated data for all 826 monolayers are provided at our database (https://materialsweb.org).

Free energy determinants of secondary structure formation: III. beta-turns and their role in protein folding.

PubMed

Yang, A S; Hitz, B; Honig, B

1996-06-21

The stability of beta-turns is calculated as a function of sequence and turn type with a Monte Carlo sampling technique. The conformational energy of four internal hydrogen-bonded turn types, I, I', II and II', is obtained by evaluating their gas phase energy with the CHARMM force field and accounting for solvation effects with the Finite Difference Poisson-Boltzmann (FDPB) method. All four turn types are found to be less stable than the coil state, independent of the sequence in the turn. The free-energy penalties associated with turn formation vary between 1.6 kcal/mol and 7.7 kcal/mol, depending on the sequence and turn type. Differences in turn stability arise mainly from intraresidue interactions within the two central residues of the turn. For each combination of the two central residues, except for -Gly-Gly-, the most stable beta-turn type is always found to occur most commonly in native proteins. The fact that a model based on local interactions accounts for the observed preference of specific sequences suggests that long-range tertiary interactions tend to play a secondary role in determining turn conformation. In contrast, for beta-hairpins, long-range interactions appear to dominate. Specifically, due to the right-handed twist of beta-strands, type I' turns for -Gly-Gly- are found to occur with high frequency, even when local energetics would dictate otherwise. The fact that any combination of two residues is found able to adopt a relatively low-energy turn structure explains why the amino acid sequence in turns is highly variable. The calculated free-energy cost of turn formation, when combined with related numbers obtained for alpha-helices and beta-sheets, suggests a model for the initiation of protein folding based on metastable fragments of secondary structure.

Manufacturing of mushroom-shaped structures and its hydrophobic robustness analysis based on energy minimization approach

NASA Astrophysics Data System (ADS)

Wang, Li; Yang, Xiaonan; Wang, Quandai; Yang, Zhiqiang; Duan, Hui; Lu, Bingheng

2017-07-01

The construction of stable hydrophobic surfaces has increasingly gained attention owing to its wide range of potential applications. However, these surfaces may become wet and lose their slip effect owing to insufficient hydrophobic stability. Pillars with a mushroom-shaped tip are believed to enhance hydrophobicity stability. This work presents a facile method of manufacturing mushroom-shaped structures, where, compared with the previously used method, the modulation of the cap thickness, cap diameter, and stem height of the structures is more convenient. The effects of the development time on the cap diameter and overhanging angle are investigated and well-defined mushroom-shaped structures are demonstrated. The effect of the microstructure geometry on the contact state of a droplet is predicted by taking an energy minimization approach and is experimentally validated with nonvolatile ultraviolet-curable polymer with a low surface tension by inspecting the profiles of liquid-vapor interface deformation and tracking the trace of the receding contact line after exposure to ultraviolet light. Theoretical and experimental results show that, compared with regular pillar arrays having a vertical sidewall, the mushroom-like structures can effectively enhance hydrophobic stability. The proposed manufacturing method will be useful for fabricating robust hydrophobic surfaces in a cost-effective and convenient manner.

Pressure-Induced Structural Transition and Enhancement of Energy Gap of CuAlO2

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka

2011-02-01

By using first-principles calculations, we studied the stable crystal structures and energy gaps of CuAlO2 under high pressure. Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure. The critical pressure of the transition was determined to be 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We found that a chalcopyrite structure does not appear as a stable structure under high pressure.

Efficacy, safety, and cost of pomalidomide in relapsed and refractory multiple myeloma.

PubMed

Gueneau, Pauline; Chretien, Marie-Lorraine; Cransac-Miet, Amelie; Aho, Ludwig Serge; Lafon, Ingrid; Favennec, Camille; Guy, Julien; Caillot, Denis; Boulin, Mathieu

2018-05-01

To investigate the efficacy, safety, and cost of a pomalidomide-dexamethasone regimen in patients with relapsed and refractory multiple myeloma (RRMM). All patients (n = 63) treated with pomalidomide-dexamethasone for RRMM in our university hospital between August 2013 and October 2015 were included. Pomalidomide was discontinued early due to progression (before the 4th cycle) in 17 (27%) patients. No case was discontinued for intolerance. The only independent factor that predicted early pomalidomide discontinuation was time from diagnosis to pomalidomide initiation <3 years. Overall response rate was 51% including complete response in 8%, very good partial response in 25%, and partial response in 19% patients. Thirteen (33%) patients showed stable disease. Median overall survival was 6.4 months in the 17 patients who discontinued pomalidomide early vs 26.8 months in the 14 patients with stable disease vs not achieved in the 32 responders (log-rank; P < 10 -3 ). The most common grade ≥3 adverse events were neutropenia (14%) and infections (25%). The incremental cost-effectiveness ratio of pomalidomide-dexamethasone compared with dexamethasone alone was estimated at €39 911 per life-year gained. The study demonstrated that pomalidomide-dexamethasone regimen has a long-term favorable safety-efficacy profile in RRMM patients. The survival benefit is substantial even in patients with stable disease. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Evolutionary stability of mutualism: interspecific population regulation as an evolutionarily stable strategy.

PubMed

Holland, J Nathaniel; DeAngelis, Donald L; Schultz, Stewart T

2004-09-07

Interspecific mutualisms are often vulnerable to instability because low benefit : cost ratios can rapidly lead to extinction or to the conversion of mutualism to parasite-host or predator-prey interactions. We hypothesize that the evolutionary stability of mutualism can depend on how benefits and costs to one mutualist vary with the population density of its partner, and that stability can be maintained if a mutualist can influence demographic rates and regulate the population density of its partner. We test this hypothesis in a model of mutualism with key features of senita cactus (Pachycereus schottii)-senita moth (Upiga virescens) interactions, in which benefits of pollination and costs of larval seed consumption to plant fitness depend on pollinator density. We show that plants can maximize their fitness by allocating resources to the production of excess flowers at the expense of fruit. Fruit abortion resulting from excess flower production reduces pre-adult survival of the pollinating seed-consumer, and maintains its density beneath a threshold that would destabilize the mutualism. Such a strategy of excess flower production and fruit abortion is convergent and evolutionarily stable against invasion by cheater plants that produce few flowers and abort few to no fruit. This novel mechanism of achieving evolutionarily stable mutualism, namely interspecific population regulation, is qualitatively different from other mechanisms invoking partner choice or selective rewards, and may be a general process that helps to preserve mutualistic interactions in nature.

A Study on New Composite Thermoplastic Propellant

NASA Astrophysics Data System (ADS)

Kahara, Takehiro; Nakayama, Masanobu; Hasegawa, Hiroshi; Katoh, Kazushige; Miyazaki, Shigehumi; Maruizumi, Haruki; Hori, Keiichi; Morita, Yasuhiro; Akiba, Ryojiro

Efforts have been paid to realize a new composite propellant using thermoplastics as a fuel binder and lithium as a metallic fuel. Thermoplastics binder makes it possible the storage of solid propellant in small blocks and to provide propellants blocks into rocket motor case at a quantity needed just before use, which enables the production facility of solid propellant at a minimum level, thus, production cost significantly lower. Lithium has been a candidate for a metallic fuel for the ammonium perchlorate based composite propellants owing to its capability to reduce the hydrogen chloride in the exhaust gas, however, never been used because lithium is not stable at room conditions and complex reaction products between oxygen, nitrogen, and water are formed at the surface of particles and even in the core. However, lithium particles whose surface shell structure is well controlled are rather stable and can be stored in thermoplastics for a long period. Evaluation of several organic thermoplastics whose melting temperatures are easily tractable was made from the standpoint of combustion characteristics, and it is shown that thermoplastics propellants can cover wide range of burning rate spectrum. Formation of well-defined surface shell of lithium particles and its kinetics are also discussed.

Cost-effectiveness of everolimus vs sunitinib in treating patients with advanced, progressive pancreatic neuroendocrine tumors in the United States.

PubMed

Casciano, Roman; Chulikavit, Maruit; Perrin, Allison; Liu, Zhimei; Wang, Xufang; Garrison, Louis P

2012-01-01

Everolimus (Afinitor) and sunitinib (Sutent) were recently approved to treat patients with advanced, progressive pancreatic neuroendocrine tumors (pNETs). (Afinitor is a registered trademark of Novartis Pharmaceuticals Corporation, East Hanover, NJ, USA; Sutent is a registered trademark of Pfizer Inc., New York, NY, USA.) This analysis examined the projected cost-effectiveness of everolimus vs sunitinib in this setting from a US payer perspective. A semi-Markov model was developed to simulate a cohort of patients with advanced, progressive pNET and to estimate the cost per life-year gained (LYG) and per quality-adjusted life-year (QALY) gained when treating with everolimus vs sunitinib. Efficacy data were based on a weight-adjusted indirect comparison of the agents using phase 3 trial data. Model health states included: stable disease with no adverse events, stable disease with adverse events, disease progression, and death. Therapy costs were based on wholesale acquisition cost. Other costs such as physician visits, tests, hospitalizations, and adverse event costs were obtained from literature and/or primary research. Utility inputs were based on primary research. Sensitivity analyses were conducted to test the model's robustness. In the base-case analysis, everolimus was associated with an incremental 0.448 LYG (0.304 QALYs) at an incremental cost of $12,673, resulting in an incremental cost-effectiveness ratio (ICER) of $28,281/LYG ($41,702/QALY gained). The ICER fell within the cost per QALY range for many widely used oncology drugs. Sensitivity analyses demonstrated that, overall, there is a trend that everolimus is cost-effective compared to sunitinib in this setting. Results of the indirect analysis were not statistically significant (p > 0.05). Assumptions that treatment patterns are the same across therapies may not represent real-world practice. While the analysis is limited by its reliance on an indirect comparison of two phase 3 studies, everolimus is expected to be cost-effective relative to sunitinib in advanced, progressive pNET.

Childhood Family Structure and Intergenerational Income Mobility in the United States

PubMed Central

2018-01-01

The declining prevalence of two-parent families helped increase income inequality over recent decades. Does family structure also condition how economic (dis)advantages pass from parents to children? If so, shifts in the organization of family life may contribute to enduring inequality between groups defined by childhood family structure. Using National Longitudinal Survey of Youth data, I combine parametric and nonparametric methods to reveal how family structure moderates intergenerational income mobility in the United States. I find that individuals raised outside stable two-parent homes are much more mobile than individuals from stable two-parent families. Mobility increases with the number of family transitions but does not vary with children’s time spent coresiding with both parents or stepparents conditional on a transition. However, this mobility indicates insecurity, not opportunity. Difficulties maintaining middle-class incomes create downward mobility among people raised outside stable two-parent homes. Regardless of parental income, these people are relatively likely to become low-income adults, reflecting a new form of perverse equality. People raised outside stable two-parent families are also less likely to become high-income adults than people from stable two-parent homes. Mobility differences account for about one-quarter of family-structure inequalities in income at the bottom of the income distribution and more than one-third of these inequalities at the top. PMID:28315158

Getting the Most out of Pay-Per-View: A Feasibility Study and Discussion of Mediated and Unmediated Options

ERIC Educational Resources Information Center

Hosburgh, Nathan

2012-01-01

The increasing costs of science, technology, and medical journals, combined with decreasing or stagnant budgets, have forced libraries to take a hard look at current journal subscriptions. Even when budgets remain stable or increase, they may not keep pace with the escalating costs of subscriptions from various publishers. In the face of potential…

Oil prospects attract workover dollars. [Rocky Mountains

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

Stremel, K.

1983-12-01

Anticipating stable crude oil prices and low service costs, Rocky Mountain operators plan to maintain strong workover programs next year. Deflated service costs are allowing operators to complete more workovers without appropriating more capital, and they plan to take advantage of the bargain prices available in the oilpatch. Workover activity next year will be concentrated in major oil producing basins of the Rockies.

Monovalent manganese based anodes and co-solvent electrolyte for stable low-cost high-rate sodium-ion batteries

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

Firouzi, Ali; Qiao, Ruimin; Motallebi, Shahrokh

The demand of sustainable power supply requires high-performance cost-effective energy storage technologies. Here in this paperwe report a high-rate long-life low-cost sodium-ion battery full-cell system by innovating both the anode and the electrolyte. The redox couple of manganese(I/II) in Prussian blue analogs enables a high-rate and stable anode. Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering provide direct evidence suggesting the existence of monovalent manganese in the charged anode. There is a strong hybridization between cyano ligands and manganese-3d states, which benefits the electronic property for improving rate performance. Additionally, we employ an organic-aqueous cosolvent electrolyte to solve themore » long-standing solubility issue of Prussian blue analogs. A full-cell sodium-ion battery with low-cost Prussian blue analogs in both electrodes and co-solvent electrolyte retains 95% of its initial discharge capacity after 1000 cycles at 1C and 9 5% depth of discharge. The revealed manganese(I/II) redox couple inspires conceptual innovations of batteries based on atypical oxidation states.« less

Monovalent manganese based anodes and co-solvent electrolyte for stable low-cost high-rate sodium-ion batteries

DOE PAGES

Firouzi, Ali; Qiao, Ruimin; Motallebi, Shahrokh; ...

2018-02-28

The demand of sustainable power supply requires high-performance cost-effective energy storage technologies. Here in this paperwe report a high-rate long-life low-cost sodium-ion battery full-cell system by innovating both the anode and the electrolyte. The redox couple of manganese(I/II) in Prussian blue analogs enables a high-rate and stable anode. Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering provide direct evidence suggesting the existence of monovalent manganese in the charged anode. There is a strong hybridization between cyano ligands and manganese-3d states, which benefits the electronic property for improving rate performance. Additionally, we employ an organic-aqueous cosolvent electrolyte to solve themore » long-standing solubility issue of Prussian blue analogs. A full-cell sodium-ion battery with low-cost Prussian blue analogs in both electrodes and co-solvent electrolyte retains 95% of its initial discharge capacity after 1000 cycles at 1C and 9 5% depth of discharge. The revealed manganese(I/II) redox couple inspires conceptual innovations of batteries based on atypical oxidation states.« less

A Reinvestigation of the Dimer of para-Benzoquinone with Pyrimidine with MP2, CCSD(T) and DFT using Functionals including those Designed to Describe Dispersion

PubMed Central

Marianski, Mateusz; Oliva, Antoni

2012-01-01

We reevaluate the interaction of pyridine and p-benzoquinone using functionals designed to treat dispersion. We compare the relative energies of four different structures: stacked, T-shaped (identified for the first time) and two planar H-bonded geometries using these functionals (B97-D, ωB97x-D, M05, M05-2X, M06, M06L, M06-2X), other functionals (PBE1PBE, B3LYP, X3LYP), MP2 and CCSD(T) using basis sets as large as cc-pVTZ. The functionals designed to treat dispersion behave erratically as the predictions of the most stable structure vary considerably. MP2 predicts the experimentally observed structure (H-bonded) to be the least stable, while single point CCSD(T) at the MP2 optimized geometry correctly predicts the observed structure to be most stable. We have confirmed the assignment of the experimental structure using new calculations of the vibrational frequency shifts previously used to identify the structure. The MP2/cc-pVTZ vibrational calculations are in excellent agreement with the observations. All methods used to calculate the energies provide vibrational shifts that agree with the observed structure even though most do not predict this structure to be most stable. The implications for evaluating possible π-stacking in biologically important systems are discussed. PMID:22765283

A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersion.

PubMed

Marianski, Mateusz; Oliva, Antoni; Dannenberg, J J

2012-08-02

We reevaluate the interaction of pyridine and p-benzoquinone using functionals designed to treat dispersion. We compare the relative energies of four different structures: stacked, T-shaped (identified for the first time), and two planar H-bonded geometries using these functionals (B97-D, ωB97x-D, M05, M05-2X, M06, M06L, and M06-2X), other functionals (PBE1PBE, B3LYP, X3LYP), MP2, and CCSD(T) using basis sets as large as cc-pVTZ. The functionals designed to treat dispersion behave erratically as the predictions of the most stable structure vary considerably. MP2 predicts the experimentally observed structure (H-bonded) to be the least stable, while single-point CCSD(T) at the MP2 optimized geometry correctly predicts the observed structure to be the most stable. We have confirmed the assignment of the experimental structure using new calculations of the vibrational frequency shifts previously used to identify the structure. The MP2/cc-pVTZ vibrational calculations are in excellent agreement with the observations. All methods used to calculate the energies provide vibrational shifts that agree with the observed structure even though most do not predict this structure to be most stable. The implications for evaluating possible π-stacking in biologically important systems are discussed.

Designing and Building to ``Impossible'' Tolerances for Vibration Sensitive Equipment

NASA Astrophysics Data System (ADS)

Hertlein, Bernard H.

2003-03-01

As the precision and production capabilities of modern machines and factories increase, our expectations of them rise commensurately. Facility designers and engineers find themselves increasingly involved with measurement needs and design tolerances that were almost unthinkable a few years ago. An area of expertise that demonstrates this very clearly is the field of vibration measurement and control. Magnetic Resonance Imaging, Semiconductor manufacturing, micro-machining, surgical microscopes — These are just a few examples of equipment or techniques that need an extremely stable vibration environment. The challenge to architects, engineers and contractors is to provide that level of stability without undue cost or sacrificing the aesthetics and practicality of a structure. In addition, many facilities have run out of expansion room, so the design is often hampered by the need to reuse all or part of an existing structure, or to site vibration-sensitive equipment close to an existing vibration source. High resolution measurements and nondestructive testing techniques have proven to be invaluable additions to the engineer's toolbox in meeting these challenges. The author summarizes developments in this field over the last fifteen years or so, and lists some common errors of design and construction that can cost a lot of money in retrofit if missed, but can easily be avoided with a little foresight, an appropriate testing program and a carefully thought out checklist.

Petascale self-consistent electromagnetic computations using scalable and accurate algorithms for complex structures

NASA Astrophysics Data System (ADS)

Cary, John R.; Abell, D.; Amundson, J.; Bruhwiler, D. L.; Busby, R.; Carlsson, J. A.; Dimitrov, D. A.; Kashdan, E.; Messmer, P.; Nieter, C.; Smithe, D. N.; Spentzouris, P.; Stoltz, P.; Trines, R. M.; Wang, H.; Werner, G. R.

2006-09-01

As the size and cost of particle accelerators escalate, high-performance computing plays an increasingly important role; optimization through accurate, detailed computermodeling increases performance and reduces costs. But consequently, computer simulations face enormous challenges. Early approximation methods, such as expansions in distance from the design orbit, were unable to supply detailed accurate results, such as in the computation of wake fields in complex cavities. Since the advent of message-passing supercomputers with thousands of processors, earlier approximations are no longer necessary, and it is now possible to compute wake fields, the effects of dampers, and self-consistent dynamics in cavities accurately. In this environment, the focus has shifted towards the development and implementation of algorithms that scale to large numbers of processors. So-called charge-conserving algorithms evolve the electromagnetic fields without the need for any global solves (which are difficult to scale up to many processors). Using cut-cell (or embedded) boundaries, these algorithms can simulate the fields in complex accelerator cavities with curved walls. New implicit algorithms, which are stable for any time-step, conserve charge as well, allowing faster simulation of structures with details small compared to the characteristic wavelength. These algorithmic and computational advances have been implemented in the VORPAL7 Framework, a flexible, object-oriented, massively parallel computational application that allows run-time assembly of algorithms and objects, thus composing an application on the fly.

Development of large-area monolithically integrated silicon-film photovoltaic modules

NASA Astrophysics Data System (ADS)

Rand, J. A.; Cotter, J. E.; Ingram, A. E.; Ruffins, T. R.; Shreve, K. P.; Hall, R. B.; Barnett, A. M.

1993-06-01

This report describes work to develop Silicon-Film (trademark) Product 3 into a low-cost, stable solar cell for large-scale terrestrial power applications. The Product 3 structure is a thin (less than 100 micron) polycrystalline layer of silicon on a durable, insulating, ceramic substrate. The insulating substrate allows the silicon layer to be isolated and metallized to form a monolithically interconnected array of solar cells. High efficiency is achievable with the use of light trapping and a passivated back surface. The long-term goal for the product is a 1200 sq cm, 18%-efficient, monolithic array. The short-term objectives are to improve material quality and to fabricate 100 sq cm monolithically interconnected solar cell arrays. Low minority-carrier diffusion length in the silicon film and series resistance in the interconnected device structure are presently limiting device performance. Material quality is continually improving through reduced impurity contamination. Metallization schemes, such as a solder-dipped interconnection process, have been developed that will allow low-cost production processing and minimize R(sub s) effects. Test data for a nine-cell device (16 sq cm) indicated a V(sub oc) of 3.72 V. These first-reported monolithically interconnected multicrystalline silicon-on-ceramic devices show low shunt conductance (less than 0.1 mA/sq cm) due to limited conduction through the ceramic and no process-related metallization shunts.

Reciprocating free-flow isoelectric focusing device for preparative separation of proteins.

PubMed

Kong, Fan-Zhi; Yang, Ying; Wang, Yi; Li, Guo-Qing; Li, Shan; Xiao, Hua; Fan, Liu-Yin; Liu, Shao-Rong; Cao, Cheng-Xi

2015-11-27

The traditional recycling free-flow isoelectric focusing (RFFIEF) suffered from complex structure, tedious operations and poor extensibility as well as high cost. To address these issues, a novel reciprocating free-flow isoelectric focusing device (ReFFIEF) was developed for proteins or peptides pre-fractionation. In the new device, a reciprocating background flow was for the first time introduced into free flow electrophoresis (FFE) system. The gas cushion injector (GCI) used in the previous continuous free-flow electrophoresis (CFFE) was redesigned for the reciprocating background flow. With the GCI, the reciprocating background flow could be achieved between the GCI, separation chamber and transient self-balance collector (tSBC). In a run, process fluid flowed to and from, forming a stable reciprocating fluid flow in the separation chamber. A pH gradient was created within the separation chamber, and at the same time proteins were focused repeatedly when passing through the chamber under perpendicular electric field. The ReFFIEF procedure was optimized for fractionations of three model proteins, and the optimized method was further used for pre-fractionation of model human serum samples. As compared with the traditional RFFIEF devices developed about 25 years ago, the new ReFFIEF system showed several merits, such as simple design and structure, user-friendly operation and easy to extend as well as low cost. Copyright © 2015 Elsevier B.V. All rights reserved.

A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

DTIC Science & Technology

2017-03-28

AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium-based Bulk Amorphous Alloys based on Stable Liquid -Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium-based Bulk Amorphous Alloys based on Stable Liquid -Metal...including Al, Cu, Ni, Zr, Mg, Pd, Ga , Ca. Many new Al-based amorphous alloys were found within the numerous alloy systems studied in this project, and

Calcium Stearate as an Effective Alternative to Poly(vinyl alcohol) in Poly-Lactic-co-Glycolic Acid Nanoparticles Synthesis.

PubMed

Cella, Claudia; Gerges, Irini; Milani, Paolo; Lenardi, Cristina; Argentiere, Simona

2017-02-13

Poly(d,l-lactic-co-glycolic acid) (PLGA) nanoparticles (NPs) are among the most studied systems for drug and gene targeting. So far, the synthesis of stable and uniform PLGA NPs has involved the use of a large excess of polyvinyl surfactants such as poly(vinyl alcohol) (PVA) and polyvinylpyrrolidone (PVP), whose removal requires multistep purification procedures of high ecological and economic impact. Hence the development of environment-friendly and cost-effective synthetic procedures for the synthesis of PLGA NPs would effectively boost their use in clinics. This work aims to address this issue by investigating more efficacious alternatives to the so far employed polyvinyl surfactants. More specifically, we developed an innovative synthetic process to achieve stable and uniformly distributed PLGA NPs that involves the use of calcium stearate (CSt), gaining benefits of its high biocompatibility and efficacy at low concentrations and avoiding consequently expensive purification steps. With the help of minimum quantities of polysorbate 60 and sorbitane monostearate, CSt-stabilized PLGA NPs with different sizes and structures were synthesized. The influence of CSt on the encapsulation efficiency of bioactive molecules has been also investigated. The effective encapsulation of both hydrophobic (curcumin) and hydrophilic (fibrinogen labeled with Alexa647) biomolecules into NPs was demonstrated by confocal microscopy, and their release quantified by spectrofluorimetric analyses. Finally, degradation and cytotoxicity studies showed that CSt stabilized NPs were stable under physiological conditions and with good biocompatibility, thus looking promising for further investigation as controlled release devices.

Structural, electronic, mechanical and magnetic properties of rare earth nitrides REN (RE= Pm, Eu and Yb)

NASA Astrophysics Data System (ADS)

Murugan, A.; Rajeswarapalanichamy, R.; Santhosh, M.; Iyakutti, K.

2015-07-01

The structural, electronic and mechanical properties of rare earth nitrides REN (RE=Pm, Eu and Yb) are investigated in NaCl and CsCl, and zinc blende structures using first principles calculations based on density functional theory. The calculated lattice parameters are in good agreement with the available results. Among the considered structures, these nitrides are most stable in NaCl structure. A pressure induced structural phase transition from NaCl to CsCl phase is observed in all these nitrides. The electronic structure reveals that these rare earth nitrides are half metallic at normal pressure. These nitrides are found to be covalent and ionic in the stable phase. The computed elastic constants indicate that these nitrides are mechanically stable and elastically anisotropic. Our results confirm that these nitrides are ferromagnetic in nature. A ferromagnetic to non-magnetic phase transition is observed at the pressures of 21.5 GPa and 46.1 GPa in PmN and YbN respectively.

Structural cost optimization of photovoltaic central power station modules and support structure

NASA Technical Reports Server (NTRS)

Sutton, P. D.; Stolte, W. J.; Marsh, R. O.

1979-01-01

The results of a comprehensive study of photovoltaic module structural support concepts for photovoltaic central power stations and their associated costs are presented. The objective of the study has been the identification of structural cost drivers. Parametric structural design and cost analyses of complete array systems consisting of modules, primary support structures, and foundations were performed. Area related module cost was found to be constant with design, size, and loading. A curved glass module concept was evaluated and found to have the potential to significantly reduce panel structural costs. Conclusions of the study are: array costs do not vary greatly among the designs evaluated; panel and array costs are strongly dependent on design loading; and the best support configuration is load dependent

Piecewise linear approximation for hereditary control problems

NASA Technical Reports Server (NTRS)

Propst, Georg

1987-01-01

Finite dimensional approximations are presented for linear retarded functional differential equations by use of discontinuous piecewise linear functions. The approximation scheme is applied to optimal control problems when a quadratic cost integral has to be minimized subject to the controlled retarded system. It is shown that the approximate optimal feedback operators converge to the true ones both in case the cost integral ranges over a finite time interval as well as in the case it ranges over an infinite time interval. The arguments in the latter case rely on the fact that the piecewise linear approximations to stable systems are stable in a uniform sense. This feature is established using a vector-component stability criterion in the state space R(n) x L(2) and the favorable eigenvalue behavior of the piecewise linear approximations.

An unconditionally stable staggered algorithm for transient finite element analysis of coupled thermoelastic problems

NASA Technical Reports Server (NTRS)

Farhat, C.; Park, K. C.; Dubois-Pelerin, Y.

1991-01-01

An unconditionally stable second order accurate implicit-implicit staggered procedure for the finite element solution of fully coupled thermoelasticity transient problems is proposed. The procedure is stabilized with a semi-algebraic augmentation technique. A comparative cost analysis reveals the superiority of the proposed computational strategy to other conventional staggered procedures. Numerical examples of one and two-dimensional thermomechanical coupled problems demonstrate the accuracy of the proposed numerical solution algorithm.

Kinship and familiarity mitigate costs of social conflict between Seychelles warbler neighbors

PubMed Central

Fairfield, Eleanor A.; Komdeur, Jan; Spurgin, Lewis G.; Richardson, David S.

2017-01-01

Because virtually all organisms compete with others in their social environment, mechanisms that reduce conflict between interacting individuals are crucial for the evolution of stable families, groups, and societies. Here, we tested whether costs of social conflict over territorial space between Seychelles warblers (Acrocephalus sechellensis) are mitigated by kin-selected (genetic relatedness) or mutualistic (social familiarity) mechanisms. By measuring longitudinal changes in individuals’ body mass and telomere length, we demonstrated that the fitness costs of territoriality are driven by a complex interplay between relatedness, familiarity, local density, and sex. Physical fights were less common at territory boundaries shared between related or familiar males. In line with this, male territory owners gained mass when living next to related or familiar males and also showed less telomere attrition when living next to male kin. Importantly, these relationships were strongest in high-density areas of the population. Males also had more rapid telomere attrition when living next to unfamiliar male neighbors, but mainly when relatedness to those neighbors was also low. In contrast, neither kinship nor familiarity was linked to body mass or telomere loss in female territory owners. Our results indicate that resolving conflict over territorial space through kin-selected or mutualistic pathways can reduce both immediate energetic costs and permanent somatic damage, thus providing an important mechanism to explain fine-scale population structure and cooperation between different social units across a broad range of taxa. PMID:29073100

Surface studies on superhydrophobic and oleophobic polydimethylsiloxane-silica nanocomposite coating system

NASA Astrophysics Data System (ADS)

Basu, Bharathibai J.; Dinesh Kumar, V.; Anandan, C.

2012-11-01

Superhydrophobic and oleophobic polydimethylsiloxane (PDMS)-silica nanocomposite double layer coating was fabricated by applying a thin layer of low surface energy fluoroalkyl silane (FAS) as topcoat. The coatings exhibited WCA of 158-160° and stable oleophobic property with oil CA of 79°. The surface morphology was characterized by field emission scanning electron microscopy (FESEM) and surface chemical composition was determined by energy dispersive X-ray spectrometery (EDX) and X-ray photoelectron spectroscopy (XPS). FESEM images of the coatings showed micro-nano binary structure. The improved oleophobicity was attributed to the combined effect of low surface energy of FAS and roughness created by the random distribution of silica aggregates. This is a facile, cost-effective method to obtain superhydrophobic and oleophobic surfaces on larger area of various substrates.

3D-nanostructured Au electrodes for the event-specific detection of MON810 transgenic maize.

PubMed

Fátima Barroso, M; Freitas, Maria; Oliveira, M Beatriz P P; de-Los-Santos-Álvarez, Noemí; Lobo-Castañón, María Jesús; Delerue-Matos, Cristina

2015-03-01

In the present work, the development of a genosensor for the event-specific detection of MON810 transgenic maize is proposed. Taking advantage of nanostructuration, a cost-effective three dimensional electrode was fabricated and a ternary monolayer containing a dithiol, a monothiol and the thiolated capture probe was optimized to minimize the unspecific signals. A sandwich format assay was selected as a way of precluding inefficient hybridization associated with stable secondary target structures. A comparison between the analytical performance of the Au nanostructured electrodes and commercially available screen-printed electrodes highlighted the superior performance of the nanostructured ones. Finally, the genosensor was effectively applied to detect the transgenic sequence in real samples, showing its potential for future quantitative analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

A new technique for the characterization of chaff elements

NASA Astrophysics Data System (ADS)

Scholfield, David; Myat, Maung; Dauby, Jason; Fesler, Jonathon; Bright, Jonathan

2011-07-01

A new technique for the experimental characterization of electromagnetic chaff based on Inverse Synthetic Aperture Radar is presented. This technique allows for the characterization of as few as one filament of chaff in a controlled anechoic environment allowing for stability and repeatability of experimental results. This approach allows for a deeper understanding of the fundamental phenomena of electromagnetic scattering from chaff through an incremental analysis approach. Chaff analysis can now begin with a single element and progress through the build-up of particles into pseudo-cloud structures. This controlled incremental approach is supported by an identical incremental modeling and validation process. Additionally, this technique has the potential to produce considerable savings in financial and schedule cost and provides a stable and repeatable experiment to aid model valuation.

Data Acquisition and Linguistic Resources

NASA Astrophysics Data System (ADS)

Strassel, Stephanie; Christianson, Caitlin; McCary, John; Staderman, William; Olive, Joseph

All human language technology demands substantial quantities of data for system training and development, plus stable benchmark data to measure ongoing progress. While creation of high quality linguistic resources is both costly and time consuming, such data has the potential to profoundly impact not just a single evaluation program but language technology research in general. GALE's challenging performance targets demand linguistic data on a scale and complexity never before encountered. Resources cover multiple languages (Arabic, Chinese, and English) and multiple genres -- both structured (newswire and broadcast news) and unstructured (web text, including blogs and newsgroups, and broadcast conversation). These resources include significant volumes of monolingual text and speech, parallel text, and transcribed audio combined with multiple layers of linguistic annotation, ranging from word aligned parallel text and Treebanks to rich semantic annotation.

One-Step to Prepare Self-Organized Nanoporous NiO/TiO2 Layers and its Use in Non-Enzymatic Glucose Sensing

PubMed Central

Gao, Zhi-Da; Han, Yuyao; Wang, Yongmei; Xu, Jingwen; Song, Yan-Yan

2013-01-01

A highly ordered nanoporous NiTi oxide layers were fabricated on Ti alloys with high Ni contents (50.6 at.%) by a combination of self-organizing anodization at 0°C and subsequent selective etching in H2O2. The key for successful formation of such layers is to sufficiently suppress the dissolve of NiO by applying lower temperature during anodization. The resulting nanoporous structure is connected and well-adhered, which exhibits a much higher electrochemical cycling stability in 0.1 M NaOH. Without further surface modification or the use of polymer binders, the layers can be behave as a low-cost, stable and sensitive platform in non-enzymatic glucose sensing. PMID:24270125

Stability of Lobed Balloons

NASA Technical Reports Server (NTRS)

Ball, Danny (Technical Monitor); Pagitz, M.; Pellegrino, Xu S.

2004-01-01

This paper presents a computational study of the stability of simple lobed balloon structures. Two approaches are presented, one based on a wrinkled material model and one based on a variable Poisson s ratio model that eliminates compressive stresses iteratively. The first approach is used to investigate the stability of both a single isotensoid and a stack of four isotensoids, for perturbations of in.nitesimally small amplitude. It is found that both structures are stable for global deformation modes, but unstable for local modes at su.ciently large pressure. Both structures are stable if an isotropic model is assumed. The second approach is used to investigate the stability of the isotensoid stack for large shape perturbations, taking into account contact between di.erent surfaces. For this structure a distorted, stable configuration is found. It is also found that the volume enclosed by this con.guration is smaller than that enclosed by the undistorted structure.

Communication: Hypothetical ultralow-density ice polymorphs

NASA Astrophysics Data System (ADS)

Matsui, Takahiro; Hirata, Masanori; Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

2017-09-01

More than 300 kinds of porous ice structures derived from zeolite frameworks and space fullerenes are examined using classical molecular dynamics simulations. It is found that a hypothetical zeolitic ice phase is less dense and more stable than the sparse ice structures reported by Huang et al. [Chem. Phys. Lett. 671, 186 (2017)]. In association with the zeolitic ice structure, even less dense structures, "aeroices," are proposed. It is found that aeroices are the most stable solid phases of water near the absolute zero temperature under negative pressure.

Shared care or nurse consultations as an alternative to rheumatologist follow-up for rheumatoid arthritis (RA) outpatients with stable low disease-activity RA: cost-effectiveness based on a 2-year randomized trial.

PubMed

Sørensen, J; Primdahl, J; Horn, H C; Hørslev-Petersen, K

2015-01-01

To compare the cost-effectiveness of three types of follow-up for outpatients with stable low-activity rheumatoid arthritis (RA). In total, 287 patients were randomized to either planned rheumatologist consultations, shared care without planned consultations, or planned nurse consultations. Effectiveness measures included disease activity (Disease Activity Score based on 28 joint counts and C-reactive protein, DAS28-CRP), functional status (Health Assessment Questionnaire, HAQ), and health-related quality of life (EuroQol EQ-5D). Cost measures included activities in outpatient clinics and general practice, prescription and non-prescription medicine, dietary supplements, other health-care resources, and complementary and alternative care. Measures of effectiveness and costs were collected by self-reported questionnaires at inclusion and after 12 and 24 months. Incremental cost-effectiveness rates (ICERs) were estimated in comparison with rheumatologist consultations. Changes in disease activity, functional status, and health-related quality of life were not statistically significantly different for the three groups, although the mean scores were better for the shared care and nurse care groups compared with the rheumatologist group. Shared care and nurse care were non-significantly less costly than rheumatologist care. As both shared care and nurse care were associated with slightly better EQ-5D improvements and lower costs, they dominated rheumatologist care. At EUR 10,000 per quality-adjusted life year (QALY) threshold, shared care and nurse care were cost-effective with more than 90% probability. Nurse care was cost-effective in comparison with shared care with 75% probability. Shared care and nurse care seem to cost less but provide broadly similar health outcomes compared with rheumatologist outpatient care. However, it is still uncertain whether nurse care and shared care are cost-effective in comparison with rheumatologist outpatient care.

Cost-effectiveness of initial stress cardiovascular MR, stress SPECT or stress echocardiography as a gate-keeper test, compared with upfront invasive coronary angiography in the investigation and management of patients with stable chest pain: mid-term outcomes from the CECaT randomised controlled trial

PubMed Central

Thom, Howard; West, Nicholas E J; Hughes, Vikki; Dyer, Matthew; Buxton, Martin; Sharples, Linda D; Jackson, Christopher H; Crean, Andrew M

2014-01-01

Objectives To compare outcomes and cost-effectiveness of various initial imaging strategies in the management of stable chest pain in a long-term prospective randomised trial. Setting Regional cardiothoracic referral centre in the east of England. Participants 898 patients (69% man) entered the study with 869 alive at 2 years of follow-up. Patients were included if they presented for assessment of stable chest pain with a positive exercise test and no prior history of ischaemic heart disease. Exclusion criteria were recent infarction, unstable symptoms or any contraindication to stress MRI. Primary outcome measures The primary outcomes of this follow-up study were survival up to a minimum of 2 years post-treatment, quality-adjusted survival and cost-utility of each strategy. Results 898 patients were randomised. Compared with angiography, mortality was marginally higher in the groups randomised to cardiac MR (HR 2.6, 95% CI 1.1 to 6.2), but similar in the single photon emission CT-methoxyisobutylisonitrile (SPECT-MIBI; HR 1.0, 95% CI 0.4 to 2.9) and ECHO groups (HR 1.6, 95% CI 0.6 to 4.0). Although SPECT-MIBI was marginally superior to other non-invasive tests there were no other significant differences between the groups in mortality, quality-adjusted survival or costs. Conclusions Non-invasive cardiac imaging can be used safely as the initial diagnostic test to diagnose coronary artery disease without adverse effects on patient outcomes or increased costs, relative to angiography. These results should be interpreted in the context of recent advances in imaging technology. Trial registration ISRCTN 47108462, UKCRN 3696. PMID:24508847

Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

NASA Astrophysics Data System (ADS)

Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

2015-01-01

Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

Carbon monoxide poisoning is prevented by the energy costs of conformational changes in gas-binding haemproteins.

PubMed

Antonyuk, Svetlana V; Rustage, Neil; Petersen, Christine A; Arnst, Jamie L; Heyes, Derren J; Sharma, Raman; Berry, Neil G; Scrutton, Nigel S; Eady, Robert R; Andrew, Colin R; Hasnain, S Samar

2011-09-20

Carbon monoxide (CO) is a product of haem metabolism and organisms must evolve strategies to prevent endogenous CO poisoning of haemoproteins. We show that energy costs associated with conformational changes play a key role in preventing irreversible CO binding. AxCYTcp is a member of a family of haem proteins that form stable 5c-NO and 6c-CO complexes but do not form O(2) complexes. Structure of the AxCYTcp-CO complex at 1.25 Å resolution shows that CO binds in two conformations moderated by the extent of displacement of the distal residue Leu16 toward the haem 7-propionate. The presence of two CO conformations is confirmed by cryogenic resonance Raman data. The preferred linear Fe-C-O arrangement (170 ± 8°) is accompanied by a flip of the propionate from the distal to proximal face of the haem. In the second conformation, the Fe-C-O unit is bent (158 ± 8°) with no flip of propionate. The energetic cost of the CO-induced Leu-propionate movements is reflected in a 600 mV (57.9 kJ mol(-1)) decrease in haem potential, a value in good agreement with density functional theory calculations. Substitution of Leu by Ala or Gly (structures determined at 1.03 and 1.04 Å resolutions) resulted in a haem site that binds CO in the linear mode only and where no significant change in redox potential is observed. Remarkably, these variants were isolated as ferrous 6c-CO complexes, attributable to the observed eight orders of magnitude increase in affinity for CO, including an approximately 10,000-fold decrease in the rate of dissociation. These new findings have wide implications for preventing CO poisoning of gas-binding haem proteins.

Coronary computed tomography versus exercise testing in patients with stable chest pain: comparative effectiveness and costs.

PubMed

Genders, Tessa S S; Ferket, Bart S; Dedic, Admir; Galema, Tjebbe W; Mollet, Nico R A; de Feyter, Pim J; Fleischmann, Kirsten E; Nieman, Koen; Hunink, M G Myriam

2013-08-20

To determine the comparative effectiveness and costs of a CT-strategy and a stress-electrocardiography-based strategy (standard-of-care; SOC-strategy) for diagnosing coronary artery disease (CAD). A decision analysis was performed based on a well-documented prospective cohort of 471 outpatients with stable chest pain with follow-up combined with best-available evidence from the literature. Outcomes were correct classification of patients as CAD- (no obstructive CAD), CAD+ (obstructive CAD without revascularization) and indication for Revascularization (using a combination reference standard), diagnostic costs, lifetime health care costs, and quality-adjusted life years (QALY). Parameter uncertainty was analyzed using probabilistic sensitivity analysis. For men (and women), diagnostic cost savings were €245 (€252) for the CT-strategy as compared to the SOC-strategy. The CT-strategy classified 82% (88%) of simulated men (women) in the appropriate disease category, whereas 83% (85%) were correctly classified by the SOC-strategy. The long-term cost-effectiveness analysis showed that the SOC-strategy was dominated by the CT-strategy, which was less expensive (-€229 in men, -€444 in women) and more effective (+0.002 QALY in men, +0.005 in women). The CT-strategy was cost-saving (-€231) but also less effective compared to SOC (-0.003 QALY) in men with a pre-test probability of ≥ 70%. The CT-strategy was cost-effective in 100% of simulations, except for men with a pre-test probability ≥ 70% in which case it was 59%. The results suggest that a CT-based strategy is less expensive and equally effective compared to SOC in all women and in men with a pre-test probability <70%. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Economic impact of angina after an acute coronary syndrome: insights from the MERLIN-TIMI 36 trial.

PubMed

Arnold, Suzanne V; Morrow, David A; Lei, Yang; Cohen, David J; Mahoney, Elizabeth M; Braunwald, Eugene; Chan, Paul S

2009-07-01

Angina in patients with coronary artery disease is associated with worse quality of life; however, the relationship between angina frequency and resource utilization is unknown. Using data from the MERLIN-TIMI 36 trial, we assessed the association between the extent of angina after an acute coronary syndrome (ACS) and subsequent cardiovascular resource utilization among 5460 stable outpatients who completed the Seattle Angina Questionnaire at 4 months after an ACS and who were then followed for an additional 8 months. Angina frequency was categorized as none (score, 100; 2739 patients), monthly (score, 61 to 99; 1608 patients), weekly (score, 31 to 60; 854 patients), and daily (score, 0 to 30; 259 patients). Multivariable regression models evaluated the association between angina frequency and overall costs attributable to cardiovascular hospitalizations, outpatient visits and procedures, and medications. As compared with no angina, overall costs increased in a graded fashion with higher angina frequency-no angina, $2928 (reference); monthly angina, $3909 (adjusted relative cost ratio, 1.29; 95% CI, 1.21 to 1.39); weekly angina, $4558 (adjusted relative cost ratio, 1.52; 95% CI, 1.48 to 1.67); and daily angina, $6949 (adjusted relative cost ratio, 2.32; 95% CI, 2.01 to 2.69; P for trend <0.001). Differences in costs were attributable primarily to higher rates of ACS hospitalization and coronary revascularization among patients with more severe angina. Among stable outpatients after ACS, a direct graded relationship was found between higher angina frequency and healthcare costs. As compared with patients without angina, patients with daily angina had a >2-fold increase in resource utilization and incremental costs of $4000 after 8 months of follow-up.

Blurred Palmprint Recognition Based on Stable-Feature Extraction Using a Vese–Osher Decomposition Model

PubMed Central

Hong, Danfeng; Su, Jian; Hong, Qinggen; Pan, Zhenkuan; Wang, Guodong

2014-01-01

As palmprints are captured using non-contact devices, image blur is inevitably generated because of the defocused status. This degrades the recognition performance of the system. To solve this problem, we propose a stable-feature extraction method based on a Vese–Osher (VO) decomposition model to recognize blurred palmprints effectively. A Gaussian defocus degradation model is first established to simulate image blur. With different degrees of blurring, stable features are found to exist in the image which can be investigated by analyzing the blur theoretically. Then, a VO decomposition model is used to obtain structure and texture layers of the blurred palmprint images. The structure layer is stable for different degrees of blurring (this is a theoretical conclusion that needs to be further proved via experiment). Next, an algorithm based on weighted robustness histogram of oriented gradients (WRHOG) is designed to extract the stable features from the structure layer of the blurred palmprint image. Finally, a normalized correlation coefficient is introduced to measure the similarity in the palmprint features. We also designed and performed a series of experiments to show the benefits of the proposed method. The experimental results are used to demonstrate the theoretical conclusion that the structure layer is stable for different blurring scales. The WRHOG method also proves to be an advanced and robust method of distinguishing blurred palmprints. The recognition results obtained using the proposed method and data from two palmprint databases (PolyU and Blurred–PolyU) are stable and superior in comparison to previous high-performance methods (the equal error rate is only 0.132%). In addition, the authentication time is less than 1.3 s, which is fast enough to meet real-time demands. Therefore, the proposed method is a feasible way of implementing blurred palmprint recognition. PMID:24992328

Blurred palmprint recognition based on stable-feature extraction using a Vese-Osher decomposition model.

PubMed

Hong, Danfeng; Su, Jian; Hong, Qinggen; Pan, Zhenkuan; Wang, Guodong

2014-01-01

As palmprints are captured using non-contact devices, image blur is inevitably generated because of the defocused status. This degrades the recognition performance of the system. To solve this problem, we propose a stable-feature extraction method based on a Vese-Osher (VO) decomposition model to recognize blurred palmprints effectively. A Gaussian defocus degradation model is first established to simulate image blur. With different degrees of blurring, stable features are found to exist in the image which can be investigated by analyzing the blur theoretically. Then, a VO decomposition model is used to obtain structure and texture layers of the blurred palmprint images. The structure layer is stable for different degrees of blurring (this is a theoretical conclusion that needs to be further proved via experiment). Next, an algorithm based on weighted robustness histogram of oriented gradients (WRHOG) is designed to extract the stable features from the structure layer of the blurred palmprint image. Finally, a normalized correlation coefficient is introduced to measure the similarity in the palmprint features. We also designed and performed a series of experiments to show the benefits of the proposed method. The experimental results are used to demonstrate the theoretical conclusion that the structure layer is stable for different blurring scales. The WRHOG method also proves to be an advanced and robust method of distinguishing blurred palmprints. The recognition results obtained using the proposed method and data from two palmprint databases (PolyU and Blurred-PolyU) are stable and superior in comparison to previous high-performance methods (the equal error rate is only 0.132%). In addition, the authentication time is less than 1.3 s, which is fast enough to meet real-time demands. Therefore, the proposed method is a feasible way of implementing blurred palmprint recognition.

Theoretical discovery of stable structures of group III-V monolayers: The materials for semiconductor devices

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

Suzuki, Tatsuo, E-mail: dr.tatsuosuzuki@gmail.com

Group III-V compounds are very important as the materials of semiconductor devices. Stable structures of the monolayers of group III-V binary compounds have been discovered by using first-principles calculations. The primitive unit cell of the discovered structures is a rectangle, which includes four group-III atoms and four group-V atoms. A group-III atom and its three nearest-neighbor group-V atoms are placed on the same plane; however, these connections are not the sp{sup 2} hybridization. The bond angles around the group-V atoms are less than the bond angle of sp{sup 3} hybridization. The discovered structure of GaP is an indirect transition semiconductor,more » while the discovered structures of GaAs, InP, and InAs are direct transition semiconductors. Therefore, the discovered structures of these compounds have the potential of the materials for semiconductor devices, for example, water splitting photocatalysts. The discovered structures may become the most stable structures of monolayers which consist of other materials.« less

Stable monolayer honeycomb-like structures of RuX2 (X =S,Se)

NASA Astrophysics Data System (ADS)

Ersan, Fatih; Cahangirov, Seymur; Gökoǧlu, Gökhan; Rubio, Angel; Aktürk, Ethem

2016-10-01

Recent studies show that several metal oxides and dichalcogenides (M X2) , which exist in nature, can be stable in two-dimensional (2D) form and each year several new M X2 structures are explored. The unstable structures in H (hexagonal) or T (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of RuS2 and RuSe2 materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D Ru X2 (X =S,Se) structures from first principles. While their H and T structures are unstable, the distorted T structures (T'-Ru X2) are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that T'-Ru X2 systems are stable even at 500 K without any structural deformation. T'-RuS2 and T'-RuSe2 have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE) gap values, respectively. We also examine their bilayer and trilayer forms and find direct and smaller band gaps. We find that AA stacking is more favorable than the AB configuration. The new 2D materials obtained can be good candidates with striking properties for applications in semiconductor electronic, optoelectronic devices, and sensor technology.

Effect of direct reciprocity and network structure on continuing prosperity of social networking services.

PubMed

Osaka, Kengo; Toriumi, Fujio; Sugawara, Toshihauru

2017-01-01

Social networking services (SNSs) are widely used as communicative tools for a variety of purposes. SNSs rely on the users' individual activities associated with some cost and effort, and thus it is not known why users voluntarily continue to participate in SNSs. Because the structures of SNSs are similar to that of the public goods (PG) game, some studies have focused on why voluntary activities emerge as an optimal strategy by modifying the PG game. However, their models do not include direct reciprocity between users, even though reciprocity is a key mechanism that evolves and sustains cooperation in human society. We developed an abstract SNS model called the reciprocity rewards and meta-rewards games that include direct reciprocity by extending the existing models. Then, we investigated how direct reciprocity in an SNS facilitates cooperation that corresponds to participation in SNS by posting articles and comments and how the structure of the networks of users exerts an influence on the strategies of users using the reciprocity rewards game. We run reciprocity rewards games on various complex networks and an instance network of Facebook and found that two types of stable cooperation emerged. First, reciprocity slightly improves the rate of cooperation in complete graphs but the improvement is insignificant because of the instability of cooperation. However, this instability can be avoided by making two assumptions: high degree of fun, i.e. articles are read with high probability, and different attitudes to reciprocal and non-reciprocal agents. We then propose the concept of half free riders to explain what strategy sustains cooperation-dominant situations. Second, we indicate that a certain WS network structure affects users' optimal strategy and facilitates stable cooperation without any extra assumptions. We give a detailed analysis of the different characteristics of the two types of cooperation-dominant situations and the effect of the memory of reciprocal agents on cooperation.

Stability and Structure of Star-Shape Granules

NASA Astrophysics Data System (ADS)

Zhao, Yuchen; Bares, Jonathan; Liu, Kevin; Zheng, Matthew; Dierichs, Karola; Menges, Achim; Behringer, Robert

Columns made of convex noncohesive grains like sand collapse after being released from a confining container. While various architectures built by concave grains are stable. We explore why these structures are stable, and how stable they can be. We performed experiments by randomly pouring identical star-shape particles into hollow cylinders resting on glass or a roughened base, and then observed how stable these granular columns were after carefully lifting the cylinders. We used particles that are made of acrylics and have six 9 mm arms, which extend symmetrically in xyz directions. We investigated the probability of creating a stable column and other mechanical stability aspects. We define r as the weight fraction of particles that fall out of the column after the confining cylinder is removed. r gradually increases as the column height increases, or the column diameter decreases. We found high column stability when the inter-particle friction was greater. We also explored experiment conditions such as initial vibration of columns when they were confined and loading on the top. In order to understand the inner structure leading to stability, we obtained 3D CT reconstruction data of stable columns. We will discuss coordination number and orientation, etc. We acknowledge supports from W.M.Keck Foundation and Research Triangle MRSEC.

Lone pair effect, structural distortions, and potential for superconductivity in Tl perovskites.

PubMed

Schoop, Leslie M; Müchler, Lukas; Felser, Claudia; Cava, R J

2013-05-06

Drawing the analogy to BaBiO3, we investigate via ab initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb and Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. On the basis of chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, similar to the case of BaBiO3, effectively becoming A2Tl(+)Tl(3+)X6. We find that upon hole doping of RbTlCl3, structures without Tl(+) and Tl(3+) charge disproportionation become more stable, although the ideal cubic perovskite, often viewed as the best host for superconductivity, should not be the most stable phase in the system. The known superconductor (Sr,K)BiO3 and hole doped RbTlCl3, predicted to be most stable in the same tetragonal structure, display highly analogous calculated electronic band structures.

From toothpaste to topological insulators and materials for valleytronics: The journeys of fluorinated tin

NASA Astrophysics Data System (ADS)

Barraza-Lopez, Salvador; Rivero, Pablo; Yan, Jia-An; Garcia-Suarez, Victor Manuel; Ferrer, Jaime

2015-03-01

Tin fluoride has a vast literature. This material is stable in bulk form at room temperature and has commercial applications that include fluorinated toothpaste. Bulk tin fluoride has a pair of fluorine atoms bridging two tin atoms. In the recent past the electronic properties of 2D tin with honeycomb structure have been discussed thus generating a wealth of literature that emphasizes its non-topologically-trivial electronic properties due to the combination of a Dirac-like dispersion and a strong spin-orbit coupling given its large atomic mass. Nevertheless the stability of such freestanding structures has been contested recently. As it turns out, the most stable form of fluorinated tin does not possess a graphane-like structure either. In the most stable phase to be discussed here, fluorine atoms tilt away from (graphane-like) positions over/below tin atoms; in an atomistic arrangement similar to the one seen on their parent bulk structure. Electronic properties depend on atomistic coordination, and the most stable form of fluorinated tin does not possess non-trivial topological properties. Nevertheless it represents a new paradigm for valleytronics in 2D.

KASCADE2017 - An experimental study of thermal circulations and turbulence in complex terrain

NASA Astrophysics Data System (ADS)

Pardyjak, Eric; Dupuy, Florian; Durand, Pierre; Gunawardena, Nipun; Hedde, Thierry; Rubin, Pierre

2017-04-01

The KASCADE (KAtabatic winds and Stability over CAdarache for Dispersion of Effluents) 2017 experiment was conducted during winter 2017 with the overarching objective of improving prediction of dispersion in complex terrain during stable atmospheric conditions. The experiment builds on knowledge gathered during the first KASCADE experiment conducted in 2013 (Duine et al., 2016), which provided detailed observations of the vertical structure of the atmosphere during stable conditions. In spite of this improved understanding, considerable uncertainty remains regarding the near-surface horizontal spatial and temporal variability of winds and thermodynamic variables. For this specific campaign, the general aim has been to use a large number of sensors to improve our understanding of the spatial and temporal development, evolution and breakdown of topographically driven flows. KASCADE 2017 consisted of continuous observations, which were broadened during ten Intensive Observation Periods (IOPs) conducted in the Cadarache Valley located in south-eastern France from January through March 2017. The Cadarache Valley is a relatively small valley (6 km x 1 km) with modest slopes and elevation differences between the valley floor and nearby peaks ( 100 m). The valley is embedded in the larger Durance Valley drainage system leading to multi-scale flow interactions. During the winter, winds are light and stably stratified leading to thermal circulations as well as complex near-surface atmospheric layering that impacts dispersion of contaminants. The continuously operating instrumentation deployed included mean near surface (2-m) and sub-surface observations from 12 low-cost Local Energy-budget Measurement Stations (LEMS), four sonic anemometer masts, one full surface flux station, sodar measurements at two locations, wind and temperature measurements from a tall 110 m tower, and two additional met stations. During IOPs, additional deployments included a low-cost tethered balloon temperature profiler as well as regular (every 3 hours) radiosoundings (including recoverable and reusable probes). The presentation will provide an overview of the experiment and several interesting "first-results." First results will include data characterizing highly-regular nocturnal horizontal wind meandering and associated turbulence statistics. In addition, we present data on the development of strong near surface stable stratification hours before sunset.

MoS2 edges and heterophase interfaces: energy, structure and phase engineering

NASA Astrophysics Data System (ADS)

Zhou, Songsong; Han, Jian; Sun, Jianwei; Srolovitz, David J.

2017-06-01

The transition metal dichalcogenides exhibit polymorphism; i.e. both 2H and 1T‧ crystal structures, each with unique electronic properties. These two phases can coexist within the same monolayer microstructure, producing 2H/1T‧ interfaces. Here we report a systematic investigation of the energetics of the experimentally most important MoS2 heterophase interfaces and edges. The stable interface and edge structures change with chemical potential (these edges/interfaces are usually non-stoichiometric). Stable edges tend to be those of highest atomic density and the stable interfaces correspond to those with local atomic structure very similar to the 2H crystal. The interfacial energies are lower than those of the edges, and the 1T‧ edges have lower energy than the 2H edges. Because the 1T‧ edges have much lower energy than the 2H edges, a sufficiently narrow 1T‧ ribbon will be more stable than the corresponding 2H ribbon (this critical width is much larger in MoTe2 than in MoS2). Similarly, a large 2H flake have an equilibrium strip of 1T‧ along its edge (again this effect is much larger in MoTe2 than in MoS2). Application of tensile strains can increase the width of the stable 1T‧ strip or the critical thickness below which a ribbon favors the 1T‧ structure. These effects provide a means to phase engineer transition metal dichalcogenide microstructures.

Theory of Disk-to-Vesicle Transformation

NASA Astrophysics Data System (ADS)

Li, Jianfeng; Shi, An-Chang

2009-03-01

Self-assembled membranes from amphiphilic molecules, such as lipids and block copolymers, can assume a variety of morphologies dictated by energy minimization of system. The membrane energy is characterized by a bending modulus (κ), a Gaussian modulus (κG), and the line tension (γ) of the edge. Two basic morphologies of membranes are flat disks that minimize the bending energy at the cost of the edge energy, and enclosed vesicles that minimize the edge energy at the cost of bending energy. In our work, the transition from disk to vesicle is studied theoretically using the string method, which is designed to find the minimum energy path (MEP) or the most probable transition path between two local minima of an energy landscape. Previous studies of disk-to-vesicle transition usually approximate the transitional states by a series of spherical cups, and found that the spherical cups do not correspond to stable or meta-stable states of the system. Our calculation demonstrates that the intermediate shapes along the MEP are very different from spherical cups. Furthermore, some of these transitional states can be meta-stable. The disk-to-vesicle transition pathways are governed by two scaled parameters, κG/κ and γR0/4κ, where R0 is the radius of the disk. In particular, a meta-stable intermediate state is predicted, which may correspond to the open morphologies observed in experiments and simulations.

Identification of a potential superhard compound ReCN

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

Fan, Xiaofeng; Li, M. M.; Singh, David J.

2015-01-24

Here, we identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. Furthermore, we find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC 2 and ReN 2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths.more » Additionally, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures.« less

Integrated Vegetation Management Fact Sheet

EPA Pesticide Factsheets

IVM is generally defined as the practice of promoting desirable, stable, low-growing plant communities that will resist invasion by tall growing tree species through the use of appropriate, environmentally-sound, and cost-effective control methods.

Acousto-optical and SAW propagation characteristics of temperature stable multilayered structures based on LiNbO3 and diamond

NASA Astrophysics Data System (ADS)

Shandilya, Swati; Sreenivas, K.; Gupta, Vinay

2008-01-01

Theoretical studies on the surface acoustic wave (SAW) properties of c-axis oriented LiNbO3/IDT/diamond and diamond/IDT/128° rotated Y-X cut LiNbO3 multilayered structures have been considered. Both layered structures exhibit a positive temperature coefficient of delay (TCD) characteristic, and a zero TCD device is obtained after integrating with an over-layer of either tellurium dioxide (TeO2) or silicon dioxide (SiO2). The presence of a TeO2 over-layer enhanced the electromechanical coupling coefficients of both multilayered structures, which acts as a better temperature compensation layer than SiO2. The temperature stable TeO2/LiNbO3/IDT/diamond layered structure exhibits good electromechanical coefficient and higher phase velocity for SAW device applications. On the other hand, a high acousto-optical (AO) figure of merit (30-37) × 10-15 s3 kg-1 has been obtained for the temperature stable SiO2/diamond/IDT/LiNbO3 layered structure indicating a promising device structure for AO applications.

A stable compound of helium and sodium at high pressure

DOE PAGES

Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.; ...

2017-02-06

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na 2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes thismore » material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na 8 cubes. As a result, we also predict the existence of Na 2HeO with a similar structure at pressures above 15 GPa.« less

A stable compound of helium and sodium at high pressure

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

Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na 2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes thismore » material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na 8 cubes. We also predict the existence of Na 2HeO with a similar structure at pressures above 15 GPa.« less

A stable compound of helium and sodium at high pressure

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

Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na 2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes thismore » material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na 8 cubes. As a result, we also predict the existence of Na 2HeO with a similar structure at pressures above 15 GPa.« less

Evolutionary stability of mutualism: interspecific population regulation as an evolutionarily stable strategy

USGS Publications Warehouse

Holland, J. Nathaniel; DeAngelis, Donald L.; Schultz, Stewart T.

2004-01-01

Interspecific mutualisms are often vulnerable to instability because low benefit : cost ratios can rapidly lead to extinction or to the conversion of mutualism to parasite–host or predator–prey interactions. We hypothesize that the evolutionary stability of mutualism can depend on how benefits and costs to one mutualist vary with the population density of its partner, and that stability can be maintained if a mutualist can influence demographic rates and regulate the population density of its partner. We test this hypothesis in a model of mutualism with key features of senita cactus (Pachycereus schottii) – senita moth (Upiga virescens) interactions, in which benefits of pollination and costs of larval seed consumption to plant fitness depend on pollinator density. We show that plants can maximize their fitness by allocating resources to the production of excess flowers at the expense of fruit. Fruit abortion resulting from excess flower production reduces pre–adult survival of the pollinating seed–consumer, and maintains its density beneath a threshold that would destabilize the mutualism. Such a strategy of excess flower production and fruit abortion is convergent and evolutionarily stable against invasion by cheater plants that produce few flowers and abort few to no fruit. This novel mechanism of achieving evolutionarily stable mutualism, namely interspecific population regulation, is qualitatively different from other mechanisms invoking partner choice or selective rewards, and may be a general process that helps to preserve mutualistic interactions in nature.

From Coordination Cages to a Stable Crystalline Porous Hydrogen-Bonded Framework

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

Ju, Zhanfeng; Liu, Guoliang; Chen, Yu-Sheng

2017-03-20

A stable framework has been constructed through multiple charge-assisted H-bonds between cationic coordination cages and chloride ions. The framework maintained its original structure upon desolvation, which has been established by single-crystal structure analysis. This is the first fully characterized stable porous framework based on coordination cages after desolvation, with a moderately high Brunauer–Emmett–Teller (BET) surface area of 1201 m2 g-1. This work will not only give a light to construct stable porous frameworks based on coordination cages and thus broaden their applications, but will also provide a new avenue to the assembly of other porous materials such as porous organicmore » cages and hydrogen-bonded organic frameworks (HOFs) through non covalent bonds.« less

Stabilization of flux during dead-end ultra-low pressure ultrafiltration.

PubMed

Peter-Varbanets, Maryna; Hammes, Frederik; Vital, Marius; Pronk, Wouter

2010-06-01

Gravity driven ultrafiltration was operated in dead-end mode without any flushing or cleaning. In contrary to general expectations, the flux value stabilized after about one week of operation and remained constant during an extended period of time (several months). Different surface water types and diluted wastewater were used as feed water and, depending on the feed water composition, stable flux values were in the range of 4-10 L h(-1) m(-2). When sodium azide was added to the feed water to diminish the biological activity, no stabilization of flux occurred, indicating that biological processes play an important role in the flux stabilization process. Confocal laser scanning microscopy revealed the presence of a biofouling layer, of which the structure changed over time, leading to relatively heterogeneous structures. It is assumed that the stabilization of flux is related to the development of heterogeneous structures in the fouling layer, due to biological processes in the layer. The phenomenon of flux stabilization opens interesting possibilities for application, for instance in simple and low-cost ultrafiltration systems for decentralized drinking water treatment in developing and transition countries, independent of energy supply, chemicals, or complex process control. 2010 Elsevier Ltd. All rights reserved.

Atomic Scale Analysis of the Enhanced Electro- and Photo-Catalytic Activity in High-Index Faceted Porous NiO Nanowires

NASA Astrophysics Data System (ADS)

Shen, Meng; Han, Ali; Wang, Xijun; Ro, Yun Goo; Kargar, Alireza; Lin, Yue; Guo, Hua; Du, Pingwu; Jiang, Jun; Zhang, Jingyu; Dayeh, Shadi A.; Xiang, Bin

2015-02-01

Catalysts play a significant role in clean renewable hydrogen fuel generation through water splitting reaction as the surface of most semiconductors proper for water splitting has poor performance for hydrogen gas evolution. The catalytic performance strongly depends on the atomic arrangement at the surface, which necessitates the correlation of the surface structure to the catalytic activity in well-controlled catalyst surfaces. Herein, we report a novel catalytic performance of simple-synthesized porous NiO nanowires (NWs) as catalyst/co-catalyst for the hydrogen evolution reaction (HER). The correlation of catalytic activity and atomic/surface structure is investigated by detailed high resolution transmission electron microscopy (HRTEM) exhibiting a strong dependence of NiO NW photo- and electrocatalytic HER performance on the density of exposed high-index-facet (HIF) atoms, which corroborates with theoretical calculations. Significantly, the optimized porous NiO NWs offer long-term electrocatalytic stability of over one day and 45 times higher photocatalytic hydrogen production compared to commercial NiO nanoparticles. Our results open new perspectives in the search for the development of structurally stable and chemically active semiconductor-based catalysts for cost-effective and efficient hydrogen fuel production at large scale.

Successful and stable orthodontic camouflage of a mandibular asymmetry with sliding jigs.

PubMed

Oliveira, Dauro Douglas; Oliveira, Bruno Franco de; Mordente, Carolina Morsani; Godoy, Gabriela Martins; Soares, Rodrigo Villamarim; Seraidarian, Paulo Isaías

2018-03-12

The purpose of this paper is to present and discuss a simple and low-cost clinical approach to correct an asymmetric skeletal Class III combined to an extensive dental open bite that significantly compromised the occlusal function and smile aesthetics of an adult male patient. The patient did not accept the idealistic surgical-orthodontic treatment option, neither the use of temporary anchorage devices to facilitate the camouflage of the asymmetrical skeletal Class III/open bite. Therefore, a very simple and inexpensive biomechanical approach using sliding jigs in the mandibular arch was implemented as the compensatory treatment of the malocclusion. Although minor enhancements in facial aesthetics were obtained, the occlusal function and dental aesthetics were significantly improved. Furthermore, the patient was very satisfied with his new smile appearance. Some advantages of this treatment option included the small invasiveness and the remarkably low financial costs involved. Moreover, the final results fulfilled all realistic treatment objectives and the patient's expectations. Results remained stable 5 years post-treatment demonstrating that excellent results can be obtained when simple and low cost, but well-controlled mechanics are conducted.

Geographic variation in Northwest Atlantic fin whale (Balaenoptera physalus) song: implications for stock structure assessment.

PubMed

Delarue, Julien; Todd, Sean K; Van Parijs, Sofie M; Di Iorio, Lucia

2009-03-01

Passive acoustic data are increasingly being used as a tool for helping to define marine mammal populations and stocks. Fin whale (Balaenoptera physalus) songs present a unique opportunity to determine interstock differences. Their highly stereotyped interpulse interval has been shown to vary between geographic areas and to remain stable over time in some areas. In this study the structure of songs recorded at two geographically close feeding aggregations in the Gulf of St. Lawrence (GSL) and Gulf of Maine (GoM) was compared. Recordings were made from September 2005 through February 2006 in the GSL and intermittently between January 2006 and September 2007 at two locations in the GoM. 6257 pulse intervals corresponding to 19 GSL and 29 GoM songs were measured to characterize songs from both areas. Classification trees showed that GSL songs differ significantly from those in the GoM. The results are consistent with those derived from other stock structure assessment methodologies, such as chemical signature and photoidentification analysis, suggesting that fin whales in these areas may form separate management stocks. Song structure analysis could therefore provide a useful and cost-efficient tool for defining conservation units over temporal and geographical scales relevant to management objectives in fin whales.

Moisture Content Numerical Simulation on Structural Damage of Hot Mix Asphaltic Pavement

NASA Astrophysics Data System (ADS)

Abejide, O. S.; Mostafa, M. M. H.

2017-06-01

Considering the merits of road transportation in the economy and communication activities of the modern societies, it is imperative to design a safe, stable, efficient and cost effective road that will lead to increased economic development and growth of the South African nation. Although, the overarching effect of failed roads has in many ways led to increased travel time, loss of life and property; leading to reduced driver control on failed road sections (riding quality). Thus, time rate delamination of flexible pavement is a major focus of this study. Since structural collapse in a flexible pavement structure is caused by the evolution of different types of damage mechanisms; fatigue cracking, advanced crushing, temperature variation, and delamination. The effect of moisture content on HMA was analysed. The analysis from the multi-layered elastic model indicates that increase in moisture content in the underlying layer of HMA pavement results to increase in the strain of the individual layers and culminates to a decrease in the structural carrying capacity of the pavement with respect to number of load cycles that can be carried on the HMA pavement. This study shows a clear relationship between the moisture/saturation coefficient and the Elastic Modulus of the underlying geometric material layer properties of the pavement during the service life of the pavement.

Least dissipation cost as a design principle for robustness and function of cellular networks

NASA Astrophysics Data System (ADS)

Han, Bo; Wang, Jin

2008-03-01

From a study of the budding yeast cell cycle, we found that the cellular network evolves to have the least cost for realizing its biological function. We quantify the cost in terms of the dissipation or heat loss characterized through the steady-state properties: the underlying landscape and the associated flux. We found that the dissipation cost is intimately related to the stability and robustness of the network. With the least dissipation cost, the network becomes most stable and robust under mutations and perturbations on the sharpness of the response from input to output as well as self-degradations. The least dissipation cost may provide a general design principle for the cellular network to survive from the evolution and realize the biological function.

The application of thermally induced multistable composites to morphing aircraft structures

NASA Astrophysics Data System (ADS)

Mattioni, Filippo; Weaver, Paul M.; Potter, Kevin D.; Friswell, Michael I.

2008-03-01

One approach to morphing aircraft is to use bistable or multistable structures that have two or more stable equilibrium configurations to define a discrete set of shapes for the morphing structure. Moving between these stable states may be achieved using an actuation system or by aerodynamic loads. This paper considers three concepts for morphing aircraft based on multistable structures, namely a variable sweep wing, bistable blended winglets and a variable camber trailing edge. The philosophy behind these concepts is outlined, and simulated and experimental results are given.

Resonance between a Prolate and a Superprolate Structure of the Er Nucleus.

PubMed

Pauling, L; Blethen, J

1974-07-01

Observed energy levels of (162)Er from the normal state J = 0 to the excited rotational state J = 18 correspond to values of the moment of inertia and rotational frequency that indicate that a pronounced change in structure occurs at about J = 14. It is shown that the observed values agree well with the values calculated on the assumption that there is resonance between a more stable prolate structure with a core of two spherons and a less stable superprolate structure with a core of three spherons in line.

One-Year stable perovskite solar cells by 2D/3D interface engineering

NASA Astrophysics Data System (ADS)

Grancini, G.; Roldán-Carmona, C.; Zimmermann, I.; Mosconi, E.; Lee, X.; Martineau, D.; Narbey, S.; Oswald, F.; de Angelis, F.; Graetzel, M.; Nazeeruddin, Mohammad Khaja

2017-06-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH2)4NH3)2PbI4/CH3NH3PbI3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells.

One-Year stable perovskite solar cells by 2D/3D interface engineering

PubMed Central

Grancini, G.; Roldán-Carmona, C.; Zimmermann, I.; Mosconi, E.; Lee, X.; Martineau, D.; Narbey, S.; Oswald, F.; De Angelis, F.; Graetzel, M.; Nazeeruddin, Mohammad Khaja

2017-01-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH2)4NH3)2PbI4/CH3NH3PbI3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells. PMID:28569749

One-Year stable perovskite solar cells by 2D/3D interface engineering.

PubMed

Grancini, G; Roldán-Carmona, C; Zimmermann, I; Mosconi, E; Lee, X; Martineau, D; Narbey, S; Oswald, F; De Angelis, F; Graetzel, M; Nazeeruddin, Mohammad Khaja

2017-06-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH 2 ) 4 NH 3 ) 2 PbI 4 /CH 3 NH 3 PbI 3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm 2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells.

Structural, electronic and vibrational properties of small GaxNy (x+y = 2 5) nanoclusters: a B3LYP-DFT study

NASA Astrophysics Data System (ADS)

Yadav, P. S.; Yadav, R. K.; Agrawal, B. K.

2007-02-01

An ab initio study of the stability, structural and electronic properties has been made for 49 gallium nitride nanoclusters, GaxNy (x+y = 2-5). Among the various configurations corresponding to a fixed x+y = n value, the configuration possessing the maximum value of binding energy (BE) is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize the geometries of the nanoclusters fully. The binding energies (BEs), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps and the bond lengths have been obtained for all the clusters. We have considered the zero-point energy (ZPE) corrections ignored by the earlier workers. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have been investigated for the most stable structures. The configurations containing the N atoms in majority are seen to be the most stable structures. The strong N-N bond has an important role in stabilizing the clusters. For clusters containing one Ga atom and all the others as N atoms, the BE increases monotonically with the number of the N atoms. The HOMO-LUMO gap and IP fluctuate with the cluster size n, having larger values for the clusters containing odd number of N atoms. On the other hand, the EA decreases with the cluster size up to n = 3, and shows slow fluctuations thereafter for the larger clusters. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA) because of the lower energies of the most stable ground state of the cationic (anionic) clusters. The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the predicted physical quantities are in good agreement with the experimental data wherever available. The growth of these most stable structures should be possible in experiments.

Structural, electronic and vibrational properties of GexCy (x+y=2-5) nanoclusters: A B3LYP-DFT study

NASA Astrophysics Data System (ADS)

Goswami, Sohini; Saha, Sushmita; Yadav, R. K.

2015-11-01

An ab-initio study of the stability, structural and electronic properties has been made for 84 germanium carbide nanoclusters, GexCy (x+y=2-5). The configuration possessing the maximum value of final binding energy (FBE), among the various configurations corresponding to a fixed x+y=n value, is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize fully the geometries of the nanoclusters. The binding energies (BE), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps have been obtained for all the clusters and the bond lengths have been reported for the most stable clusters. We have considered the zero point energy (ZPE) corrections. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have also been investigated for the most stable structures. The configurations containing the carbon atoms in majority are seen to be the most stable structures. The strong C-C bond has important role in stabilizing the clusters. For the clusters containing one germanium atom and all the other as carbon atoms, the BE increases monotonically with the number of the carbon atoms. The HOMO-LUMO gap, IPs and EAs fluctuates with increase in the number of atoms. The nanoclusters containing even number of carbon atoms have large HOMO-LUMO gaps and IPs, whereas the nanoclusters containing even number of carbon atoms have small EAs. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA). The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the predicted physical quantities are in good agreement with the experimental data wherever available. The growth of these most stable structures should be possible in the experiments.

Optimal transfers between unstable periodic orbits using invariant manifolds

NASA Astrophysics Data System (ADS)

Davis, Kathryn E.; Anderson, Rodney L.; Scheeres, Daniel J.; Born, George H.

2011-03-01

This paper presents a method to construct optimal transfers between unstable periodic orbits of differing energies using invariant manifolds. The transfers constructed in this method asymptotically depart the initial orbit on a trajectory contained within the unstable manifold of the initial orbit and later, asymptotically arrive at the final orbit on a trajectory contained within the stable manifold of the final orbit. Primer vector theory is applied to a transfer to determine the optimal maneuvers required to create the bridging trajectory that connects the unstable and stable manifold trajectories. Transfers are constructed between unstable periodic orbits in the Sun-Earth, Earth-Moon, and Jupiter-Europa three-body systems. Multiple solutions are found between the same initial and final orbits, where certain solutions retrace interior portions of the trajectory. All transfers created satisfy the conditions for optimality. The costs of transfers constructed using manifolds are compared to the costs of transfers constructed without the use of manifolds. In all cases, the total cost of the transfer is significantly lower when invariant manifolds are used in the transfer construction. In many cases, the transfers that employ invariant manifolds are three times more efficient, in terms of fuel expenditure, than the transfer that do not. The decrease in transfer cost is accompanied by an increase in transfer time of flight.

β-armchair antimony nanotube: Structure, stability and electronic properties

NASA Astrophysics Data System (ADS)

Singh, Shilpa; Gupta, Sanjeev K.; Sonvane, Yogesh; Gajjar, P. N.

2018-05-01

In the present work, we have used density functional theory (DFT) to investigate the structure, stability and electronic properties of β-armchair antimony nanotube (ASbNT). We have calculated formation energy and found that β-armchair antimony nanotube (ASbNT) is energetically less stable than β-antimonene. The result shows that β-ASbNT of higher diameter are more stable than nanotubes of lower diameter while electronic band structure shows semiconducting nature of these nanotubes.

Scalable Production of the Silicon-Tin Yin-Yang Hybrid Structure with Graphene Coating for High Performance Lithium-Ion Battery Anodes.

PubMed

Jin, Yan; Tan, Yingling; Hu, Xiaozhen; Zhu, Bin; Zheng, Qinghui; Zhang, Zijiao; Zhu, Guoying; Yu, Qian; Jin, Zhong; Zhu, Jia

2017-05-10

Alloy anodes possessed of high theoretical capacity show great potential for next-generation advanced lithium-ion battery. Even though huge volume change during lithium insertion and extraction leads to severe problems, such as pulverization and an unstable solid-electrolyte interphase (SEI), various nanostructures including nanoparticles, nanowires, and porous networks can address related challenges to improve electrochemical performance. However, the complex and expensive fabrication process hinders the widespread application of nanostructured alloy anodes, which generate an urgent demand of low-cost and scalable processes to fabricate building blocks with fine controls of size, morphology, and porosity. Here, we demonstrate a scalable and low-cost process to produce a porous yin-yang hybrid composite anode with graphene coating through high energy ball-milling and selective chemical etching. With void space to buffer the expansion, the produced functional electrodes demonstrate stable cycling performance of 910 mAh g -1 over 600 cycles at a rate of 0.5C for Si-graphene "yin" particles and 750 mAh g -1 over 300 cycles at 0.2C for Sn-graphene "yang" particles. Therefore, we open up a new approach to fabricate alloy anode materials at low-cost, low-energy consumption, and large scale. This type of porous silicon or tin composite with graphene coating can also potentially play a significant role in thermoelectrics and optoelectronics applications.

Towards deployable meta-implants.

PubMed

Bobbert, F S L; Janbaz, S; Zadpoor, A A

2018-06-07

Meta-biomaterials exhibit unprecedented or rare combinations of properties not usually found in nature. Such unusual mechanical, mass transport, and biological properties could be used to develop novel categories of orthopedic implants with superior performance, otherwise known as meta-implants. Here, we use bi-stable elements working on the basis of snap-through instability to design deployable meta-implants. Deployable meta-implants are compact in their retracted state, allowing them to be brought to the surgical site with minimum invasiveness. Once in place, they are deployed to take their full-size load-bearing shape. We designed five types of meta-implants by arranging bi-stable elements in such a way to obtain a radially-deployable structure, three types of auxetic structures, and an axially-deployable structure. The intermediate stable conditions ( i.e. multi-stability features), deployment force, and stiffness of the meta-implants were found to be strongly dependent on the geometrical parameters of the bi-stable elements as well as on their arrangement.

Stabilities of ant nests and their adjacent soils

NASA Astrophysics Data System (ADS)

Echezona, B. C.; Igwe, C. A.

2012-10-01

Nests habour ants and termites and protect them from harsh environmental conditions. The structural stabilities of nests were studied to ascertain their relative vulnerability to environmental stresses. Arboreal-ant nests were pried from different trees, while epigeous-termite nests were excavated from soil surface within the sample area. Soils without any visible sign of ant or termite activity were also sampled 6 m away from the nests as control. Laboratory analysis result showed that irrespective of the tree hosts, the aggregate stabilities of the ant nests were lower than those of the ground termite, with nests formed on Cola nitida significantly showing lower aggregate stability (19.7%) than other antnest structures. Clay dispersion ratio, moisture content, water stable aggregate class <0.25mm and sand mass were each negatively correlated with aggregate stability, while water stable aggregate class1.00-0.50 mm gave a positive correlation. Nest structures were dominated more by water stable aggregate class >2.00 mm but path analysis demonstrated that water stable aggregate class <0.25 mm contributed most to the higher aggregate stability of the termite nest than the other nest. Nest aggregates had greater structural stability compared to the control soil. The higher structural stability of termite nests over other nest and soil was considered a better adaptive mechanism against body desiccation.

An economic evaluation of pediatric small bowel transplantation in the United Kingdom.

PubMed

Longworth, Louise; Young, Tracey; Beath, Sue V; Kelly, Deirdre A; Mistry, Hema; Protheroe, Sue M; Ratcliffe, Julie; Buxton, Martin J

2006-08-27

Small bowel transplantation (SBTx) offers an alternative to parenteral nutrition (PN) for the treatment of chronic intestinal failure in children: this study estimated its cost-effectiveness in the early phase of a U.K. program. Children assessed for SBTx were categorized as: 1) requiring SBTx following PN-related complications (n=23), 2) stable at home not requiring SBTx (n=24), and 3) terminally ill and unsuitable for SBTx (n=6). Costs were estimated from detailed resource-use data. Two comparisons were used for effectiveness: actual survival following transplantation (n=14) compared to: 1) estimated survival without transplantation using a prognostic model, and 2) the waiting list experiences of all patients listed for SBTx (n=23). Mean costs up to 30 months were pounds sterling 207,000 for those transplanted or on the waiting list, pounds sterling 159,000 for those stable on home PN, and pounds sterling 56,000 for those terminally ill. The prognostic model estimated a mean survival gain from transplantation of 0.12 years over 30 months, and suggested that transplantation was cost-saving. The second approach suggested that transplantation reduced survival by 0.24 years at an additional cost of pounds sterling 131,000. Firm conclusions on cost-effectiveness of SBTx are not possible given the two different estimates. The prognostic model approach (suggesting that pediatric SBTx may provide a small survival benefit at a small reduction in costs) should be less subject to bias, but the model requires external validation. Meanwhile, children at risk of fatal PN-complications should be given the opportunity to receive a SBTx only within a continuing formal assessment of the technology.

The cost and burden of cancer in the European Union 1995-2014.

PubMed

Jönsson, Bengt; Hofmarcher, Thomas; Lindgren, Peter; Wilking, Nils

2016-10-01

There is an intense debate about the cost of cancer and the value of new treatments. However, there is limited data on the cost of cancer in the European Union (EU) and how costs relate to the burden of disease. This paper presents new estimates on the development of the cost of cancer in the EU 1995-2014, with a focus on the major cost components: total health expenditure, cancer drugs, and production loss due to premature mortality. Data on overall health expenditure were combined with national disease estimates to derive cancer-specific health expenditure. Data on drug sales were obtained from IMS Health, and epidemiological data were used to calculate life years lost due to cancer. Health expenditure on cancer increased continuously from €35.7 billion in 1995 to €83.2 billion in 2014 in the EU and spending on cancer drugs from €7.6 billion in 2005 to €19.1 billion in 2014 (current prices). Yet the share of total health expenditure devoted to cancer was mostly constant (around 6 per cent). While expenditures on cancer drugs increased in both absolute and relative terms, other expenditures were stable or decreased, despite increases in cancer incidence driven by a growing and ageing population. Reductions in cancer mortality during working age resulted in decreasing production loss due to premature mortality. Health spending on cancer as a share of total health expenditure is rather low and stable despite the growing incidence and relative burden of cancer. Problems to reallocate funding in health care systems under economic pressure may be one explanation and shifting costs from inpatient to ambulatory care another. Copyright © 2016 Elsevier Ltd. All rights reserved.

Physico-chemical analysis of tannery solid waste and structural characterization of its isolated humic acids after composting.

PubMed

Amir, Soumia; Benlboukht, Fatima; Cancian, Nadia; Winterton, Peter; Hafidi, Mohamed

2008-12-30

In Marrakech, solid by-products from tanneries are highly polluting, generating large amounts of nitrogenous and organic matter. In the present study composting is tested as a cost-effective method for waste management to overcome many of the environmental hazards and produce a stable, rich material for soil fertilization. Two composting trials were conducted after neutralization by ammonia or lime. The aim of the neutralization was to avoid the antimicrobial effects of the acidity in the tannery waste, thus ensuring correct composting. Different techniques such as elemental analysis and 13C NMR spectroscopy were applied to analyse humic acids isolated from raw and composted materials, and to monitor the process of tannery waste composting, and the stability and maturity of the final product according to the means of neutralization. Comparison of data showed similar behaviour in both trials, but the composting process appeared to be more complete following neutralization with lime. The C, H and N content decreased, while the O increased. The FTIR and 13C NMR spectra show the decrease of aliphatic compounds demonstrated by the reduction of absorbance around 2922cm(-1) and of the resonance in the C-alkyl area around 0-55ppm. The humic acids newly formed during composting were richer in the O-N alkyl and oxidized aromatic structures that increased almost twofold on composting after neutralization with lime. The first principal component axis PC1 (54%) separated C-aliphatic, C-carboxylic and other less stable and less polycondensed compounds such as polyphenols from the more polycondensed O-N alkyl and oxidized C-aromatic compounds.

The cluster Ir4 and its interaction with a hydrogen impurity. A density functional study.

PubMed

Bussai, Chuenchit; Krüger, Sven; Vayssilov, Georgi N; Rösch, Notker

2005-07-07

To contribute to the understanding of how iridium particles act as catalysts for hydrogenation and dehydrogenation of hydrocarbons, we have determined structures and binding energies of various isomers of Ir(4) as well as HIr(4) on the basis of relativistic density functional theory. The most stable isomer of Ir(4) showed a square planar structure with eight unpaired electrons. The tetrahedral structure, experimentally suggested for supported species, was calculated 49 kJ mol(-1) less stable. Hydrogen coordinates preferentially to a single Ir center of the planar cluster with a binding energy of up to 88 kJ mol(-1) with respect to the atom in the H(2) molecule. Terminal interaction of hydrogen with an Ir(4) tetrahedron causes the cluster to open to a butterfly structure. We calculated terminal binding of hydrogen at different Ir(4) isomers to be more stable than bridge coordination, at variance with earlier studies.

Optimal periodic proof test based on cost-effective and reliability criteria

NASA Technical Reports Server (NTRS)

Yang, J.-N.

1976-01-01

An exploratory study for the optimization of periodic proof tests for fatigue-critical structures is presented. The optimal proof load level and the optimal number of periodic proof tests are determined by minimizing the total expected (statistical average) cost, while the constraint on the allowable level of structural reliability is satisfied. The total expected cost consists of the expected cost of proof tests, the expected cost of structures destroyed by proof tests, and the expected cost of structural failure in service. It is demonstrated by numerical examples that significant cost saving and reliability improvement for fatigue-critical structures can be achieved by the application of the optimal periodic proof test. The present study is relevant to the establishment of optimal maintenance procedures for fatigue-critical structures.

Metabolite ratios to assumed stable creatine level may confound the quantification of proton brain MR spectroscopy.

PubMed

Li, Belinda S Y; Wang, Hao; Gonen, Oded

2003-10-01

In localized brain proton MR spectroscopy ((1)H-MRS), metabolites' levels are often expressed as ratios, rather than as absolute concentrations. Frequently, their denominator is the creatine [Cr], which level is explicitly assumed to be stable in normal as well as in many pathologic states. The rationale is that ratios self-correct for imager and localization method differences, gain instabilities, regional susceptibility variations and partial volume effects. The implicit assumption is that these benefits are worth their cost(w)-(w) propagation of the individual variation of each of the ratio's components. To test this hypothesis, absolute levels of N-acetylaspartate [NAA], choline [Cho] and [Cr] were quantified in various regions of the brains of 8 volunteers, using 3-dimensional (3D) (1)H-MRS at 1.5 T. The results show that in over 50% of approximately 2000 voxels examined, [NAA]/[Cr] and [Cho]/[Cr] exhibited higher coefficients of variations (CV) than [NAA] and [Cho] individually. Furthermore, in approximately 33% of these voxels, the ratios' CVs exceeded even the combined constituents' CVs. Consequently, basing metabolite quantification on ratios and assuming stable [Cr] introduces more variability into (1)H-MRS than it prevents. Therefore, its cost exceeds the benefit.

Strategies of offspring investment and dispersal in a spatially structured environment: a theoretical study using ants.

PubMed

Cronin, Adam L; Loeuille, Nicolas; Monnin, Thibaud

2016-02-05

Offspring investment strategies vary markedly between and within taxa, and much of this variation is thought to stem from the trade-off between offspring size and number. While producing larger offspring can increase their competitive ability, this often comes at a cost to their colonization ability. This competition-colonization trade-off (CCTO) is thought to be an important mechanism supporting coexistence of alternative strategies in a wide range of taxa. However, the relative importance of an alternative and possibly synergistic mechanism-spatial structuring of the environment-remains the topic of some debate. In this study, we explore the influence of these mechanisms on metacommunity structure using an agent-based model built around variable life-history traits. Our model combines explicit resource competition and spatial dynamics, allowing us to tease-apart the influence of, and explore the interaction between, the CCTO and the spatial structure of the environment. We test our model using two reproductive strategies which represent extremes of the CCTO and are common in ants. Our simulations show that colonisers outperform competitors in environments subject to higher temporal and spatial heterogeneity and are favoured when agents mature late and invest heavily in reproduction, whereas competitors dominate in low-disturbance, high resource environments and when maintenance costs are low. Varying life-history parameters has a marked influence on coexistence conditions and yields evolutionary stable strategies for both modes of reproduction. Nonetheless, we show that these strategies can coexist over a wide range of life-history and environmental parameter values, and that coexistence can in most cases be explained by a CCTO. By explicitly considering space, we are also able to demonstrate the importance of the interaction between dispersal and landscape structure. The CCTO permits species employing different reproductive strategies to coexist over a wide range of life-history and environmental parameters, and is likely to be an important factor in structuring ant communities. Our consideration of space highlights the importance of dispersal, which can limit the success of low-dispersers through kin competition, and enhance coexistence conditions for different strategies in spatially structured environments.

A multi-populations multi-strategies differential evolution algorithm for structural optimization of metal nanoclusters

NASA Astrophysics Data System (ADS)

Fan, Tian-E.; Shao, Gui-Fang; Ji, Qing-Shuang; Zheng, Ji-Wen; Liu, Tun-dong; Wen, Yu-Hua

2016-11-01

Theoretically, the determination of the structure of a cluster is to search the global minimum on its potential energy surface. The global minimization problem is often nondeterministic-polynomial-time (NP) hard and the number of local minima grows exponentially with the cluster size. In this article, a multi-populations multi-strategies differential evolution algorithm has been proposed to search the globally stable structure of Fe and Cr nanoclusters. The algorithm combines a multi-populations differential evolution with an elite pool scheme to keep the diversity of the solutions and avoid prematurely trapping into local optima. Moreover, multi-strategies such as growing method in initialization and three differential strategies in mutation are introduced to improve the convergence speed and lower the computational cost. The accuracy and effectiveness of our algorithm have been verified by comparing the results of Fe clusters with Cambridge Cluster Database. Meanwhile, the performance of our algorithm has been analyzed by comparing the convergence rate and energy evaluations with the classical DE algorithm. The multi-populations, multi-strategies mutation and growing method in initialization in our algorithm have been considered respectively. Furthermore, the structural growth pattern of Cr clusters has been predicted by this algorithm. The results show that the lowest-energy structure of Cr clusters contains many icosahedra, and the number of the icosahedral rings rises with increasing size.

Stable vortex-bright-soliton structures in two-component Bose-Einstein condensates.

PubMed

Law, K J H; Kevrekidis, P G; Tuckerman, Laurette S

2010-10-15

We report the numerical realization of robust two-component structures in 2D and 3D Bose-Einstein condensates with nontrivial topological charge in one component. We identify a stable symbiotic state in which a higher-dimensional bright soliton exists even in a homogeneous setting with defocusing interactions, due to the effective potential created by a stable vortex in the other component. The resulting vortex-bright-solitons, generalizations of the recently experimentally observed dark-bright solitons, are found to be very robust both in the homogeneous medium and in the presence of external confinement.

Graphitic nanofilms of zinc-blende materials: ab initio calculations

NASA Astrophysics Data System (ADS)

Hu, San-Lue; Zhao, Li; Li, Yan-Li

2017-12-01

Ab initio calculations on ultra-thin nanofilms of 25 kinds of zinc-blende semiconductors demonstrate their stable geometry structures growth along (1 1 1) surface. Our results show that the (1 1 1) surfaces of 9 kinds of zinc-blende semiconductors can transform into a stable graphitelike structure within a certain thickness. The tensile strain effect on the thickness of graphitic films is not obvious. The band gaps of stable graphitic films can be tuned over a wide range by epitaxial tensile strain, which is important for applications in microelectronic devices, solar cells and light-emitting diodes.

A concept of highly maneuverable experimental space (HIMES) vehicle

NASA Astrophysics Data System (ADS)

Nagatomo, M.; Naruo, Y.; Inatani, Y.

1985-10-01

The development of a highly maneuverable experimental space (HIMES) vehicle is proposed. This reusable sounding rocket is to be propelled by a liquid hydrogen/LOX engine, and have a maximum payload mass of 500 kg at an altitude of 300 km. The main subsystems of HIMES, the fuselage and wing structure, propulsion, and navigation, guidance, and control system, are described and a diagram is provided. The operational features of HIMES are defined by three mission models. In the first model the vehicle is used as a stable platform of low velocity relative to the environment; model two represents the suborbital flight of sounding rockets, and model three is used for orbital reentry experiments and the testing of a new system of winged space vehicles. Typical mission profiles for the three models are presented. A cost estimation of the HIMES vehicle is given.

Optimization design of wireless charging system for autonomous robots based on magnetic resonance coupling

NASA Astrophysics Data System (ADS)

Wang, Junhua; Hu, Meilin; Cai, Changsong; Lin, Zhongzheng; Li, Liang; Fang, Zhijian

2018-05-01

Wireless charging is the key technology to realize real autonomy of mobile robots. As the core part of wireless power transfer system, coupling mechanism including coupling coils and compensation topology is analyzed and optimized through simulations, to achieve stable and practical wireless charging suitable for ordinary robots. Multi-layer coil structure, especially double-layer coil is explored and selected to greatly enhance coupling performance, while shape of ferrite shielding goes through distributed optimization to guarantee coil fault tolerance and cost effectiveness. On the basis of optimized coils, primary compensation topology is analyzed to adopt composite LCL compensation, to stabilize operations of the primary side under variations of mutual inductance. Experimental results show the optimized system does make sense for wireless charging application for robots based on magnetic resonance coupling, to realize long-term autonomy of robots.

Growth of high-Sn content (28%) GeSn alloy films by sputtering epitaxy

NASA Astrophysics Data System (ADS)

Zheng, Jun; Liu, Zhi; Zhang, Yongwang; Zuo, Yuhua; Li, Chuanbo; Xue, Chunlai; Cheng, Buwen; Wang, Qiming

2018-06-01

Crystalline GeSn thin films with Sn content up to 0.28 were deposited on Sn graded GeSn buffer on a Ge substrate at low temperatures by sputtering epitaxy. The structural properties of the high-Sn content GeSn alloy films were characterized by high resolution transmission electron microscopy and X-ray diffraction. The effect of annealing on the segregation of Sn in the high-Sn content GeSn film was investigated, and both the Ge0.72Sn0.28 and the Ge0.8Sn0.2 films were found to be stable after annealing at temperatures below 400 °C, which meets the needs of thermal budget for future photonic devices fabrication. The present results indicate that sputtering epitaxy is cost-effective method for growing high-Sn GeSn films.

Facile Preparation of Nanostructured, Superhydrophobic Filter Paper for Efficient Water/Oil Separation

PubMed Central

Wang, Jianhua; Wong, Jessica X. H.; Kwok, Honoria; Li, Xiaochun; Yu, Hua-Zhong

2016-01-01

In this paper, we present a facile and cost-effective method to obtain superhydrophobic filter paper and demonstrate its application for efficient water/oil separation. By coupling structurally distinct organosilane precursors (e.g., octadecyltrichlorosilane and methyltrichlorosilane) to paper fibers under controlled reaction conditions, we have formulated a simple, inexpensive, and efficient protocol to achieve a desirable superhydrophobic and superoleophilic surface on conventional filter paper. The silanized superhydrophobic filter paper showed nanostructured morphology and demonstrated great separation efficiency (up to 99.4%) for water/oil mixtures. The modified filter paper is stable in both aqueous solutions and organic solvents, and can be reused multiple times. The present study shows that our newly developed binary silanization is a promising method of modifying cellulose-based materials for practical applications, in particular the treatment of industrial waste water and ecosystem recovery. PMID:26982055

Design, fabrication, and test of a Graphite/Epoxy Metering Shell (GEMS). [for the large space telescope

NASA Technical Reports Server (NTRS)

1975-01-01

A program to design, fabricate and test a dimensionally stable metering structure in support of the large space telescope (LST) program is discussed. Graphite/epoxy was the material selected as the only viable candidate material which can meet the stringent thermal expansion criteria of the LST. A metering shell was designed and fabricated, with emphasis on dimensional stability in conjunction with low cost. Thermal expansion test coupons extracted from the layups of the skin panels indicated the attainment of a coefficient of thermal expansion of 0.0666 micrometers/m K. Subsequent thermal vacuum chamber tests on the complete metering shell demonstrated an expansion of the 2.95-meter overall length of 0.27 micrometers/K. Static and dynamics tests, which demonstrated adequacy with respect to limit loads and stiffness, were also accomplished.

Lessons learned: Infrastructure development and financial management for large, publicly funded, international trials.

PubMed

Larson, Gregg S; Carey, Cate; Grarup, Jesper; Hudson, Fleur; Sachi, Karen; Vjecha, Michael J; Gordin, Fred

2016-04-01

Randomized clinical trials are widely recognized as essential to address worldwide clinical and public health research questions. However, their size and duration can overwhelm available public and private resources. To remain competitive in international research settings, advocates and practitioners of clinical trials must implement practices that reduce their cost. We identify approaches and practices for large, publicly funded, international trials that reduce cost without compromising data integrity and recommend an approach to cost reporting that permits comparison of clinical trials. We describe the organizational and financial characteristics of The International Network for Strategic Initiatives in Global HIV Trials, an infectious disease research network that conducts multiple, large, long-term, international trials, and examine challenges associated with simple and streamlined governance and an infrastructure and financial management model that is based on performance, transparency, and accountability. It is possible to reduce costs of participants' follow-up and not compromise clinical trial quality or integrity. The International Network for Strategic Initiatives in Global HIV Trials network has successfully completed three large HIV trials using cost-efficient practices that have not adversely affected investigator enthusiasm, accrual rates, loss-to-follow-up, adherence to the protocol, and completion of data collection. This experience is relevant to the conduct of large, publicly funded trials in other disease areas, particularly trials dependent on international collaborations. New approaches, or creative adaption of traditional clinical trial infrastructure and financial management tools, can render large, international clinical trials more cost-efficient by emphasizing structural simplicity, minimal up-front costs, payments for performance, and uniform algorithms and fees-for-service, irrespective of location. However, challenges remain. They include institutional resistance to financial change, growing trial complexity, and the difficulty of sustaining network infrastructure absent stable research work. There is also a need for more central monitoring, improved and harmonized regulations, and a widely applied metric for measuring and comparing cost efficiency in clinical trials. ClinicalTrials.gov is recommended as a location where standardized trial cost information could be made publicly accessible. © The Author(s) 2016.

100-mW high-power three-section tunable distributed Bragg reflector laser diodes with a real refractive-index-guided self-aligned structure

NASA Astrophysics Data System (ADS)

Takayama, Toru; Mochida, Atsunori; Orita, Kenji; Tamura, Satoshi; Ohnishi, Toshikazu; Yuri, Masaaki; Shimizu, Hirokazu

2002-05-01

High-power (>100mW) 820 nm-band distributed Bragg reflector (DBR) laser diodes (LDs) with stable fundamental transverse mode operation and continuous wavelength tuning characteristics have been developed. To obtain high-power LDs with a stable fundamental transverse mode in 820 nm wavelength range, an AlGaAs narrow stripe (2.0 micrometers ) real refractive-index-guided self-aligned (RISA) structure is utilized. In the RISA structure, the index step between inside and outside the stripe region ((Delta) n) can be precisely controlled in the order of 10-3). To maintain a stable fundamental transverse mode up to an output power over 100 mW, (Delta) n is designed to be 4x10-3. Higher-order transverse modes are effectively suppressed by a narrow stripe geometry. Further, to achieve continuous wavelength tuning capability, the three-section LD structure, which consists of the active (700micrometers ), phase control (300micrometers ), and DBR(500micrometers ) sections, is incorporated. Our DBR LDs show a maximum output power over 200mW with a stable fundamental transverse mode, and wavelength tuning characteristics ((Delta) (lambda) ~2nm) under 100 mW CW operation.

On the Possibility of using Alluminium-Magnesium Alloys with Improved Mechanical Characteristics for Body Elements of Zenit-2S Launch Vehicle Propellant Tanks

NASA Astrophysics Data System (ADS)

Sitalo, V.; Lytvyshko, T.

2002-01-01

Yuzhnoye SDO developed several generations of launch vehicles and spacecraft that are characterized by weight perfection, optimal cost, accuracy of output geometrical characteristics, stable strength characteristics, high tightness. The main structural material of launch vehicles are thermally welded non-strengthened aluminium- magnesium alloys. The aluminium-magnesium alloys in the annealed state have insufficiently high strength characteristics. Considerable increase of yield strength of sheets and plates can be reached by cold working but in this case, plasticity reduces. An effective way to improve strength of aluminium-magnesium alloys is their alloying with scandium. The alloying with scandium leads to modification of the structure of ingots (size reduction of cast grain) and formation of supersaturated solid solutions of scandium and aluminium during crystallization. During subsequent heatings (annealing of the ingots, heating for deformation) the solid solution disintegrates with the formation of disperse particles of Al3Sc type, that cause great strengthening of the alloy. High degree of dispersion and density of distribution in the matrix of secondary Al3Sc particles contribute to the considerable increase of the temperature of recrystallization of deformed intermediate products and to the formation of stable non-recrystallized structure. The alloying of alluminium-magnesium alloys with scandium increases their strength and operational characteristics, preserves their technological and corrosion properties, improves weldability. The alloys can be used within the temperature limits ­196-/+150 0C. The experimental structures of propellant tanks made of alluminium-magnesium alloys with scandium have been manufactured and tested. It was ascertained that the propellant tanks have higher margin of safety during loading with internal pressure and higher stability factor of the shrouds during loading with axial compression force which is caused by higher value of yield strength. The analysis of the performed work showed good prospects of using the alluminium-magnesium alloys with increased mechanical characteristics for making body elements of propellant tanks of the Zenit -2S launch vehicles. The use of these alloys can give the increase of structural strength by 20-30% and considerable increase of payload weight.

Population structure of the stable fly, Stomoxys calcitrans (L.) (Diptera: Muscidae) assessed on a global scale using Amplified Fragment Length Polymorphism

USDA-ARS?s Scientific Manuscript database

The stable fly, Stomoxys calcitrans (L.) (Diptera: Muscidae), is a major pest of livestock in the United States and worldwide. To assess the genetic variability in geographically distant stable flies, samples were obtained from four biogeographical regions: Nearctic, Neotropical, Palearctic, and Aus...

Structures of undecagold clusters: Ligand effect

NASA Astrophysics Data System (ADS)

Spivey, Kasi; Williams, Joseph I.; Wang, Lichang

2006-12-01

The most stable structure of undecagold, or Au 11, clusters was predicted from our DFT calculations to be planar [L. Xiao, L. Wang, Chem. Phys. Lett. 392 (2004) 452; L. Xiao, B. Tollberg, X. Hu, L. Wang, J. Chem. Phys. 124 (2005) 114309.]. The structures of ligand protected undecagold clusters were shown to be three-dimensional experimentally. In this work, we used DFT calculations to study the ligand effect on the structures of Au 11 clusters. Our results show that the most stable structure of Au 11 is in fact three-dimensional when SCH 3 ligands are attached. This indicates that the structures of small gold clusters are altered substantially in the presence of ligands.

Coulomb double helical structure

NASA Astrophysics Data System (ADS)

Kamimura, Tetsuo; Ishihara, Osamu

2012-01-01

Structures of Coulomb clusters formed by dust particles in a plasma are studied by numerical simulation. Our study reveals the presence of various types of self-organized structures of a cluster confined in a prolate spheroidal electrostatic potential. The stable configurations depend on a prolateness parameter for the confining potential as well as on the number of dust particles in a cluster. One-dimensional string, two-dimensional zigzag structure and three-dimensional double helical structure are found as a result of the transition controlled by the prolateness parameter. The formation of stable double helical structures resulted from the transition associated with the instability of angular perturbations on double strings. Analytical perturbation study supports the findings of numerical simulations.

Mechanistic Processes Controlling Gas Sorption in Shale Reservoirs

NASA Astrophysics Data System (ADS)

Schaef, T.; Loring, J.; Ilton, E. S.; Davidson, C. L.; Owen, T.; Hoyt, D.; Glezakou, V. A.; McGrail, B. P.; Thompson, C.

2014-12-01

Utilization of CO2 to stimulate natural gas production in previously fractured shale-dominated reservoirs where CO2 remains in place for long-term storage may be an attractive new strategy for reducing the cost of managing anthropogenic CO2. A preliminary analysis of capacities and potential revenues in US shale plays suggests nearly 390 tcf in additional gas recovery may be possible via CO2 driven enhanced gas recovery. However, reservoir transmissivity properties, optimum gas recovery rates, and ultimate fate of CO2 vary among reservoirs, potentially increasing operational costs and environmental risks. In this paper, we identify key mechanisms controlling the sorption of CH4 and CO2 onto phyllosilicates and processes occurring in mixed gas systems that have the potential of impacting fluid transfer and CO2 storage in shale dominated formations. Through a unique set of in situ experimental techniques coupled with molecular-level simulations, we identify structural transformations occurring to clay minerals, optimal CO2/CH4 gas exchange conditions, and distinguish between adsorbed and intercalated gases in a mixed gas system. For example, based on in situ measurements with magic angle spinning NMR, intercalation of CO2 within the montmorillonite structure occurs in CH4/CO2 gas mixtures containing low concentrations (<5 mol%) of CO2. A stable montmorillonite structure dominates during exposure to pure CH4 (90 bar), but expands upon titration of small fractions (1-3 mol%) of CO2. Density functional theory was used to quantify the difference in sorption behavior between CO2 and CH4 and indicates complex interactions occurring between hydrated cations, CH4, and CO2. The authors will discuss potential impacts of these experimental results on CO2-based hydrocarbon recovery processes.

Dynamical implications of bi-directional resource exchange within a meta-ecosystem.

PubMed

Messan, Marisabel Rodriguez; Kopp, Darin; Allen, Daniel C; Kang, Yun

2018-05-05

The exchange of resources across ecosystem boundaries can have large impacts on ecosystem structures and functions at local and regional scales. In this article, we develop a simple model to investigate dynamical implications of bi-directional resource exchanges between two local ecosystems in a meta-ecosystem framework. In our model, we assume that (1) Each local ecosystem acts as both a resource donor and recipient, such that one ecosystem donating resources to another results in a cost to the donating system and a benefit to the recipient; and (2) The costs and benefits of the bi-directional resource exchange between two ecosystems are correlated in a nonlinear fashion. Our model could apply to the resource interactions between terrestrial and aquatic ecosystems that are supported by the literature. Our theoretical results show that bi-directional resource exchange between two ecosystems can indeed generate complicated dynamical outcomes, including the coupled ecosystems having amensalistic, antagonistic, competitive, or mutualistic interactions, with multiple alternative stable states depending on the relative costs and benefits. In addition, if the relative cost for resource exchange for an ecosystem is decreased or the relative benefit for resource exchange for an ecosystem is increased, the production of that ecosystem would increase; however, depending on the local environment, the production of the other ecosystem may increase or decrease. We expect that our work, by evaluating the potential outcomes of resource exchange theoretically, can facilitate empirical evaluations and advance the understanding of spatial ecosystem ecology where resource exchanges occur in varied ecosystems through a complicated network. Copyright © 2018 Elsevier Inc. All rights reserved.

Evolutionary Dynamics on Protein Bi-stability Landscapes can Potentially Resolve Adaptive Conflicts

PubMed Central

Sikosek, Tobias; Bornberg-Bauer, Erich; Chan, Hue Sun

2012-01-01

Experimental studies have shown that some proteins exist in two alternative native-state conformations. It has been proposed that such bi-stable proteins can potentially function as evolutionary bridges at the interface between two neutral networks of protein sequences that fold uniquely into the two different native conformations. Under adaptive conflict scenarios, bi-stable proteins may be of particular advantage if they simultaneously provide two beneficial biological functions. However, computational models that simulate protein structure evolution do not yet recognize the importance of bi-stability. Here we use a biophysical model to analyze sequence space to identify bi-stable or multi-stable proteins with two or more equally stable native-state structures. The inclusion of such proteins enhances phenotype connectivity between neutral networks in sequence space. Consideration of the sequence space neighborhood of bridge proteins revealed that bi-stability decreases gradually with each mutation that takes the sequence further away from an exactly bi-stable protein. With relaxed selection pressures, we found that bi-stable proteins in our model are highly successful under simulated adaptive conflict. Inspired by these model predictions, we developed a method to identify real proteins in the PDB with bridge-like properties, and have verified a clear bi-stability gradient for a series of mutants studied by Alexander et al. (Proc Nat Acad Sci USA 2009, 106:21149–21154) that connect two sequences that fold uniquely into two different native structures via a bridge-like intermediate mutant sequence. Based on these findings, new testable predictions for future studies on protein bi-stability and evolution are discussed. PMID:23028272

Modal nudging in nonlinear elasticity: Tailoring the elastic post-buckling behaviour of engineering structures

NASA Astrophysics Data System (ADS)

Cox, B. S.; Groh, R. M. J.; Avitabile, D.; Pirrera, A.

2018-07-01

The buckling and post-buckling behaviour of slender structures is increasingly being harnessed for smart functionalities. Equally, the post-buckling regime of many traditional engineering structures is not being used for design and may therefore harbour latent load-bearing capacity for further structural efficiency. Both applications can benefit from a robust means of modifying and controlling the post-buckling behaviour for a specific purpose. To this end, we introduce a structural design paradigm termed modal nudging, which can be used to tailor the post-buckling response of slender engineering structures without any significant increase in mass. Modal nudging uses deformation modes of stable post-buckled equilibria to perturb the undeformed baseline geometry of the structure imperceptibly, thereby favouring the seeded post-buckling response over potential alternatives. The benefits of this technique are enhanced control over the post-buckling behaviour, such as modal differentiation for smart structures that use snap-buckling for shape adaptation, or alternatively, increased load-carrying capacity, increased compliance or a shift from imperfection sensitivity to imperfection insensitivity. Although these concepts are, in theory, of general applicability, we concentrate here on planar frame structures analysed using the nonlinear finite element method and numerical continuation procedures. Using these computational techniques, we show that planar frame structures may exhibit isolated regions of stable equilibria in otherwise unstable post-buckling regimes, or indeed stable equilibria entirely disconnected from the natural structural response. In both cases, the load-carrying capacity of these isolated stable equilibria is greater than the natural structural response of the frames. Using the concept of modal nudging it is possible to "nudge" the frames onto these equilibrium paths of greater load-carrying capacity. Due to the scale invariance of modal nudging, these findings may impact the design of structures from the micro- to the macro-scale.

Fabrication of Semi-Transparent Photovoltaic Cell by a Cost-Effective Technique

NASA Astrophysics Data System (ADS)

Nithyayini, K. N.; Ramasesha, Sheela K.

2015-09-01

Semi-transparent inorganic thin film PV cells have been fabricated using n-type (CdS) and p-type (CdTe) semiconductors. Large area devices which can be used as windows and skylights in buildings can be fabricated using cost effective solution processes. The device structure is Glass/TCO/CdTe/CdS/TCO. Chemically stable CdS and CdTe layers are deposited at temperatures 353 K to 373 K (80 °C to 100 °C) under controlled pH. The CdCl2 activation is carried out followed by air annealing. The p-n junction is formed by sintering the device at 673 K to 723 K (400 °C to 450 °C). The characterization of cells is carried out using XRD, SEM, AFM, and UV-Visible spectroscopy. The thickness of the cell is ~600 nm. The band gap values are 2.40 eV for CdS and 1.36 eV for CdTe with transmittance of about 70 pct in the visible region. Under 1.5 AM solar spectrum, V oc, and I sc of the initial device are 3.56e-01 V and 6.20e-04 A, respectively.

Flexible and Compressible PEDOT:PSS@Melamine Conductive Sponge Prepared via One-Step Dip Coating as Piezoresistive Pressure Sensor for Human Motion Detection.

PubMed

Ding, Yichun; Yang, Jack; Tolle, Charles R; Zhu, Zhengtao

2018-05-09

Flexible and wearable pressure sensor may offer convenient, timely, and portable solutions to human motion detection, yet it is a challenge to develop cost-effective materials for pressure sensor with high compressibility and sensitivity. Herein, a cost-efficient and scalable approach is reported to prepare a highly flexible and compressible conductive sponge for piezoresistive pressure sensor. The conductive sponge, poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)@melamine sponge (MS), is prepared by one-step dip coating the commercial melamine sponge (MS) in an aqueous dispersion of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). Due to the interconnected porous structure of MS, the conductive PEDOT:PSS@MS has a high compressibility and a stable piezoresistive response at the compressive strain up to 80%, as well as good reproducibility over 1000 cycles. Thereafter, versatile pressure sensors fabricated using the conductive PEDOT:PSS@MS sponges are attached to the different parts of human body; the capabilities of these devices to detect a variety of human motions including speaking, finger bending, elbow bending, and walking are evaluated. Furthermore, prototype tactile sensory array based on these pressure sensors is demonstrated.

Multishelled CaO Microspheres Stabilized by Atomic Layer Deposition of Al2 O3 for Enhanced CO2 Capture Performance.

PubMed

Armutlulu, Andac; Naeem, Muhammad Awais; Liu, Hsueh-Ju; Kim, Sung Min; Kierzkowska, Agnieszka; Fedorov, Alexey; Müller, Christoph R

2017-11-01

CO 2 capture and storage is a promising concept to reduce anthropogenic CO 2 emissions. The most established technology for capturing CO 2 relies on amine scrubbing that is, however, associated with high costs. Technoeconomic studies show that using CaO as a high-temperature CO 2 sorbent can significantly reduce the costs of CO 2 capture. A serious disadvantage of CaO derived from earth-abundant precursors, e.g., limestone, is the rapid, sintering-induced decay of its cyclic CO 2 uptake. Here, a template-assisted hydrothermal approach to develop CaO-based sorbents exhibiting a very high and cyclically stable CO 2 uptake is exploited. The morphological characteristics of these sorbents, i.e., a porous shell comprised of CaO nanoparticles coated by a thin layer of Al 2 O 3 (<3 nm) containing a central void, ensure (i) minimal diffusion limitations, (ii) space to accompany the substantial volumetric changes during CO 2 capture and release, and (iii) a minimal quantity of Al 2 O 3 for structural stabilization, thus maximizing the fraction of CO 2 -capture-active CaO. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tin anode for sodium-ion batteries using natural wood fiber as a mechanical buffer and electrolyte reservoir.

PubMed

Zhu, Hongli; Jia, Zheng; Chen, Yuchen; Weadock, Nicholas; Wan, Jiayu; Vaaland, Oeyvind; Han, Xiaogang; Li, Teng; Hu, Liangbing

2013-07-10

Sodium (Na)-ion batteries offer an attractive option for low cost grid scale storage due to the abundance of Na. Tin (Sn) is touted as a high capacity anode for Na-ion batteries with a high theoretical capacity of 847 mAh/g, but it has several limitations such as large volume expansion with cycling, slow kinetics, and unstable solid electrolyte interphase (SEI) formation. In this article, we demonstrate that an anode consisting of a Sn thin film deposited on a hierarchical wood fiber substrate simultaneously addresses all the challenges associated with Sn anodes. The soft nature of wood fibers effectively releases the mechanical stresses associated with the sodiation process, and the mesoporous structure functions as an electrolyte reservoir that allows for ion transport through the outer and inner surface of the fiber. These properties are confirmed experimentally and computationally. A stable cycling performance of 400 cycles with an initial capacity of 339 mAh/g is demonstrated; a significant improvement over other reported Sn nanostructures. The soft and mesoporous wood fiber substrate can be utilized as a new platform for low cost Na-ion batteries.

A crawling robot driven by multi-stable origami

NASA Astrophysics Data System (ADS)

Pagano, Alexander; Yan, Tongxi; Chien, Brian; Wissa, A.; Tawfick, S.

2017-09-01

Using origami folding to construct and actuate mechanisms and machines offers attractive opportunities from small, scalable, and cheap robots to deployable adaptive structures. This paper presents the design of a bio-inspired origami crawling robot constructed by folding sheets of paper. The origami building block structure is based on the Kresling crease pattern (CP), a chiral tower with a polygonal base, which expands and contracts through coupled longitudinal and rotational motion similar to a screw. We design the origami to have multi-stable structural equilibria which can be tuned by changing the folding CP. Kinematic analysis of these structures based on rigid-plates and hinges at fold lines precludes the shape transformation associated with the bistability of the physical models. To capture the kinematics of the bi-stable origami, the panels’ deformation behavior is modeled utilizing principles of virtual folds. Virtual folds approximate material bending by hinged, rigid panels, which facilitates the development of a kinematic solution via rigid-plate rotation analysis. As such, the kinetics and stability of folded structures are investigated by assigning suitable torsional spring constants to the fold lines. The results presented demonstrate the effect of fold-pattern geometries on the snapping behavior of the bi-stable origami structure based on the Kresling pattern. The crawling robot is presented as a case study for the use of this origami structure to mimic crawling locomotion. The robot is comprised of two origami towers nested inside a paper bellow, and connected by 3D printed end plates. DC motors are used to actuate the expansion and contraction of the internal origami structures to achieve forward locomotion and steering. Beyond locomotion, this simple design can find applications in manipulators, booms, and active structures.

Rapid green synthesis of spherical gold nanoparticles using Mangifera indica leaf

NASA Astrophysics Data System (ADS)

Philip, Daizy

2010-11-01

This paper reports the rapid biological synthesis of spherical gold nanoparticles at room temperature using fresh/dry leaf extract of Mangifera indica. This is a simple, cost-effective, stable for long time and reproducible aqueous synthesis method to obtain a self-assembly of nearly monodispersed Au nanoparticles of size ˜20 nm and 17 nm. The nanoparticles were obtained within 2 min of addition of the extract to the solution of HAuCl 4·3H 2O and the colloid is found to be stable for more than 5 months. Smaller and more uniformly distributed particles could be obtained with dried leaf extract. The nanoparticles obtained are characterized by UV-vis, transmission electron microscopy (TEM) and X-ray diffraction (XRD). Crystalline nature of the nanoparticles in the fcc structure is confirmed by the peaks in the XRD pattern corresponding to (1 1 1), (2 0 0), (2 2 0), (3 1 1) and (2 2 2) planes, bright circular spots in the selected area electron diffraction (SAED) and clear lattice fringes in the high-resolution TEM image. The possible biomolecules responsible for efficient stabilization are suggested by studying the FTIR spectrum of the sample. This environmentally benign method provides much faster synthesis and colloidal stability comparable to those of chemical reduction.

Cauliflower-like SnO2 hollow microspheres as anode and carbon fiber as cathode for high performance quantum dot and dye-sensitized solar cells.

PubMed

Ganapathy, Veerappan; Kong, Eui-Hyun; Park, Yoon-Cheol; Jang, Hyun Myung; Rhee, Shi-Woo

2014-03-21

Cauliflower-like tin oxide (SnO2) hollow microspheres (HMS) sensitized with multilayer quantum dots (QDs) as photoanode and alternative stable, low-cost counter electrode are employed for the first time in QD-sensitized solar cells (QDSCs). Cauliflower-like SnO2 hollow spheres mainly consist of 50 nm-sized agglomerated nanoparticles; they possess a high internal surface area and light scattering in between the microspheres and shell layers. This makes them promising photoanode material for both QDSCs and dye-sensitized solar cells (DSCs). Successive ionic layer adsorption and reaction (SILAR) method and chemical bath deposition (CBD) are used for QD-sensitizing the SnO2 microspheres. Additionally, carbon-nanofiber (CNF) with a unique structure is used as an alternative counter electrode (CE) and compared with the standard platinum (Pt) CE. Their electrocatalytic properties are measured using electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and Tafel-polarization. Under 1 sun illumination, solar cells made with hollow SnO2 photoanode sandwiched with the stable CNF CE showed a power conversion efficiency of 2.5% in QDSCs and 3.0% for DSCs, which is quite promising with the standard Pt CE (QDSCs: 2.1%, and DSCs: 3.6%).

Stable, low cost SAW microwave transmitter

NASA Astrophysics Data System (ADS)

Lau, K. F.; Yen, K. H.

1986-06-01

The design flexibility and application possibilities of surface acoustic wave (SAW) technology is discussed. When a highly stable, AM-modulated transmitter is required, a SAW resonator can provide an oscillator Q of up to 20,000 at 1 GHz. When FM modulation is required, the SAW delay line can provide a lower oscillator Q, which represents the optimum tradeoff between frequency stability and FM modulability. The capabilities of SAW oscillators are reviewed, and two example transmitters are presented. One transmitter operates at 1680 MHz and provides an AM-modulated signal. The second operates at the 400 to 406 MHz range and provides an FM-modulated output at one of six frequencies. SAW transmitters are suitable for applications where moderately high stability and low cost are key factors. With direct generation of signals at microwave frequencies and the flexibility of SAW oscillator design, a wide range of performance characteristics can be achieved.

Resonance between a Prolate and a Superprolate Structure of the 162Er Nucleus

PubMed Central

Pauling, Linus; Blethen, John

1974-01-01

Observed energy levels of 162Er from the normal state J = 0 to the excited rotational state J = 18 correspond to values of the moment of inertia and rotational frequency that indicate that a pronounced change in structure occurs at about J = 14. It is shown that the observed values agree well with the values calculated on the assumption that there is resonance between a more stable prolate structure with a core of two spherons and a less stable superprolate structure with a core of three spherons in line. PMID:16592173

A THEORETICAL STUDY OF BISTABILITY OF POLYDIACETYLENE:. TCDU(poly(5,7-dodecadiyne-1,12-diyl-bis-phenylurethane)

NASA Astrophysics Data System (ADS)

Katagiri, Hideki; Shimoi, Yukihiro; Abe, Shuji

2001-08-01

We performed a first-principles calculation of typical polydiacetylene (PDA), TCDU (poly(5,7-dodecadiyne-1,12-diyl-bis-phenylurethane)). Potential energy curves (PEC's) as a function of two bond lengths of the backbone chain are presented. The present PEC's show that TCDU has only an acetylene-type stable structure and a butatriene-type structure is unstable, consistent with our previous calculations with a geometry optimization procedure. This result is in contrast to the case of a hypothetical hydrogen-substituted PDA where a butatriene-type structure is obtained as a meta-stable structure.

A THEORETICAL STUDY OF BISTABILITY OF POLYDIACETYLENE:. TCDU(poly(5,7-dodecadiyne-1,12-diyl-bis-phenylurethane)

NASA Astrophysics Data System (ADS)

Katagiri, Hideki; Shimoi, Yukihiro; Abe, Shuji

We performed a first-principles calculation of typical polydiacetylene (PDA), TCDU (poly(5,7-dodecadiyne-1,12-diyl-bis-phenylurethane)). Potential energy curves (PEC's) as a function of two bond lengths of the backbone chain are presented. The present PEC's show that TCDU has only an acetylene-type stable structure and a butatriene-type structure is unstable, consistent with our previous calculations with a geometry optimization procedure. This result is in contrast to the case of a hypothetical hydrogen-substituted PDA where a butatriene-type structure is obtained as a meta-stable structure.

Strategic Approach To Produce Low-Cost, Efficient, and Stable Competitive Internal Controls for Detection of RNA Viruses by Use of Reverse Transcription-PCR▿

PubMed Central

Villanova, Gabriela V.; Gardiol, Daniela; Taborda, Miguel A.; Reggiardo, Virginia; Tanno, Hugo; Rivadeneira, Emilia D.; Perez, Germán R.; Giri, Adriana A.

2007-01-01

Molecular diagnostics based on reverse transcription (RT)-PCR are routinely complicated by the lack of stable internal controls, leading to falsely negative results. We describe a strategy to produce a stable competitive internal control (CIC) based on a Qβ phage derivative (recombinant Qβ [rQβ]) bearing primers KY78 and KY80, which are widely used in the detection of hepatitis C virus (HCV). rQβ was RNase resistant and stable at 4°C for 452 days in SM medium (0.1 M NaCl, 8 mM MgSO4·7H2O, 50 mM Tris HCl [pH 7.5], 2% gelatin) and for 125 days after lyophilization and reconstitution. rQβ performance as a CIC was evaluated. rQβ was added to HCV-positive samples, followed by RNA extraction and a CIC-HCV RT-PCR assay. This method combines RT-PCR, liquid hybridization with nonradioactive probes, and enzyme immunoanalysis. No influence of the CIC on qualitative HCV detection was observed independently of viral load, and results had high concordance with those of commercial kits. In conclusion, we describe a versatile, low-cost alternative strategy to armored RNA technology that can be adapted for detection or real-time applications of any RNA target. Moreover, the CIC reported here is an essential reagent for HCV screening in blood banks in resource-limited settings. PMID:17699653

Strategic approach to produce low-cost, efficient, and stable competitive internal controls for detection of RNA viruses by use of reverse transcription-PCR.

PubMed

Villanova, Gabriela V; Gardiol, Daniela; Taborda, Miguel A; Reggiardo, Virginia; Tanno, Hugo; Rivadeneira, Emilia D; Perez, Germán R; Giri, Adriana A

2007-11-01

Molecular diagnostics based on reverse transcription (RT)-PCR are routinely complicated by the lack of stable internal controls, leading to falsely negative results. We describe a strategy to produce a stable competitive internal control (CIC) based on a Qbeta phage derivative (recombinant Qbeta [rQbeta]) bearing primers KY78 and KY80, which are widely used in the detection of hepatitis C virus (HCV). rQbeta was RNase resistant and stable at 4 degrees C for 452 days in SM medium (0.1 M NaCl, 8 mM MgSO(4).7H(2)O, 50 mM Tris HCl [pH 7.5], 2% gelatin) and for 125 days after lyophilization and reconstitution. rQbeta performance as a CIC was evaluated. rQbeta was added to HCV-positive samples, followed by RNA extraction and a CIC-HCV RT-PCR assay. This method combines RT-PCR, liquid hybridization with nonradioactive probes, and enzyme immunoanalysis. No influence of the CIC on qualitative HCV detection was observed independently of viral load, and results had high concordance with those of commercial kits. In conclusion, we describe a versatile, low-cost alternative strategy to armored RNA technology that can be adapted for detection or real-time applications of any RNA target. Moreover, the CIC reported here is an essential reagent for HCV screening in blood banks in resource-limited settings.

Applying Organizational Learning Research to Accountable Care Organizations.

PubMed

Nembhard, Ingrid M; Tucker, Anita L

2016-12-01

To accomplish the goal of improving quality of care while simultaneously reducing cost, Accountable Care Organizations (ACOs) need to find new and better ways of providing health care to populations of patients. This requires implementing best practices and improving collaboration across the multiple entities involved in care delivery, including patients. In this article, we discuss seven lessons from the organizational learning literature that can help ACOs overcome the inherent challenges of learning how to work together in radically new ways. The lessons involve setting expectations, creating a supportive culture, and structuring the improvement efforts. For example, with regard to setting expectations, framing the changes as learning experiences rather than as implementation projects encourages the teams to utilize helpful activities, such as dry runs and pilot tests. It is also important to create an organizational culture where employees feel safe pointing out improvement opportunities and experimenting with new ways of working. With regard to structure, stable, cross-functional teams provide a powerful building block for effective improvement efforts. The article concludes by outlining opportunities for future research on organizational learning in ACOs. © The Author(s) 2016.

Effects of sequential treatment with fluorine and bromine on graphite fibers

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh; Stahl, Mark; Maciag, Carolyn; Slabe, Melissa

1987-01-01

Three pitch based graphite fibers with different degrees of graphitization and one polyacryonitrile (PAN) based carbon fiber from Amoco Corporation were treated with 1 atm, room temperature fluorine gas for 90 hrs. Fluorination resulted in higher electrical conductivity for all pitch fibers. Further bromination after ambient condition defluorination resulted in further increases in electrical defluorination conductivity for less graphitized, less structurally ordered pitch fibers (P-55) which contain about 3% fluorine by weight before bromination. This product can be stable in 200 C air, or 100% humidity at 60 C. Due to its low cost, this less graphitized fiber may be useful for industrial application, such as airfoil deicer materials. The same bromination process, however, resulted in conductivity decreases for fluorine rich, more graphitized, structurally oriented pitch fibers (P-100 and P-75). Such decreases in electrical conductivity were partially reversed by heating the fibers at 185 C in air. Differential scanning calorimetric (DSC) data indicated that the more graphitized fibers (P-100) contained BrF3, whereas the less graphitized fibers (P-55) did not.

Self-Assembly of Emulsion Droplets into Polymer Chains

NASA Astrophysics Data System (ADS)

Bargteil, Dylan; McMullen, Angus; Brujic, Jasna

We experimentally investigate `beads-on-a-string' models of polymers using the spontaneous assembly of emulsion droplets into linear chains. Droplets functionalized with surface-mobile DNA allow for programmable 'monomers' through which we can influence the three-dimensional structure of the assembled 'polymer'. Such model polymers can be used to study conformational changes of polypeptides and the principles governing protein folding. In our system, we find that droplets bind via complementary DNA strands that are recruited into adhesion patches. Recruitment is driven by the DNA hybridization energy, and is limited by the energy cost of surface deformation and the entropy loss of the mobile linkers, yielding adhesion patches of a characteristic size with a given number of linkers. By tuning the initial surface coverage of linkers, we control valency between the droplets to create linear or branched polymer chains. We additionally control the flexibility of the model polymers by varying the salt concentration and study their dynamics between extended and collapsed states. This system opens the possibility of programming stable three-dimensional structures, such as those found within folded proteins.

Modeling of a viscoelastic damper and its application in structural control.

PubMed

Mehrabi, M H; Suhatril, Meldi; Ibrahim, Zainah; Ghodsi, S S; Khatibi, Hamed

2017-01-01

Conventional seismic rehabilitation methods may not be suitable for some buildings owing to their high cost and time-consuming foundation work. In recent years, viscoelastic dampers (VEDs) have been widely used in many mid- and high-rise buildings. This study introduces a viscoelastic passive control system called rotary rubber braced damper (RRBD). The RRBD is an economical, lightweight, and easy-to-assemble device. A finite element model considering nonlinearity, large deformation, and material damage is developed to conduct a parametric study on different damper sizes under pushover cyclic loading. The fundamental characteristics of this VED system are clarified by analyzing building structures under cyclic loading. The result show excellent energy absorption and stable hysteresis loops in all specimens. Additionally, by using a sinusoidal shaking table test, the effectiveness of the RRBD to manage the response displacement and acceleration of steel frames is considered. The RRBD functioned at early stages of lateral displacement, indicating that the system is effective for all levels of vibration. Moreover, the proposed damper shows significantly better performance in terms of the column compression force resulting from the brace action compared to chevron bracing (CB).

Asymmetric triplex metallohelices with high and selective activity against cancer cells

NASA Astrophysics Data System (ADS)

Faulkner, Alan D.; Kaner, Rebecca A.; Abdallah, Qasem M. A.; Clarkson, Guy; Fox, David J.; Gurnani, Pratik; Howson, Suzanne E.; Phillips, Roger M.; Roper, David I.; Simpson, Daniel H.; Scott, Peter

2014-09-01

Small cationic amphiphilic α-helical peptides are emerging as agents for the treatment of cancer and infection, but they are costly and display unfavourable pharmacokinetics. Helical coordination complexes may offer a three-dimensional scaffold for the synthesis of mimetic architectures. However, the high symmetry and modest functionality of current systems offer little scope to tailor the structure to interact with specific biomolecular targets, or to create libraries for phenotypic screens. Here, we report the highly stereoselective asymmetric self-assembly of very stable, functionalized metallohelices. Their anti-parallel head-to-head-to-tail ‘triplex’ strand arrangement creates an amphipathic functional topology akin to that of the active sub-units of, for example, host-defence peptides and p53. The metallohelices display high, structure-dependent toxicity to the human colon carcinoma cell-line HCT116 p53++, causing dramatic changes in the cell cycle without DNA damage. They have lower toxicity to human breast adenocarcinoma cells (MDA-MB-468) and, most remarkably, they show no significant toxicity to the bacteria methicillin-resistant Staphylococcus aureus and Escherichia coli.

Balancing income and cost in red deer management.

PubMed

Skonhoft, Anders; Veiberg, Vebjørn; Gauteplass, Asle; Olaussen, Jon Olaf; Meisingset, Erling L; Mysterud, Atle

2013-01-30

This paper presents a bioeconomic analysis of a red deer population within a Norwegian institutional context. This population is managed by a well-defined manager, typically consisting of many landowners operating in a cooperative manner, with the goal of maximizing the present-value hunting related income while taking browsing and grazing damages into account. The red deer population is structured in five categories of animals (calves, female and male yearlings, adult females and adult males). It is shown that differences in the per-animal meat values and survival rates ('biological discounted' values) are instrumental in determining the optimal harvest composition. Fertility plays no direct role. It is argued that this is a general result working in stage-structured models with harvest values. In the numerical illustration it is shown that the optimal harvest pattern stays quite stable under various parameter changes. It is revealed which parameters and harvest restrictions that is most important. We also show that the current harvest pattern involves too much yearling harvest compared with the economically efficient level. Copyright © 2012 Elsevier Ltd. All rights reserved.

Facile synthesis of polypyrrole functionalized nickel foam with catalytic activity comparable to Pt for the poly-generation of hydrogen and electricity

NASA Astrophysics Data System (ADS)

Tang, Tiantian; Li, Kan; Shen, Zhemin; Sun, Tonghua; Wang, Yalin; Jia, Jinping

2016-01-01

Polypyrrole functionalized nickel foam is facilely prepared through the potentiostatic electrodeposition. The PPy-functionalized Ni foam functions as a hydrogen-evolution cathode in a rotating disk photocatalytic fuel cell, in which hydrogen energy and electric power are generated by consuming organic wastes. The PPy-functionalized Ni foam cathode exhibits stable catalytic activities after thirteen continuous runs. Compared with net or plate structure, the Ni foam with a unique three-dimensional reticulate structure is conducive to the electrodeposition of PPy. Compared with Pt-group electrode, PPy-coated Ni foam shows a satisfactory catalytic performance for the H2 evolution. The combination of PPy and Ni forms a synergistic effect for the rapid trapping and removal of proton from solution and the catalytic reduction of proton to hydrogen. The PPy-functionalized Ni foam could be applied in photocatalytic and photoelectrochemical generation of H2. In all, we report a low cost, high efficient and earth abundant PPy-functionalized Ni foam with a satisfactory catalytic activities comparable to Pt for the practical application of poly-generation of hydrogen and electricity.

Consumer Cost-Sharing in Marketplace vs. Employer Health Insurance Plans, 2015.

PubMed

Gabel, Jon; Whitmore, Heidi; Green, Matthew; Stromberg, Sam; Oran, Rebecca

2015-12-01

Using data from 49 states and Washington, D.C., we analyzed changes in cost-sharing under health plans offered to individuals and families through state and federal exchanges from 2014 to 2015. We examined eight vehicles for cost-sharing, including deductibles, copayments, coinsurance, and out-of-pocket limits, and compared findings with cost-sharing under employer-based insurance. We found cost-sharing under marketplace plans remained essentially unchanged from 2014 to 2015. Stable premiums during that period do not reflect greater costs borne by enrollees. Further, 56 percent of enrollees in marketplace plans attained cost-sharing reductions in 2015. However, for people without cost-sharing reductions, average copayments, deductibles, and out-of-pocket limits under catastrophic, bronze, and silver plans are considerably higher than under employer-based plans on average, while cost-sharing under gold plans is similar employer-based plans on average. Marketplace plans are far more likely than employer-based plans to require enrollees to meet deductibles before they receive coverage for prescription drugs.

Numerical study of the electronic structure, elastic and optical properties of defect quaternary semiconductor CuGaSnSe4

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Lu, Hai; Zhang, Xianzhou; Jiao, Zhaoyong

2018-06-01

The electronic structure, elastic and optical properties of the defect quaternary semiconductor CuGaSnSe4 in I 4 bar structure are systematically investigated using first-principles calculations. We summarize and discuss some of the studies on CuGaSnSe4 in partially ordered chalcopyrite structure and find that there are three atomic arrangements so far, but it is still uncertain which is the most stable. Through detailed simulation and comparison with the corresponding literature, we get three models and predict that M1 model should be the most stable. The band structure and optical properties of compound CuGaSnSe4, including dielectric constant, refractive index and absorption spectrum, are drawn for a more intuitive understanding. The elastic constants are also calculated, which not only prove that CuGaSnSe4 in I 4 bar structure is stable naturally but also help solve the problem of no data to accurately predict axial thermal expansion coefficients. The calculated values of the zero frequency dielectric constant and refractive index are comparable to those of the corresponding chalcopyrite structure but slightly larger.

Structural studies of TiC{sub 1−x}O{sub x} solid solution by Rietveld refinement and first-principles calculations

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

Jiang, Bo, E-mail: youqin5912@yahoo.com.cn; Hou, Na; Huang, Shanyan

2013-08-15

The lattice parameters, structural stability and electronic structure of titanium oxycarbides (TiC{sub 1−x}O{sub x}, 0≤x≤1) solid solution were investigated by Rietveld refinement and first-principles calculations. Series of TiC{sub 1−x}O{sub x} were precisely synthesized by sintering process under the vacuum. Rietveld refinement results of XRD patterns show the properties of continuous solid solution in TiC{sub 1−x}O{sub x} over the whole composition range. The lattice parameters vary from 0.4324 nm to 0.4194 nm decreasing with increasing oxygen concentration. Results of first-principles calculations reveal that the disorder C/O structure is stable than the order C/O structure. Further investigations of the vacancy in Ti{submore » 1−Va}(C{sub 1−x}O{sub x}){sub 1−Va} solid solution present that the structure of vacancy segregated in TiO-part is more stable than the disorder C/O structure, which can be ascribed to the Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy via the analysis of the electron density difference plots and PDOS. - Graphical abstract: XRD of series of titanium oxycarbides (TiC{sub 1−x}O{sub x}, 0≤x≤1) solid solution prepared by adjusting the proportion of TiO in the starting material. Highlights: • Titanium oxycarbides were obtained by sintering TiO and TiC under carefully controlled conditions. • Rietveld refinement results show continuous solid solution with FCC structure in TiC{sub 1−x}O{sub x}. • The disorder C/O structure is stable than the order C/O structure. • Introduction of vacancy segregated in TiO-part is more stable than disorder C/O structure. • Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy enhance structural stability.« less

Structure and stability of molybdenum sulfide fullerenes.

PubMed

Bar-Sadan, M; Enyashin, A N; Gemming, S; Popovitz-Biro, R; Hong, S Y; Prior, Yehiam; Tenne, R; Seifert, G

2006-12-21

MoS2 nanooctahedra are believed to be the smallest stable closed-cage structures of MoS2, i.e., the genuine inorganic fullerenes. Here a combination of experiments and density functional tight binding calculations with molecular dynamics annealing are used to elucidate the structures and electronic properties of octahedral MoS2 fullerenes. Through the use of these calculations MoS2 octahedra were found to be stable beyond nMo > 100 but with the loss of 12 sulfur atoms in the six corners. In contrast to bulk and nanotubular MoS2, which are semiconductors, the Fermi level of the nanooctahedra is situated within the band, thus making them metallic-like. A model is used for extending the calculations to much larger sizes. These model calculations show that, in agreement with experiment, the multiwall nanooctahedra are stable over a limited size range of 104-105 atoms, whereupon they are converted into multiwall MoS2 nanoparticles with a quasi-spherical shape. On the experimental side, targets of MoS2 and MoSe2 were laser-ablated and analyzed mostly through transmission electron microscopy. This analysis shows that, in qualitative agreement with the theoretical analysis, multilayer nanooctahedra of MoS2 with 1000-25 000 atoms (Mo + S) are stable. Furthermore, this and previous work show that beyond approximately 105 atoms fullerene-like structures with quasi-spherical forms and 30-100 layers become stable. Laser-ablated WS2 samples yielded much less faceted and sometimes spherically symmetric nanocages.

Study of structural, elastic, electronic and optical properties of seven SrZrO{sub 3} phases: First-principles calculations

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

Liu, Qi-Jun, E-mail: dianerliu@yahoo.com.cn; Liu, Zheng-Tang; Feng, Li-Ping

2012-12-15

On the plane-wave ultrasoft pseudopotential technique based on the first-principles density functional theory (DFT), we calculated the structural, elastic, electronic and optical properties of the seven different phases of SrZrO{sub 3}. The obtained ground-state properties are in good agreement with previous experiments and calculations, which indicate that the most stable phase is orthorhombic Pnma structure. Seven phases of SrZrO{sub 3} are mechanically stable with cubic, tetragonal and orthorhombic structures. The mechanical and thermodynamic properties have been obtained by using the Voigt-Reuss-Hill approach and Debye-Grueneisen model. The electronic structures and optical properties are obtained and compared with the available experimental andmore » theoretical data. - Graphical abstract: Energy versus volume of seven phases SrZrO{sub 3} shows the Pnma phase has the minimum ground-state energy. Highlights: Black-Right-Pointing-Pointer We calculated the physical and chemical properties of seven SrZrO{sub 3} polymorphs. Black-Right-Pointing-Pointer The order of stability is Pnma>Imma>Cmcm>I4/mcm>P4/mbm>P4mm>Pm3-bar m. Black-Right-Pointing-Pointer The most stable phase is orthorhombic Pnma structure. Black-Right-Pointing-Pointer Seven phases of SrZrO{sub 3} are mechanically stable. Black-Right-Pointing-Pointer The relationship between n and {rho}{sub m} is n=1+0.18{rho}{sub m}.« less

Stable structures of microparticles in the electrodynamic trap created by the corona discharge

NASA Astrophysics Data System (ADS)

Vladimirov, V. I.; Deputatova, L. V.; Filinov, V. S.; Lapitsky, D. S.; Pecherkin, V. Ya; Syrovatka, R. A.; Vasilyak, L. M.; Petrov, O. F.

2018-01-01

For the first time the stable structures of microparticles in a dynamic linear trap with corona electrodes have been obtained. The possibility for capturing and confining of microparticles in a linear electrodynamic trap with corona electrodes at atmospheric pressure has been studied experimentally. The corona discharge on the electrodes of the trap was generated by an alternating electric field.

Coping with Prescription Drug Cost Sharing: Knowledge, Adherence, and Financial Burden

PubMed Central

Reed, Mary; Brand, Richard; Newhouse, Joseph P; Selby, Joe V; Hsu, John

2008-01-01

Objective Assess patient knowledge of and response to drug cost sharing. Study Setting Adult members of a large prepaid, integrated delivery system. Study Design/Data Collection Telephone interviews with 932 participants (72 percent response rate) who reported knowledge of the structures and amounts of their prescription drug cost sharing. Participants reported cost-related changes in their drug adherence, any financial burden, and other cost-coping behaviors. Actual cost sharing amounts came from administrative databases. Principal Findings Overall, 27 percent of patients knew all of their drug cost sharing structures and amounts. After adjustment for individual characteristics, additional patient cost sharing structures (tiers and caps), and higher copayment amounts were associated with reporting decreased adherence, financial burden, or other cost-coping behaviors. Conclusions Patient knowledge of their drug benefits is limited, especially for more complex cost sharing structures. Patients also report a range of responses to greater cost sharing, including decreasing adherence. PMID:18370979

Dynamic Risk Assessment of Sexual Offenders: Validity and Dimensional Structure of the Stable-2007.

PubMed

Etzler, Sonja; Eher, Reinhard; Rettenberger, Martin

2018-02-01

In this study, the predictive and incremental validity of the Stable-2007 beyond the Static-99 was evaluated in an updated sample of N = 638 adult male sexual offenders followed-up for an average of M = 8.2 years. Data were collected at the Federal Evaluation Center for Violent and Sexual Offenders (FECVSO) in Austria within a prospective-longitudinal research design. Scores and risk categories of the Static-99 (AUC = .721; p < .001) and of the Stable-2007 (AUC = .623, p = .005) were found to be significantly related to sexual recidivism. The Stable-2007 risk categories contributed incrementally to the prediction of sexual recidivism beyond the Static-99. Analyzing the dimensional structure of the Stable-2007 yielded three factors, named Antisociality, Sexual Deviance, and Hypersexuality. Antisociality and Sexual Deviance were significant predictors for sexual recidivism. Sexual Deviance was negatively associated with non-sexual violent recidivism. Comparisons with latent dimensions of other risk assessment instruments are made and implications for applied risk assessment are discussed.

High efficiency and stable white OLED using a single emitter

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

Li, Jian

2016-01-18

The ultimate objective of this project was to demonstrate an efficient and stable white OLED using a single emitter on a planar glass substrate. The focus of the project is on the development of efficient and stable square planar phosphorescent emitters and evaluation of such class of materials in the device settings. Key challenges included improving the emission efficiency of molecular dopants and excimers, controlling emission color of emitters and their excimers, and improving optical and electrical stability of emissive dopants. At the end of this research program, the PI has made enough progress to demonstrate the potential of excimer-basedmore » white OLED as a cost-effective solution for WOLED panel in the solid state lighting applications.« less

Thermal, Structural, and Optical Analysis of a Balloon-Based Imaging System

NASA Astrophysics Data System (ADS)

Borden, Michael; Lewis, Derek; Ochoa, Hared; Jones-Wilson, Laura; Susca, Sara; Porter, Michael; Massey, Richard; Clark, Paul; Netterfield, Barth

2017-03-01

The Subarcsecond Telescope And BaLloon Experiment, STABLE, is the fine stage of a guidance system for a high-altitude ballooning platform designed to demonstrate subarcsecond pointing stability over one minute using relatively dim guide stars in the visible spectrum. The STABLE system uses an attitude rate sensor and the motion of the guide star on a detector to control a Fast Steering Mirror to stabilize the image. The characteristics of the thermal-optical-mechanical elements in the system directly affect the quality of the point-spread function of the guide star on the detector, so a series of thermal, structural, and optical models were built to simulate system performance and ultimately inform the final pointing stability predictions. This paper describes the modeling techniques employed in each of these subsystems. The results from those models are discussed in detail, highlighting the development of the worst-case cold and hot cases, the optical metrics generated from the finite element model, and the expected STABLE residual wavefront error and decenter. Finally, the paper concludes with the predicted sensitivities in the STABLE system, which show that thermal deadbanding, structural pre-loading, and self-deflection under different loading conditions, and the speed of individual optical elements were particularly important to the resulting STABLE optical performance.

Development of a design methodology for asphalt treated mixtures.

DOT National Transportation Integrated Search

2013-12-01

This report summarizes the results of a study that was conducted to develop a simplified design methodology for asphalt : treated mixtures that are durable, stable, constructible, and cost effective through the examination of the performance of : mix...

Maple Flooring - How Architects View it

Treesearch

Gary R. Lindell

1971-01-01

In a study of architects'' opinions of maple flooring versus vinyl asbestos tile for school gymnasuims, resiliency and durability were found to be important factors favoring maple whereas vinyl asbestos tile was felt to be less costly and more dimesionally stable.

Nepetalactones from essential oil of Nepeta cataria represent a stable fly feeding and oviposition repellent.

PubMed

Zhu, J J; Berkebile, D R; Dunlap, C A; Zhang, A; Boxler, D; Tangtrakulwanich, K; Behle, R W; Baxendale, F; Brewer, G

2012-06-01

The stable fly, Stomoxys calcitrans (L.) (Diptera: Muscidae), is one of the most serious pests to livestock. It feeds mainly on cattle and causes significant economic losses in the cattle industry. Standard stable fly control involving insecticides and sanitation is usually costly and often has limited effectiveness. As we continue to evaluate and develop safer fly control strategies, the present study reports on the effectiveness of catnip (Nepeta cataria L.) oil and its constituent compounds, nepetalactones, as stable fly repellents. The essential oil of catnip reduced the feeding of stable flies by >96% in an in vitro bioassay system, compared with other sesquiterpene-rich plant oils (e.g. amyris and sandalwood). Catnip oil demonstrated strong repellency against stable flies relative to other chemicals for repelling biting insects, including isolongifolenone, 2-methylpiperidinyl-3-cyclohexen-1-carboxamide and (1S,2'S)-2-methylpiperidinyl-3-cyclohexen-1-carboxamide. The repellency against stable flies of the most commonly used mosquito repellent, DEET, was relatively low. In field trials, two formulations of catnip oil provided >95% protection and were effective for up to 6 h when tested on cattle. Catnip oil also acted as a strong oviposition repellent and reduced gravid stable fly oviposition by 98%. Published 2011. This article is a U.S. Government work and is in the public domain in the USA.

The Structure of the Protonated Serine Octamer.

PubMed

Scutelnic, Valeriu; Perez, Marta A S; Marianski, Mateusz; Warnke, Stephan; Gregor, Aurelien; Rothlisberger, Ursula; Bowers, Michael T; Baldauf, Carsten; von Helden, Gert; Rizzo, Thomas R; Seo, Jongcheol

2018-06-20

The amino acid serine has long been known to form a protonated "magic-number" cluster containing eight monomer units that shows an unusually high abundance in mass spectra and has a remarkable homochiral preference. Despite many experimental and theoretical studies, there is no consensus on a Ser 8 H + structure that is in agreement with all experimental observations. Here, we present the structure of Ser 8 H + determined by a combination of infrared spectroscopy and ab initio molecular dynamics simulations. The three-dimensional structure that we determine is ∼25 kcal mol -1 more stable than the previous most stable published structure and explains both the homochiral preference and the experimentally observed facile replacement of two serine units.

Electronic and mechanical properties of 5d transition metal mononitrides via first principles

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

Zhao Erjun; Graduate School, Chinese Academy of Sciences, Beijing 100049; Wu Zhijian

2008-10-15

The electronic and mechanical properties of 5d transition metal mononitrides from LaN to AuN are systematically investigated by use of the density-functional theory. For each nitride, six structures are considered, i.e., rocksalt, zinc blende, CsCl, wurtzite, NiAs and WC structures. Among the considered structures, rocksalt structure is the most stable for LaN, HfN and AuN, WC structure for TaN, NiAs structure for WN, wurtzite structure for ReN, OsN, IrN and PtN. The most stable structure for each nitride is mechanically stable. The formation enthalpy increases from LaN to AuN. For LaN, HfN and TaN, the formation enthalpy is negative formore » all the considered structures, while from WN to AuN, except wurtzite structure in ReN, the formation enthalpy is positive. The calculated density of states shows that they are all metallic. ReN in NiAs structure has the largest bulk modulus, 418 GPa. The largest shear modulus 261 GPa is from TaN in WC structure. Trends are discussed. - Graphical abstract: Formation enthalpy per formula unit {delta}H (eV) for all the considered structures of 5d transition metal mononitrides MN (M=La-Au). It was shown that the formation enthalpy increases from LaN to AuN. The nitrides with negative values indicate that they can be synthesized experimentally at ambient conditions.« less

Structural assembly in space

NASA Technical Reports Server (NTRS)

Stokes, J. W.; Pruett, E. C.

1980-01-01

A cost algorithm for predicting assembly costs for large space structures is given. Assembly scenarios are summarized which describe the erection, deployment, and fabrication tasks for five large space structures. The major activities that impact total costs for structure assembly from launch through deployment and assembly to scientific instrument installation and checkout are described. Individual cost elements such as assembly fixtures, handrails, or remote minipulators are also presented.

Recombinant Phage Probes for Salmonella Typhimurium Detection

DTIC Science & Technology

2005-03-23

food safety analysis that are slower, labor-intensive, and cost-inefficient. Confirmation of presence in food products can take as long as 48 hours by conventional culture. Current rapid detection initiatives include biosensors that routinely incorporate antibodies as the biorecognition unit. Although sensitive and specific, antibodies are costly and may degrade under unfavorable environmental conditions. We believe that a stable, inexpensive substitute for antibodies is filamentous phage manipulated through phage display technique then affinity selected for specificity to

To compare growth outcomes and cost-effectiveness of "Kangaroo ward care" with "intermediate intensive care" in stable extremely low birth weight infants: randomized control trial.

PubMed

Sharma, Deepak; Murki, Srinivas; Pratap, Oleti Tejo

2017-07-01

To compare growth outcome and cost-effectiveness of "Kangaroo ward care" (KWC) with "Intermediate intensive care" (IIC) in stable extremely low birth weight (ELBW) infants. This is secondary analysis of the study and we analyzed 62 ELBW infants, 33 were randomized to KWC and 29 to IIC once the infant reached a weight of 1150 g. Infants in the KWC group were shifted to the Kangaroo ward immediately after randomization and in the IIC group received IIC care till they attain a weight of 1250 g before shifting to Kangaroo ward. The gain in weight (g/day), length (cm/week), and head circumference (cm/week) were comparable between the two groups. The mean weight, length, and head circumference were comparable at term gestational age. The infants in KWC group were shifted five days earlier to Kangaroo ward when compared to IIC group. The cost-effective analysis using "top-down" and "bottom-up" accounting method showed that there was significant reduction of hospital and parents expenditure in KWC group (p < 0.001) with approximate saving of 452 USD for each patient in the KWC group. Early shifting of ELBW infants for KWC is very efficacious and cost-effective intervention when compared to IIC. (CTRI/2014/05/004625).

Efficacy and safety of a conversion from the original tacrolimus and mycophenolate mofetil to the generics Tacpan® and Mowel® after liver transplantation

PubMed Central

Vollmar, Johanna; Bellmann, Maren Christina; Darstein, Felix; Hoppe-Lotichius, Maria; Mittler, Jens; Heise, Michael; Rüttger, Bernd; Weyer, Veronika; Zimmermann, Anca; Lang, Hauke; Galle, Peter R; Zimmermann, Tim

2015-01-01

Background Expensive pharmaceuticals are a major reason for cost intensive health care systems. Long-term immunosuppressive therapy plays a relevant role after organ transplantation. Patents of original drugs have expired and cheaper products are available. Little data are available regarding efficacy and safety of generic immunosuppressive agents. Methods In this prospective study, 25 patients, who were clinically stable for a minimum of 2 years after liver transplantation, were converted from the original formulations of tacrolimus (TAC) and mycophenolate mofetil to the generics Tacpan® (TAP) and Mowel® (MOW). Patients were followed-up for 6 months. Results were compared retrospectively to 25 age- and sex-matched controls treated with the original brands. Results In the matched-pair analysis of TAC trough level/dose ratio, no significant difference was found between TAP/MOW and TAC/mycophenolate mofetil groups. No acute rejection occurred in either group. In total, 17 patients reported mild side effects in the TAP/MOW group. The most common side effects were gastrointestinal symptoms. Intra-individual analysis of costs revealed a considerable cost reduction in the TAP/MOW group (in median 25.03%; P<0.001). Conclusion In summary, the use of the generics TAP/MOW is effective and seems to be safe and cost-efficient in stable liver-transplantation patients. PMID:26604701

Economic analysis of the use of coronary calcium scoring as an alternative to stress ECG in the non-invasive diagnosis of coronary artery disease.

PubMed

Raman, Vivek; McWilliams, Eric T M; Holmberg, Stephen R M; Miles, Ken

2012-03-01

To conduct an economic analysis (EA) of coronary calcium scoring (CCS) using a 0 score, as alternative to stress electrocardiography (sECG) in diagnosing coronary artery disease (CAD). A decision tree was constructed to compare four strategies for investigation of suspected CAD previously assessed in the formulation of clinical guidelines for the United Kingdom (UK) to two new strategies incorporating CCS. Sensitivity (96%; 95% CI 95.4-96.4%) and specificity (40%; 95% CI 38.7-41.4%) values for CCS were derived from a meta-analysis of 10,760 patients. Other input variables were obtained from a previous EA and average prices for hospital procedures in the UK. A threshold of £30,000/Quality-adjusted Life Year (QALY) was considered cost-effective. Using net monetary benefit calculations, CCS-based strategies were found to be cost-effective compared to sECG equivalents at all assessed prevalence of CAD. Using CCS prior to myocardial perfusion scintigraphy (MPS) and catheter angiography (CA) was found to be cost-effective at pre-test probabilities (PTP) below 30%. Adoption of CCS as an alternative to sECG in investigating suspected stable angina in low PTP population (<30%) would be cost-effective. In patients with PTP of CAD >30%, proceeding to MPS or CA would be more cost-effective than performing either CCS or sECG. Coronary calcium scoring (CCS) is useful for assessing coronary artery atherosclerosis It can be performed with multi-detector CT, which is now widely available It plays a role in excluding disease in suspected stable angina Our study assesses its role in this setting as alternative to stress-ECG Adoption of CCS as an alternative to sECG could prove cost-effective.

Life comparative analysis of energy consumption and CO₂ emissions of different building structural frame types.

PubMed

Kim, Sangyong; Moon, Joon-Ho; Shin, Yoonseok; Kim, Gwang-Hee; Seo, Deok-Seok

2013-01-01

The objective of this research is to quantitatively measure and compare the environmental load and construction cost of different structural frame types. Construction cost also accounts for the costs of CO₂ emissions of input materials. The choice of structural frame type is a major consideration in construction, as this element represents about 33% of total building construction costs. In this research, four constructed buildings were analyzed, with these having either reinforced concrete (RC) or steel (S) structures. An input-output framework analysis was used to measure energy consumption and CO₂ emissions of input materials for each structural frame type. In addition, the CO₂ emissions cost was measured using the trading price of CO₂ emissions on the International Commodity Exchange. This research revealed that both energy consumption and CO₂ emissions were, on average, 26% lower with the RC structure than with the S structure, and the construction costs (including the CO₂ emissions cost) of the RC structure were about 9.8% lower, compared to the S structure. This research provides insights through which the construction industry will be able to respond to the carbon market, which is expected to continue to grow in the future.

Co-Percolating Graphene-Wrapped Silver Nanowire Network for High Performance, Highly Stable, Transparent Conducting Electrodes

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

Chen, Ruiyi; Das, Suprem R.; Jeong, Changwook

Transparent conducting electrodes (TCEs) require high transparency and low sheet resistance for applications in photovoltaics, photodetectors, flat panel displays, touch screen devices and imagers. Indium tin oxide (ITO), or other transparent conductive oxides, have typically been used, and provide a baseline sheet resistance (RS) vs. transparency (T) relationship. However, ITO is relatively expensive (due to limited abundance of Indium), brittle, unstable, and inflexible; moreover, ITO transparency drops rapidly for wavelengths above 1000 nm. Motivated by a need for transparent conductors with comparable (or better) RS at a given T, as well as flexible structures, several alternative material systems have beenmore » investigated. Single-layer graphene (SLG) or few-layer graphene provide sufficiently high transparency (≈97% per layer) to be a potential replacement for ITO. However, large-area synthesis approaches, including chemical vapor deposition (CVD), typically yield films with relatively high sheet resistance due to small grain sizes and high-resistance grain boundaries (HGBs). In this paper, we report a hybrid structure employing a CVD SLG film and a network of silver nanowires (AgNWs): RS as low as 22 Ω/ (stabilized to 13 Ω/ after 4 months) have been observed at high transparency (88% at λ = 550 nm) in hybrid structures employing relatively low-cost commercial graphene with a starting RS of 770 Ω/. This sheet resistance is superior to typical reported values for ITO, comparable to the best reported TCEs employing graphene and/or random nanowire networks, and the film properties exhibit impressive stability under mechanical pressure, mechanical bending and over time. The design is inspired by the theory of a co-percolating network where conduction bottlenecks of a 2D film (e.g., SLG, MoS2) are circumvented by a 1D network (e.g., AgNWs, CNTs) and vice versa. The development of these high-performance hybrid structures provides a route towards robust, scalable and low-cost approaches for realizing high-performance TCE.« less

SAIL--stereo-array isotope labeling.

PubMed

Kainosho, Masatsune; Güntert, Peter

2009-11-01

Optimal stereospecific and regiospecific labeling of proteins with stable isotopes enhances the nuclear magnetic resonance (NMR) method for the determination of the three-dimensional protein structures in solution. Stereo-array isotope labeling (SAIL) offers sharpened lines, spectral simplification without loss of information and the ability to rapidly collect and automatically evaluate the structural restraints required to solve a high-quality solution structure for proteins up to twice as large as before. This review gives an overview of stable isotope labeling methods for NMR spectroscopy with proteins and provides an in-depth treatment of the SAIL technology.

Inorganic nanotubes and fullerenes . Structure and properties of hypothetical phosphorus fullerenes

NASA Astrophysics Data System (ADS)

Seifert, G.; Heine, T.; Fowler, P. W.

The possibility of stable non-carbon fullerenes is discussed for the case of phosphorus fullerene-like cage structures. On the basis of Density Functional Tight Binding calculations it is shown that many such cages correspond to metastable structures, but with increasing nuclearity become less stable with respect to separate molecular P4 units. Stability rules, known for carbon fullerenes, such as the ``isolated pentagon rule'', do not reflect the different electronic and steric requirements of the phosphorus atom. The computational results tend to rule out phosphorus fullerenes.

Design of Multistable Origami Structures

NASA Astrophysics Data System (ADS)

Gillman, Andrew; Fuchi, Kazuko; Bazzan, Giorgio; Reich, Gregory; Alyanak, Edward; Buskohl, Philip

Origami is being transformed from an art to a mathematically robust method for device design in a variety of scientific applications. These structures often require multiple stable configurations, e.g. efficient well-controlled deployment. However, the discovery of origami structures with mechanical instabilities is challenging given the complex geometric nonlinearities and the large design space to investigate. To address this challenge, we have developed a topology optimization framework for discovering origami fold patterns that realize stable and metastable positions. The objective function targets both the desired stable positions and nonlinear loading profiles of specific vertices in the origami structure. Multistable compliant structures have been shown to offer advantages in their stability and efficiency, and certain origami fold patterns exhibit multistable behavior. Building on this previous work of single vertex multistability analysis, e.g. waterbomb origami pattern, we are expanding the solution set of multistable mechanisms to include multiple vertices and a broader set of reference configurations. Collectively, these results enable an initial classification of geometry-induced mechanical instabilities that can be programmed into active material systems. This work was supported by the Air Force Office of Scientific Research.

Fabrication of stable, wide-bandgap thin films of Mg, Zn and O

DOEpatents

Katiyar, Ram S.; Bhattacharya, Pijush; Das, Rasmi R.

2006-07-25

A stable, wide-bandgap (approximately 6 eV) ZnO/MgO multilayer thin film is fabricated using pulsed-laser deposition on c-plane Al₂O₃ substrates. Layers of ZnO alternate with layers of MgO. The thickness of MgO is a constant of approximately 1 nm; the thicknesses of ZnO layers vary from approximately 0.75 to 2.5 nm. Abrupt structural transitions from hexagonal to cubic phase follow a decrease in the thickness of ZnO sublayers within this range. The band gap of the thin films is also influenced by the crystalline structure of multilayer stacks. Thin films with hexagonal and cubic structure have band-gap values of 3.5 and 6 eV, respectively. In the hexagonal phase, Mg content of the films is approximately 40%; in the cubic phase Mg content is approximately 60%. The thin films are stable and their structural and optical properties are unaffected by annealing at 750.degree. C.

Sc20C60: a volleyballene

NASA Astrophysics Data System (ADS)

Wang, Jing; Ma, Hong-Man; Liu, Ying

2016-06-01

An exceptionally stable hollow cage containing 20 scandium atoms and 60 carbon atoms has been identified. This Sc20C60 molecular cluster has a Th point group symmetry and a volleyball-like shape that we refer to below as ``Volleyballene''. Electronic structure analysis shows that the formation of delocalized π bonds between Sc atoms and the neighboring pentagonal rings made of carbon atoms is crucial for stabilizing the cage structure. A relatively large HOMO-LUMO gap (~1.4 eV) was found. The results of vibrational frequency analysis and molecular dynamics simulations both demonstrate that this Volleyballene molecule is exceptionally stable.An exceptionally stable hollow cage containing 20 scandium atoms and 60 carbon atoms has been identified. This Sc20C60 molecular cluster has a Th point group symmetry and a volleyball-like shape that we refer to below as ``Volleyballene''. Electronic structure analysis shows that the formation of delocalized π bonds between Sc atoms and the neighboring pentagonal rings made of carbon atoms is crucial for stabilizing the cage structure. A relatively large HOMO-LUMO gap (~1.4 eV) was found. The results of vibrational frequency analysis and molecular dynamics simulations both demonstrate that this Volleyballene molecule is exceptionally stable. Electronic supplementary information (ESI) available: Sc20C60: a Volleyballene_SI. See DOI: 10.1039/c5nr07784b

A Reaction-Diffusion Model for Synapse Growth and Long-Term Memory

NASA Astrophysics Data System (ADS)

Liu, Kang; Lisman, John; Hagan, Michael

Memory storage involves strengthening of synaptic transmission known as long-term potentiation (LTP). The late phase of LTP is associated with structural processes that enlarge the synapse. Yet, synapses must be stable, despite continual subunit turnover, over the lifetime of an encoded memory. These considerations suggest that synapses are variable-size stable structure (VSSS), meaning they can switch between multiple metastable structures with different sizes. The mechanisms underlying VSSS are poorly understood. While experiments and theory have suggested that the interplay between diffusion and receptor-scaffold interactions can lead to a preferred stable size for synaptic domains, such a mechanism cannot explain how synapses adopt widely different sizes. Here we develop a minimal reaction-diffusion model of VSSS for synapse growth, incorporating the recent observation from super-resolution microscopy that neural activity can build compositional heterogeneities within synaptic domains. We find that introducing such heterogeneities can change the stable domain size in a controlled manner. We discuss a potential connection between this model and experimental data on synapse sizes, and how it provides a possible mechanism to structurally encode graded long-term memory. We acknowledge the support from NSF INSPIRE Award number IOS-1526941 (KL, MFH, JL) and the Brandeis Center for Bioinspired Soft Materials, an NSF MRSEC, DMR- 1420382 (MFH).

Precise side-chain conformation analysis of L-phenylalanine in α-helical polypeptide by quantum-chemical calculation and 13C CP-MAS NMR measurement

NASA Astrophysics Data System (ADS)

Niimura, Subaru; Suzuki, Junya; Kurosu, Hiromichi; Yamanobe, Takeshi; Shoji, Akira

2010-04-01

To clarify the positive role of side-chain conformation in the stability of protein secondary structure (main-chain conformation), we successfully calculated the optimization structure of a well-defined α-helical octadecapeptide composed of L-alanine (Ala) and L-phenylalanine (Phe) residues, H-(Ala) 8-Phe-(Ala) 9-OH, based on the molecular orbital calculation with density functional theory (DFT/B3LYP/6-31G(d)). From the total energy and the precise secondary structural parameters such as main-chain dihedral angles and hydrogen-bond parameters of the optimized structure, we confirmed that the conformational stability of an α-helix is affected dominantly by the side-chain conformation ( χ1) of the Phe residue in this system: model A ( T form: around 180° of χ1) is most stable in α-helix and model B ( G + form: around -60° of χ1) is next stable, but model C ( G - form: around 60° of χ1) is less stable. In addition, we demonstrate that the stable conformation of poly( L-phenylalanine) is an α-helix with the side-chain T form, by comparison of the carbonyl 13C chemical shift measured by 13C CP-MAS NMR and the calculated one.

Indirect reciprocity can overcome free-rider problems on costly moral assessment.

PubMed

Sasaki, Tatsuya; Okada, Isamu; Nakai, Yutaka

2016-07-01

Indirect reciprocity is one of the major mechanisms of the evolution of cooperation. Because constant monitoring and accurate evaluation in moral assessments tend to be costly, indirect reciprocity can be exploited by cost evaders. A recent study crucially showed that a cooperative state achieved by indirect reciprocators is easily destabilized by cost evaders in the case with no supportive mechanism. Here, we present a simple and widely applicable solution that considers pre-assessment of cost evaders. In the pre-assessment, those who fail to pay for costly assessment systems are assigned a nasty image that leads to them being rejected by discriminators. We demonstrate that considering the pre-assessment can crucially stabilize reciprocal cooperation for a broad range of indirect reciprocity models. In particular for the most leading social norms, we analyse the conditions under which a prosocial state becomes locally stable. © 2016 The Authors.

A novel heuristic for optimization aggregate production problem: Evidence from flat panel display in Malaysia

NASA Astrophysics Data System (ADS)

Al-Kuhali, K.; Hussain M., I.; Zain Z., M.; Mullenix, P.

2015-05-01

Aim: This paper contribute to the flat panel display industry it terms of aggregate production planning. Methodology: For the minimization cost of total production of LCD manufacturing, a linear programming was applied. The decision variables are general production costs, additional cost incurred for overtime production, additional cost incurred for subcontracting, inventory carrying cost, backorder costs and adjustments for changes incurred within labour levels. Model has been developed considering a manufacturer having several product types, which the maximum types are N, along a total time period of T. Results: Industrial case study based on Malaysia is presented to test and to validate the developed linear programming model for aggregate production planning. Conclusion: The model development is fit under stable environment conditions. Overall it can be recommended to adapt the proven linear programming model to production planning of Malaysian flat panel display industry.

SWALE RESEARCH AT NRMRL’S URBAN WATERSHED RESEARCH FACILITY

EPA Science Inventory

Swales are “engineered ditches” that provide stable routing for stormwater runoff. Swales are green infrastructure, a low-cost drainage option for highways, farms, industrial, and commercial areas. Beyond enhancing local aesthetics, swales mitigate the pollutants carried by the...

APPROACHES FOR DETERMINING SWALE PERFORMANCE FOR STORMWATER RUNOFF

EPA Science Inventory

Swales are “engineered vegetated ditches” that provide stable routing for stormwater runoff and a low-cost drainage option for highways, farms, industrial sites, and commercial areas. It is reported in the literature that swales mitigate runoff-carried pollutants, red...

Contoured Orifice for Silicon-Ribbon Die

NASA Technical Reports Server (NTRS)

Mackintosh, B. H.

1985-01-01

Die configuration encourages purity and stable growth. Contour of die orifice changes near ribbon edges. As result, silicon ribbon has nearly constant width and little carbon contamination. Die part of furnace being developed to produce high-quality, low-cost material for solar cells.

Transient analysis of gas transport in anode channel of a polymer electrolyte membrane fuel cell with dead-ended anode under pressure swing operation

NASA Astrophysics Data System (ADS)

Ichikawa, Yasushi; Oshima, Nobuyuki; Tabuchi, Yuichiro; Ikezoe, Keigo

2014-12-01

Further cost reduction is a critical issue for commercialization of fuel-cell electric vehicles (FCEVs) based on polymer electrolyte fuel cells (PEFCs). The cost of the fuel-cell system is driven by the multiple parts required to maximize stack performance and maintain durability and robustness. The fuel-cell system of the FCEV must be simplified while maintaining functionality. The dead-ended anode is considered as a means of simplification in this study. Generally, if hydrogen is supplied under constant pressure during dead-ended operation, stable power generation is impossible because of accumulation of liquid water produced by power generation and of nitrogen via leakage from the cathode through the membrane. Herein, pressure oscillation is applied to address this issue. Empirical and CFD data are employed to elucidate the mechanism of stable power generation using the pressure swing supply. Simultaneous and time-continuous measurements of the current distribution and gas concentration distribution are also conducted. The results demonstrate that the nitrogen concentration in the anode channel under pressure constant operation differs from that under pressure swing supply conditions. The transient two-dimensional CFD results indicate that oscillatory flow is generated by pressure swing supply, which periodically sweeps out nitrogen from the active area, resulting in stable power generation.

Engineering radical polymer electrodes for electrochemical energy storage

NASA Astrophysics Data System (ADS)

Nevers, Douglas R.; Brushett, Fikile R.; Wheeler, Dean R.

2017-06-01

In principle a wide range of organic materials can store energy in the form of reversible redox conversions of stable radicals. Such chemistry holds great promise for energy storage applications due to high theoretical capacities, high rate capabilities, intrinsic structural tunability, and the possibility of low-cost "green" syntheses from renewable sources. There have been steady improvements in the design of organic radical polymers, in which radicals are incorporated into the backbone and/or as pendant groups. This review highlights opportunities for improved redox molecule and polymer design along with the key challenges (e.g., transport phenomena, solubility, and reaction mechanisms) to transitioning known organic radicals into high-performance electrodes. Ultimately, organic-based batteries are still a nascent field with many open questions. Further advances in molecular design, electrode engineering, and device architecture will be required for these systems to reach their full potential and meet the diverse and increasing demands for energy storage.

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

Vijayakumar, M.; Luo, Qingtao; Lloyd, Ralph

The microstructure of the perfluorinated sulfonic acid proton exchange membranes such as Nafion significantly affects their transport properties and performance in a vanadium redox flow battery (VRB). In this work, Nafion membranes with various equivalent weights (EW) ranging from 1000 to 1500 are prepared and the structure-property-performance relationship is investigated. Nuclear magnetic resonance (NMR) and small-angle X-ray scattering (SAXS) studies revealed their composition and morphology variances, which lead to major differences in key transport properties related to proton conduction and vanadium ion permeation. Their performances are further characterized as VRB membranes. Based on those understanding, a new perfluorosulfonic acid membranemore » is designed with optimal pore geometry and thickness, leading to higher ion selectivity and lower cost compared with the widely used Nafion® 115. Excellent VRB single-cell performance (89.3% energy efficiency at 50mA∙cm-2) was achieved along with a stable cyclical capacity over prolonged cycling.« less

A biomimetic redox flow battery based on flavin mononucleotide

PubMed Central

Orita, Akihiro; Verde, Michael G.; Sakai, Masanori; Meng, Ying Shirley

2016-01-01

The versatility in design of redox flow batteries makes them apt to efficiently store energy in large-scale applications at low cost. The discovery of inexpensive organic electroactive materials for use in aqueous flow battery electrolytes is highly attractive, but is thus far limited. Here we report on a flow battery using an aqueous electrolyte based on the sodium salt of flavin mononucleotide. Flavins are highly versatile electroactive molecules, which catalyse a multitude of redox reactions in biological systems. We use nicotinamide (vitamin B3) as a hydrotropic agent to enhance the water solubility of flavin mononucleotide. A redox flow battery using flavin mononucleotide negative and ferrocyanide positive electrolytes in strong base shows stable cycling performance, with over 99% capacity retention over the course of 100 cycles. We hypothesize that this is enabled due to the oxidized and reduced forms of FMN-Na being stabilized by resonance structures. PMID:27767026

Environmental degradation and remediation: is economics part of the problem?

PubMed

Dore, Mohammed H I; Burton, Ian

2003-01-01

It is argued that standard environmental economic and 'ecological economics', have the same fundamentals of valuation in terms of money, based on a demand curve derived from utility maximization. But this approach leads to three different measures of value. An invariant measure of value exists only if the consumer has 'homothetic preferences'. In order to obtain a numerical estimate of value, specific functional forms are necessary, but typically these estimates do not converge. This is due to the fact that the underlying economic model is not structurally stable. According to neoclassical economics, any environmental remediation can be justified only in terms of increases in consumer satisfaction, balancing marginal gains against marginal costs. It is not surprising that the optimal policy obtained from this approach suggests only small reductions in greenhouse gases. We show that a unidimensional metric of consumer's utility measured in dollar terms can only trivialize the problem of global climate change.

One-pot green synthesis of zinc oxide nano rice and its application as sonocatalyst for degradation of organic dye and synthesis of 2-benzimidazole derivatives

NASA Astrophysics Data System (ADS)

Paul, Bappi; Vadivel, Sethumathavan; Dhar, Siddhartha Sankar; Debbarma, Shyama; Kumaravel, M.

2017-05-01

In this paper, we report novel and green approach for one-pot biosynthesis of zinc oxide (ZnO) nanoparticles (NPs). Highly stable and hexagonal phase ZnO nanoparticles were synthesized using seeds extract from the tender pods of Parkia roxburghii and characterized by XRD, FT-IR, EDX, TEM, and N2 adsorption-desorption (BET) studies. The present method of synthesis of ZnO NPs is very efficient and cost effective. The powder XRD pattern furnished evidence for the formation of hexagonal close packing structure of ZnO NPs having average crystallite size 25.6 nm. The TEM image reveals rice shapes ZnO NPs are with an average diameter of 40-60 nm. The as-synthesized ZnO NPs has proved to be an excellent sonocatalysts for degradation of organic dye and synthesis of 2-benzimidazole derivatives.

High-Performance Rh 2 P Electrocatalyst for Efficient Water Splitting

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

Duan, Haohong; Li, Dongguo; Tang, Yan

2017-04-05

The search for active, stable, and cost-efficient electrocatalysts for hydrogen production via water splitting could make a substantial impact on energy technologies that do not rely on fossil fuels. Here we report the synthesis of rhodium phosphide electrocatalyst with low metal loading in the form of nanocubes (NCs) dispersed in high-surface-area carbon (Rh2P/C) by a facile solvo-thermal approach. The Rh2P/C NCs exhibit remarkable performance for hydrogen evolution reaction and oxygen evolution reaction compared to Rh/C and Pt/C catalysts. The atomic structure of the Rh2P NCs was directly observed by annular dark-field scanning transmission electron microscopy, which revealed a phosphorus-rich outermostmore » atomic layer. Combined experimental and computational studies suggest that surface phosphorus plays a crucial role in determining the robust catalyst properties.« less

High-Performance Rh 2 P Electrocatalyst for Efficient Water Splitting

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

Duan, Haohong; Li, Dongguo; Tang, Yan

2017-04-05

Search for active, stable and cost-efficient electrocatalysts for hydrogen production via water splitting could make substantial impact to the energy technologies that do not rely on fossil fuels. Here we report the synthesis of rhodium phosphide electrocatalyst with low metal loading in the form of nanocubes (NCs) dispersed in high surface area carbon (Rh2P/C) by a facile solvo-thermal approach. The Rh2P/C NCs exhibit remarkable performance for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) compared to Rh/C and Pt/C catalysts. The atomic structure of the rhodium phosphide nanocubes was directly observed by annular dark-field scanning transmission electron microscopy (ADF-STEM),more » which revealed phosphorous-rich outermost atomic layer. Combined experimental and computational studies suggest that surface phosphorous plays crucial role in determining the robust catalyst properties.« less

A fast, preconditioned conjugate gradient Toeplitz solver

NASA Technical Reports Server (NTRS)

Pan, Victor; Schrieber, Robert

1989-01-01

A simple factorization is given of an arbitrary hermitian, positive definite matrix in which the factors are well-conditioned, hermitian, and positive definite. In fact, given knowledge of the extreme eigenvalues of the original matrix A, an optimal improvement can be achieved, making the condition numbers of each of the two factors equal to the square root of the condition number of A. This technique is to applied to the solution of hermitian, positive definite Toeplitz systems. Large linear systems with hermitian, positive definite Toeplitz matrices arise in some signal processing applications. A stable fast algorithm is given for solving these systems that is based on the preconditioned conjugate gradient method. The algorithm exploits Toeplitz structure to reduce the cost of an iteration to O(n log n) by applying the fast Fourier Transform to compute matrix-vector products. Matrix factorization is used as a preconditioner.

Composite separators and redox flow batteries based on porous separators

DOEpatents

Li, Bin; Wei, Xiaoliang; Luo, Qingtao; Nie, Zimin; Wang, Wei; Sprenkle, Vincent L.

2016-01-12

Composite separators having a porous structure and including acid-stable, hydrophilic, inorganic particles enmeshed in a substantially fully fluorinated polyolefin matrix can be utilized in a number of applications. The inorganic particles can provide hydrophilic characteristics. The pores of the separator result in good selectivity and electrical conductivity. The fluorinated polymeric backbone can result in high chemical stability. Accordingly, one application of the composite separators is in redox flow batteries as low cost membranes. In such applications, the composite separator can also enable additional property-enhancing features compared to ion-exchange membranes. For example, simple capacity control can be achieved through hydraulic pressure by balancing the volumes of electrolyte on each side of the separator. While a porous separator can also allow for volume and pressure regulation, in RFBs that utilize corrosive and/or oxidizing compounds, the composite separators described herein are preferable for their robustness in the presence of such compounds.

Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds

NASA Astrophysics Data System (ADS)

Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola

2014-11-01

Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug-delivery vehicles and contrast agents in vivo. In the quest for superior photostability and biocompatibility, nanodiamonds are considered one of the best choices due to their unique structural, chemical, mechanical and optical properties. So far, mainly fluorescent nanodiamonds have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centres with stable optical properties. Here, we show that single non-fluorescing nanodiamonds exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp3 vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and nanodiamond size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of nanodiamonds internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively.

Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds

PubMed Central

Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola

2016-01-01

Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug delivery vehicles, and contrast agents in vivo. In the quest for superior photostability and bio-compatibility, nanodiamonds (NDs) are considered one of the best choices due to their unique structural, chemical, mechanical, and optical properties. So far, mainly fluorescent NDs have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centers with stable optical properties. Here, we show that single non-fluorescing NDs exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp3 vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and ND size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of NDs internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively. PMID:25305746

Coherent anti-Stokes Raman scattering microscopy of single nanodiamonds.

PubMed

Pope, Iestyn; Payne, Lukas; Zoriniants, George; Thomas, Evan; Williams, Oliver; Watson, Peter; Langbein, Wolfgang; Borri, Paola

2014-11-01

Nanoparticles have attracted enormous attention for biomedical applications as optical labels, drug-delivery vehicles and contrast agents in vivo. In the quest for superior photostability and biocompatibility, nanodiamonds are considered one of the best choices due to their unique structural, chemical, mechanical and optical properties. So far, mainly fluorescent nanodiamonds have been utilized for cell imaging. However, their use is limited by the efficiency and costs in reliably producing fluorescent defect centres with stable optical properties. Here, we show that single non-fluorescing nanodiamonds exhibit strong coherent anti-Stokes Raman scattering (CARS) at the sp(3) vibrational resonance of diamond. Using correlative light and electron microscopy, the relationship between CARS signal strength and nanodiamond size is quantified. The calibrated CARS signal in turn enables the analysis of the number and size of nanodiamonds internalized in living cells in situ, which opens the exciting prospect of following complex cellular trafficking pathways quantitatively.

A biomimetic redox flow battery based on flavin mononucleotide

NASA Astrophysics Data System (ADS)

Orita, Akihiro; Verde, Michael G.; Sakai, Masanori; Meng, Ying Shirley

2016-10-01

The versatility in design of redox flow batteries makes them apt to efficiently store energy in large-scale applications at low cost. The discovery of inexpensive organic electroactive materials for use in aqueous flow battery electrolytes is highly attractive, but is thus far limited. Here we report on a flow battery using an aqueous electrolyte based on the sodium salt of flavin mononucleotide. Flavins are highly versatile electroactive molecules, which catalyse a multitude of redox reactions in biological systems. We use nicotinamide (vitamin B3) as a hydrotropic agent to enhance the water solubility of flavin mononucleotide. A redox flow battery using flavin mononucleotide negative and ferrocyanide positive electrolytes in strong base shows stable cycling performance, with over 99% capacity retention over the course of 100 cycles. We hypothesize that this is enabled due to the oxidized and reduced forms of FMN-Na being stabilized by resonance structures.

A biomimetic redox flow battery based on flavin mononucleotide.

PubMed

Orita, Akihiro; Verde, Michael G; Sakai, Masanori; Meng, Ying Shirley

2016-10-21

The versatility in design of redox flow batteries makes them apt to efficiently store energy in large-scale applications at low cost. The discovery of inexpensive organic electroactive materials for use in aqueous flow battery electrolytes is highly attractive, but is thus far limited. Here we report on a flow battery using an aqueous electrolyte based on the sodium salt of flavin mononucleotide. Flavins are highly versatile electroactive molecules, which catalyse a multitude of redox reactions in biological systems. We use nicotinamide (vitamin B3) as a hydrotropic agent to enhance the water solubility of flavin mononucleotide. A redox flow battery using flavin mononucleotide negative and ferrocyanide positive electrolytes in strong base shows stable cycling performance, with over 99% capacity retention over the course of 100 cycles. We hypothesize that this is enabled due to the oxidized and reduced forms of FMN-Na being stabilized by resonance structures.

Reinforcement learning for adaptive optimal control of unknown continuous-time nonlinear systems with input constraints

NASA Astrophysics Data System (ADS)

Yang, Xiong; Liu, Derong; Wang, Ding

2014-03-01

In this paper, an adaptive reinforcement learning-based solution is developed for the infinite-horizon optimal control problem of constrained-input continuous-time nonlinear systems in the presence of nonlinearities with unknown structures. Two different types of neural networks (NNs) are employed to approximate the Hamilton-Jacobi-Bellman equation. That is, an recurrent NN is constructed to identify the unknown dynamical system, and two feedforward NNs are used as the actor and the critic to approximate the optimal control and the optimal cost, respectively. Based on this framework, the action NN and the critic NN are tuned simultaneously, without the requirement for the knowledge of system drift dynamics. Moreover, by using Lyapunov's direct method, the weights of the action NN and the critic NN are guaranteed to be uniformly ultimately bounded, while keeping the closed-loop system stable. To demonstrate the effectiveness of the present approach, simulation results are illustrated.

Fabrication of recyclable and durable superhydrophobic materials with wear/corrosion-resistance properties from kaolin and polyvinylchloride

NASA Astrophysics Data System (ADS)

Qu, Mengnan; Liu, Shanshan; He, Jinmei; Feng, Juan; Yao, Yali; Ma, Xuerui; Hou, Lingang; Liu, Xiangrong

2017-07-01

In this study, mechanically stable and recyclable superhydrophobic materials were prepared from polyvinylchloride (PVC) and kaolin nanoparticles modified by stearic acid using a simple and low-cost drop-coating. The obtained materials displayed liquid-repellent toward water and several other liquids of daily life (such as orange juice, coffee, milk, coca cola and ink). These superhydrophobic materials showed remarkable robustness against sandpaper abrasion, UV-irradiation and ultrasonication test, while retaining its superhydrophobicity even after 60 abrasion cycles loaded of 500 g with sandpaper, 7 days UV-irradiation or 120 min ultrasonication test. The excellent durability against complex conditions was attributed to the hierarchical structure and strong interfacial adhesion of the materials. More significantly, the materials used in the coating could be recycled and reconstructed without losing its superhydrophobicity. The current superhydrophobic materials tolerate rigorous environment, opening a new avenue to a variety of practical applications.

Selection considerations between ZERODUR® and silicon carbide for dimensionally-stable spaceborne optical telescopes in two-earth-orbits

NASA Astrophysics Data System (ADS)

Hull, Tony; Westerhoff, Thomas; Weidmann, Gunter

2015-09-01

A key consideration in defining a space telescope mission is definition of the optical materials. This selection defines both the performance of the system and system complexity and cost. Optimal material selection for system stability must consider the thermal environment and its variation. Via numerical simulations, we compare the thermal and structural-mechanical behavior of ZERODUR® and SiC as mirror substrates for telescope assemblies in space. SiC has significantly larger CTE values then ZERODUR®, but also its thermal diffusivity k/(ρcp) is larger, and that helps to homogenize thermal gradients in the mirror. Therefore it is not obvious at first glance which material performs with better dimensional stability under realistic unsteady, inhomogeneous thermal loads. We specifically examine the telescope response to transient, gradient driving, thermal environments representative of low- and high-earth- orbits.

NICE recommendations for the assessment of stable chest pain: assessing the early economic and service impact in the rapid-access chest pain service.

PubMed

Ashrafi, Reza; Raga, Santosh; Abdool, Ali; Disney, Andrew; Wong, Peter; Davis, Gershan K

2013-05-01

In 2010, guidelines published by the National Institute for Clinical Excellence (NICE) suggested a change in the way patients with stable chest pain of suspected cardiac origin were investigated. These guidelines removed exercise treadmill testing from routine use and introduced cardiac CT to regular use. To investigate whether these guidelines had improved our service provision by reducing the number of further investigations required to make a diagnosis, and to see if our costs had increased now that the less expensive exercise treadmill tests were not recommended. Clinic letters were used to assess patients pretest likelihood of coronary artery disease for two six-month cohorts of consecutive patients seen in the rapid access chest pain clinic (January-June 2010 and July-December 2011) using NICE published methodology, and to ascertain which investigations patients had. Using NICE modelled costs, we generated comparative hypothetical costs for each cohort and an average cost per patient. In the January-June 2010 cohort, 435 patients with chest pain were seen, and in July-December 2011, 334 patients were seen. In the pre-NICE guidelines cohort, 23% of patients required two investigations as compared with 11.4% in the post-NICE guidelines cohort, with no patient requiring three investigations as compared with 3% in the original cohort. There was no significant increase in costs per patient in the post-NICE guidance group. Implementing NICE guidance reduced the number of investigations needed per patient, and did not prove more expensive for our department in the short term.

Response of a continuous anaerobic digester to temperature transitions: A critical range for restructuring the microbial community structure and function.

PubMed

Kim, Jaai; Lee, Changsoo

2016-02-01

Temperature is a crucial factor that significantly influences the microbial activity and so the methanation performance of an anaerobic digestion (AD) process. Therefore, how to control the operating temperature for optimal activity of the microbes involved is a key to stable AD. This study examined the response of a continuous anaerobic reactor to a series of temperature shifts over a wide range of 35-65 °C using a dairy-processing byproduct as model wastewater. During the long-term experiment for approximately 16 months, the reactor was subjected to stepwise temperature increases by 5 °C at a fixed HRT of 15 days. The reactor showed stable performance within the temperature range of 35-45 °C, with the methane production rate and yield being maximum at 45 °C (18% and 26% greater, respectively, than at 35 °C). However, the subsequent increase to 50 °C induced a sudden performance deterioration with a complete cessation of methane recovery, indicating that the temperature range between 45 °C and 50 °C had a critical impact on the transition of the reactor's methanogenic activity from mesophilic to thermophilic. This serious process perturbation was associated with a severe restructuring of the reactor microbial community structure, particularly of methanogens, quantitatively as well as qualitatively. Once restored by interrupted feeding for about two months, the reactor maintained fairly stable performance under thermophilic conditions until it was upset again at 65 °C. Interestingly, in contrast to most previous reports, hydrogenotrophs largely dominated the methanogen community at mesophilic temperatures while acetotrophs emerged as a major group at thermophilic temperature. This implies that the primary methanogenesis route of the reactor shifted from hydrogen- to acetate-utilizing pathways with the temperature shifts from mesophilic to thermophilic temperatures. Our observations suggest that a mesophilic digester may not need to be cooled at up to 45 °C in case of undesired temperature rise, for example, by excessive self-heating, which offers a possibility to reduce operating costs. Copyright © 2015 Elsevier Ltd. All rights reserved.

Glycoprotein production for structure analysis with stable, glycosylation mutant CHO cell lines established by fluorescence-activated cell sorting.

PubMed

Wilke, Sonja; Krausze, Joern; Gossen, Manfred; Groebe, Lothar; Jäger, Volker; Gherardi, Ermanno; van den Heuvel, Joop; Büssow, Konrad

2010-06-01

Stable mammalian cell lines are excellent tools for the expression of secreted and membrane glycoproteins. However, structural analysis of these molecules is generally hampered by the complexity of N-linked carbohydrate side chains. Cell lines with mutations are available that result in shorter and more homogenous carbohydrate chains. Here, we use preparative fluorescence-activated cell sorting (FACS) and site-specific gene excision to establish high-yield glycoprotein expression for structural studies with stable clones derived from the well-established Lec3.2.8.1 glycosylation mutant of the Chinese hamster ovary (CHO) cell line. We exemplify the strategy by describing novel clones expressing single-chain hepatocyte growth factor/scatter factor (HGF/SF, a secreted glycoprotein) and a domain of lysosome-associated membrane protein 3 (LAMP3d). In both cases, stable GFP-expressing cell lines were established by transfection with a genetic construct including a GFP marker and two rounds of cell sorting after 1 and 2 weeks. The GFP marker was subsequently removed by heterologous expression of Flp recombinase. Production of HGF/SF and LAMP3d was stable over several months. 1.2 mg HGF/SF and 0.9 mg LAMP3d were purified per litre of culture, respectively. Homogenous glycoprotein preparations were amenable to enzymatic deglycosylation under native conditions. Purified and deglycosylated LAMP3d protein was readily crystallized. The combination of FACS and gene excision described here constitutes a robust and fast procedure for maximizing the yield of glycoproteins for structural analysis from glycosylation mutant cell lines.

On Stable Wall Boundary Conditions for the Hermite Discretization of the Linearised Boltzmann Equation

NASA Astrophysics Data System (ADS)

Sarna, Neeraj; Torrilhon, Manuel

2018-01-01

We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331-407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.

Persistence and stability of fish community structure in a southwest New York stream

USGS Publications Warehouse

Hansen, Michael J.; Ramm, Carl W.

1994-01-01

We used multivariate and nonparametric statistics to examine persistence and stability of fish species in the upper 43 km of French Creek, New York. Species occurred in upstream and downstream groups in 1937 that persisted in 1979. However, the downstream group expanded its range in the drainage from 1937 to 1979 at the expense of the upstream group. A dam prevented further upstream expansion of the downstream group. Ranks of species abundances were stable, as tests of group similarity were significant. The abundances and distributions of benthic species were stable across seven sampling dates in 1980 despite several floods and repeated removals by sampling that could have altered community structure. We conclude that the fish community in French Creek persisted and was stable over the 42-yr interval, 1937-1979, and that abundances of benthic species were stable in summer 1980.

Multifunctional Binary Monolayers Ge xP y: Tunable Band Gap, Ferromagnetism, and Photocatalyst for Water Splitting.

PubMed

Li, Pengfei; Zhang, Wei; Li, Dongdong; Liang, Changhao; Zeng, Xiao Cheng

2018-06-04

The most stable structures of two-dimensional Ge x P y and Ge x As y monolayers with different stoichiometries (e.g., GeP, GeP 2 , and GeP 3 ) are explored systematically through the combination of the particle-swarm optimization technique and density functional theory optimization. For GeP 3 , we show that the newly predicted most stable C2/ m structure is 0.16 eV/atom lower in energy than the state-of-the-art P3̅m1 structure reported previously ( Nano Lett. 2017, 17, 1833). The computed electronic band structures suggest that all the stable and metastable monolayers of Ge x P y are semiconductors with highly tunable band gaps under the biaxial strain, allowing strain engineering of their band gaps within nearly the whole visible-light range. More interestingly, the hole doping can convert the C2/ m GeP 3 monolayer from nonmagnetic to ferromagnetic because of its unique valence band structure. For the GeP 2 monolayer, the predicted most stable Pmc2 1 structure is a (quasi) direct-gap semiconductor that possesses a high electron mobility of ∼800 cm 2 V -1 s -1 along the k a direction, which is much higher than that of MoS 2 (∼200 cm 2 V -1 s -1 ). More importantly, the Pmc2 1 GeP 2 monolayer not only can serve as an n-type channel material in field-effect transistors but also can be an effective catalyst for splitting water.

Structure of the thermally stable Zika virus.

PubMed

Kostyuchenko, Victor A; Lim, Elisa X Y; Zhang, Shuijun; Fibriansah, Guntur; Ng, Thiam-Seng; Ooi, Justin S G; Shi, Jian; Lok, Shee-Mei

2016-05-19

Zika virus (ZIKV), formerly a neglected pathogen, has recently been associated with microcephaly in fetuses, and with Guillian-Barré syndrome in adults. Here we present the 3.7 Å resolution cryo-electron microscopy structure of ZIKV, and show that the overall architecture of the virus is similar to that of other flaviviruses. Sequence and structural comparisons of the ZIKV envelope (E) protein with other flaviviruses show that parts of the E protein closely resemble the neurovirulent West Nile and Japanese encephalitis viruses, while others are similar to dengue virus (DENV). However, the contribution of the E protein to flavivirus pathobiology is currently not understood. The virus particle was observed to be structurally stable even when incubated at 40 °C, in sharp contrast to the less thermally stable DENV. This is also reflected in the infectivity of ZIKV compared to DENV serotypes 2 and 4 (DENV2 and DENV4) at different temperatures. The cryo-electron microscopy structure shows a virus with a more compact surface. This structural stability of the virus may help it to survive in the harsh conditions of semen, saliva and urine. Antibodies or drugs that destabilize the structure may help to reduce the disease outcome or limit the spread of the virus.

A novel MEMS inertial switch with a reinforcing rib structure and electrostatic power assist to prolong the contact time

NASA Astrophysics Data System (ADS)

Li, Jian; Wang, Yan; Yang, Zhuoqing; Ding, Guifu; Zhao, Xiaolin; Wang, Hong

2018-03-01

The MEMS inertial switch is widely used in various industries owing to its advantage of small size, high integration, low power consumption and low costs, especially in the timing of Internet of things, such as toys, handheld devices, accessories and vibration testing. This paper provided a novel inertial switch with a reinforcing rib structure and electrostatic power assist. The designed inertial switch can reduce the complexity of the post-processing circuit and broaden its application prospect. The continuous electrostatic force can extend the contact time of the designed inertia switch before the leakage of electricity ends. The moving electrode with a reinforcing rib structure can effectively restrain the bending of the lower surface of moving electrode caused by residual stress. The array-type fixed electrode can ensure stable contact between the electrodes when the device is sensitive to external shocks. The dynamic displacement-time curve can be simulated by the COMSOL finite element simulation software. The laminated plating process is used to produce the designed inertial switch and the drop hammer acceleration monitoring system is used to test the fabricated device. The results indicate that, compared with the traditional design, the bouncing phenomenon can be prevented and extend the contact time to 336μs.

Structure and cation ordering in La 2UO 6, Ce 2UO 6, LaUO 4, and CeUO 4 by first principles calculations

DOE PAGES

Casillas-Trujillo, Luis; Xu, H.; McMurray, Jake W.; ...

2016-07-06

In the present work, we have used density functional theory (DFT) and DFT+U to investigate the crystal structure and phase stability of four model compounds in the Ln 2O 3-UO 2-UO 3 ternary oxide system: La2UO 6, Ce 2UO 6, LaUO 4, CeUO 4, due to the highly-correlated nature of the f-electrons in uranium. We have considered both hypothetical ordered compounds and compounds in which the cations randomly occupy atomic sites in a fluorite-like lattice. We determined that ordered compounds are stable and are energetically favored compared to disordered configurations, though the ordering tendencies are weak. To model and analyzemore » the structures of these complex oxides, we have used supercells based on a layered atomic model. In the layer model, the supercell is composed of alternating planes of anions and cations. We have considered two different ordering motifs for the cations, namely single species (isoatomic) cation layers versus mixed species cation layers. Energy differences between various ordered cationic arrangements were found to be small. This may have implications regarding radiation stability, since cationic arrangements should be able to change under irradiation with little cost in energy.« less

Evolution of social versus individual learning in a subdivided population revisited: comparative analysis of three coexistence mechanisms using the inclusive-fitness method.

PubMed

Kobayashi, Yutaka; Ohtsuki, Hisashi

2014-03-01

Learning abilities are categorized into social (learning from others) and individual learning (learning on one's own). Despite the typically higher cost of individual learning, there are mechanisms that allow stable coexistence of both learning modes in a single population. In this paper, we investigate by means of mathematical modeling how the effect of spatial structure on evolutionary outcomes of pure social and individual learning strategies depends on the mechanisms for coexistence. We model a spatially structured population based on the infinite-island framework and consider three scenarios that differ in coexistence mechanisms. Using the inclusive-fitness method, we derive the equilibrium frequency of social learners and the genetic load of social learning (defined as average fecundity reduction caused by the presence of social learning) in terms of some summary statistics, such as relatedness, for each of the three scenarios and compare the results. This comparative analysis not only reconciles previous models that made contradictory predictions as to the effect of spatial structure on the equilibrium frequency of social learners but also derives a simple mathematical rule that determines the sign of the genetic load (i.e. whether or not social learning contributes to the mean fecundity of the population). Copyright © 2013 Elsevier Inc. All rights reserved.

Validated Feasibility Study of Integrally Stiffened Metallic Fuselage Panels for Reducing Manufacturing Costs: Cost Assessment of Manufacturing/Design Concepts

NASA Technical Reports Server (NTRS)

Metschan, S.

2000-01-01

The objective of the Integral Airframe Structures (IAS) program was to demonstrate, for an integrally stiffened structural concept, performance and weight equal to "built-up" structure with lower manufacturing cost. This report presents results of the cost assessment for several design configuration/manufacturing method combinations. The attributes of various cost analysis models were evaluated and COSTRAN selected for this study. A process/design cost evaluation matrix was developed based on material, forming, machining, and assembly of structural sub-elements and assembled structure. A hybrid design, made from high-speed machined extruded frames that are mechanically fastened to high-speed machined plate skin/stringer panels, was identified as the most cost-effective manufacturing solution. Recurring labor and material costs of the hybrid design are up to 61 percent less than the current built-up technology baseline. This would correspond to a total cost reduction of $1.7 million per ship set for a 777-sized airplane. However, there are important outstanding issues with regard to the cost of capacity of high technology machinery, and the ability to cost-effectively provide surface finish acceptable to the commercial aircraft industry. The projected high raw material cost of large extrusions also played an important role in the trade-off between plate and extruded concepts.

Co-intercalation of Mg(2+) and Na(+) in Na(0.69)Fe2(CN)6 as a High-Voltage Cathode for Magnesium Batteries.

PubMed

Kim, Dong-Min; Kim, Youngjin; Arumugam, Durairaj; Woo, Sang Won; Jo, Yong Nam; Park, Min-Sik; Kim, Young-Jun; Choi, Nam-Soon; Lee, Kyu Tae

2016-04-06

Thanks to the advantages of low cost and good safety, magnesium metal batteries get the limelight as substituent for lithium ion batteries. However, the energy density of state-of-the-art magnesium batteries is not high enough because of their low operating potential; thus, it is necessary to improve the energy density by developing new high-voltage cathode materials. In this study, nanosized Berlin green Fe2(CN)6 and Prussian blue Na(0.69)Fe2(CN)6 are compared as high-voltage cathode materials for magnesium batteries. Interestingly, while Mg(2+) ions cannot be intercalated in Fe2(CN)6, Na(0.69)Fe2(CN)6 shows reversible intercalation and deintercalation of Mg(2+) ions, although they have the same crystal structure except for the presence of Na(+) ions. This phenomenon is attributed to the fact that Mg(2+) ions are more stable in Na(+)-containing Na(0.69)Fe2(CN)6 than in Na(+)-free Fe2(CN)6, indicating Na(+) ions in Na(0.69)Fe2(CN)6 plays a crucial role in stabilizing Mg(2+) ions. Na(0.69)Fe2(CN)6 delivers reversible capacity of approximately 70 mA h g(-1) at 3.0 V vs Mg/Mg(2+) and shows stable cycle performance over 35 cycles. Therefore, Prussian blue analogues are promising structures for high-voltage cathode materials in Mg batteries. Furthermore, this co-intercalation effect suggests new avenues for the development of cathode materials in hybrid magnesium batteries that use both Mg(2+) and Na(+) ions as charge carriers.

Design of a Low-Cost Air Levitation System for Teaching Control Engineering.

PubMed

Chacon, Jesus; Saenz, Jacobo; Torre, Luis de la; Diaz, Jose Manuel; Esquembre, Francisco

2017-10-12

Air levitation is the process by which an object is lifted without mechanical support in a stable position, by providing an upward force that counteracts the gravitational force exerted on the object. This work presents a low-cost lab implementation of an air levitation system, based on open solutions. The rapid dynamics makes it especially suitable for a control remote lab. Due to the system's nature, the design can be optimized and, with some precision trade-off, kept affordable both in cost and construction effort. It was designed to be easily adopted to be used as both a remote lab and as a hands-on lab.

Stable isotopes in mineralogy

USGS Publications Warehouse

O'Neil, J.R.

1977-01-01

Stable isotope fractionations between minerals are functions of the fundamental vibrational frequencies of the minerals and therefore bear on several topics of mineralogical interest. Isotopic compositions of the elements H, C, O, Si, and S can now be determined routinely in almost any mineral. A summary has been made of both published and new results of laboratory investigations, analyses of natural materials, and theoretical considerations which bear on the importance of temperature, pressure, chemical composition and crystal structure to the isotopic properties of minerals. It is shown that stable isotope studies can sometimes provide evidence for elucidating details of crystal structure and can be a powerful tool for use in tracing the reaction paths of mineralogical reactions. ?? 1977 Springer-Verlag.

Gel Electrolytes with Polyamidopyridine Dendron Modified Talc for Dye-Sensitized Solar Cells.

PubMed

Santana Andrade, Marcos A; Tiihonen, Armi; Miettunen, Kati; Lund, Peter; Nogueira, Ana F; Pastore, Heloise O

2017-06-21

Organic-inorganic hybrid layered materials are proposed as additives in a quasi-solid gel electrolyte for dye-sensitized solar cells. Talcs could provide a low-cost and environmentally friendly, as well as abundant, option as gelators. Here, talcs were prepared by functionalizing an organotalc with three polyamidopyridine dendron generations, PAMPy-talc-Gn (n = 1, 2 and 3). PAMPy dendrons grow parallel to the lamellae plane and form an organized structure by intermolecular interactions. In addition, polyiodide-dendron charge-transfer complexes were prepared onto the organotalc by adsorption of iodine. In this work, the effect of the dendron generation of PAMPy-talc and the influence of polyiodide intercalation on solar cell performance and stability were investigated. The best results were reached with the use of lowest-generation PAMPy-talc (η = 4.5 ± 0.3%, V OC = 710 ± 19 mV, J sc = 10.4 ± 0.9 mA cm -2 , and FF = 61 ± 2%): 15% higher efficiency compared to similar liquid devices. While some previously studied talcs illustrate very strong absorption of the iodide from the electrolyte, in the case of PAMPy-talc such interfering effects were absent: In a 1000 h light soaking test, the PAMPy-talc cells both with and without polyiodide intercalation demonstrated stable performances. Furthermore, the color analysis of the electrolyte indicated that the color of the electrolyte remained stable after an initial period of stabilization, which is a good indication of the compound being stable and not absorbing charge carriers from the electrolyte. The performance and stability results indicate that PAMPy-talc has potential as a gelling method for electrolytes for dye solar cells.

Theoretical prediction of a new stable structure of Au28(SR)20 cluster

NASA Astrophysics Data System (ADS)

Sun, Xiangxiang; Wang, Pu; Xiong, Lin; Pei, Yong

2018-07-01

A new stable structure of Au28(SR)20 cluster is predicted, which has the same gold core as two known structures but different Au-S framework. The new Au28(SR)20 cluster is proposed to be a key link in the evolution of Au22(SR)18, Au34(SR)22 and Au40(SR)24 clusters. The four clusters belong to a homogenous Au16+6N(SR)16+2N series (N = 1-4). The relative stabilities of the new Au28 isomer structure were confirmed by density functional theory calculations including dispersion corrections (DFT-D). It is found that upon protection of certain SR ligands, the new isomer structure has lower or comparable energies to two known cluster structures.

Life Comparative Analysis of Energy Consumption and CO2 Emissions of Different Building Structural Frame Types

PubMed Central

Kim, Sangyong; Moon, Joon-Ho; Shin, Yoonseok; Kim, Gwang-Hee; Seo, Deok-Seok

2013-01-01

The objective of this research is to quantitatively measure and compare the environmental load and construction cost of different structural frame types. Construction cost also accounts for the costs of CO2 emissions of input materials. The choice of structural frame type is a major consideration in construction, as this element represents about 33% of total building construction costs. In this research, four constructed buildings were analyzed, with these having either reinforced concrete (RC) or steel (S) structures. An input-output framework analysis was used to measure energy consumption and CO2 emissions of input materials for each structural frame type. In addition, the CO2 emissions cost was measured using the trading price of CO2 emissions on the International Commodity Exchange. This research revealed that both energy consumption and CO2 emissions were, on average, 26% lower with the RC structure than with the S structure, and the construction costs (including the CO2 emissions cost) of the RC structure were about 9.8% lower, compared to the S structure. This research provides insights through which the construction industry will be able to respond to the carbon market, which is expected to continue to grow in the future. PMID:24227998

Experimental and theoretical IR and Raman spectra of picolinic, nicotinic and isonicotinic acids

NASA Astrophysics Data System (ADS)

Koczoń, P.; Dobrowolski, J. Cz.; Lewandowski, W.; Mazurek, A. P.

2003-07-01

The experimental and theoretical (B3PW91/6-311++G**) vibrational (IR and Raman) spectra of picolinic, nicotinic and isonicotinic acids (pyridine-2-, -3-, and -4-carboxylic acid, respectively) were studied. Three stable calculated structures were found for picolinic acid: the structure with intramolecular hydrogen COOH⋯N bond, and the two without hydrogen bond. For the nicotinic acid two stable theoretical structures differ in orientation of the COOH group with respect to the nitrogen atom, whereas for the isonicotinic acid only one form was stable. The theoretical vibrational spectra of the three acids were interpreted by means of potential energy distributions (PEDs) using VEDA 3 program. Next, selected experimental bands were assigned based on the scaled theoretical wavenumbers. Finally, the wavenumbers and intensities for the three isomeric acids were compared and discussed in terms of location of the carboxylic group.

Electrotransfection of Polyamine Folded DNA Origami Structures.

PubMed

Chopra, Aradhana; Krishnan, Swati; Simmel, Friedrich C

2016-10-12

DNA origami structures are artificial molecular nanostructures in which DNA double helices are forced into a closely packed configuration by a multitude of DNA strand crossovers. We show that three different types of origami structures (a flat sheet, a hollow tube, and a compact origami block) can be formed in magnesium-free buffer solutions containing low (<1 mM) concentrations of the condensing agent spermidine. Much like in DNA condensation, the amount of spermidine required for origami folding is proportional to the DNA concentration. At excessive amounts, the structures aggregate and precipitate. In contrast to origami structures formed in conventional buffers, the resulting structures are stable in the presence of high electric field pulses, such as those commonly used for electrotransfection experiments. We demonstrate that spermidine-stabilized structures are stable in cell lysate and can be delivered into mammalian cells via electroporation.

Characterization of assembled MEMS

NASA Astrophysics Data System (ADS)

Jandric, Zoran; Randall, John N.; Saini, Rahul; Nolan, Michael; Skidmore, George

2004-12-01

Zyvex is developing a low-cost high-precision method for manufacturing MEMS-based three-dimensional structures/assemblies. The assembly process relies on compliant properties of the interconnecting components. The sockets and connectors are designed to benefit from their compliant nature by allowing the mechanical component to self-align, i.e. reposition themselves to their designed, stable position, independent of the initial placement of the part by the external robot. Thus, the self-aligning property guarantees the precision of the assembled structure to be very close to, or the same, as the precision of the lithography process itself. A three-dimensional (3D) structure is achieved by inserting the connectors into the sockets through the use of a passive end-effector. We have developed the automated, high-yield, assembly procedure which permits connectors to be picked up from any location within the same die, or a separate die. This general procedure allows for the possibility to assemble parts of dissimilar materials. We have built many 3D MEMS structures, including several 3D MEMS devices such as a scanning electron microscope (SEM) micro column, mass-spectrometer column, variable optical attenuator. For these 3D MEMS structures we characterize their mechanical strength through finite element simulation, dynamic properties by finite-element analysis and experimentally with UMECH"s MEMS motion analyzer (MMA), alignment accuracy by using an in-house developed dihedral angle measurement laser autocollimator, and impact properties by performing drop tests. The details of the experimental set-ups, the measurement procedures, and the experimental data are presented in this paper.

Characterization of assembled MEMS

NASA Astrophysics Data System (ADS)

Jandric, Zoran; Randall, John N.; Saini, Rahul; Nolan, Michael; Skidmore, George

2005-01-01

Zyvex is developing a low-cost high-precision method for manufacturing MEMS-based three-dimensional structures/assemblies. The assembly process relies on compliant properties of the interconnecting components. The sockets and connectors are designed to benefit from their compliant nature by allowing the mechanical component to self-align, i.e. reposition themselves to their designed, stable position, independent of the initial placement of the part by the external robot. Thus, the self-aligning property guarantees the precision of the assembled structure to be very close to, or the same, as the precision of the lithography process itself. A three-dimensional (3D) structure is achieved by inserting the connectors into the sockets through the use of a passive end-effector. We have developed the automated, high-yield, assembly procedure which permits connectors to be picked up from any location within the same die, or a separate die. This general procedure allows for the possibility to assemble parts of dissimilar materials. We have built many 3D MEMS structures, including several 3D MEMS devices such as a scanning electron microscope (SEM) micro column, mass-spectrometer column, variable optical attenuator. For these 3D MEMS structures we characterize their mechanical strength through finite element simulation, dynamic properties by finite-element analysis and experimentally with UMECH"s MEMS motion analyzer (MMA), alignment accuracy by using an in-house developed dihedral angle measurement laser autocollimator, and impact properties by performing drop tests. The details of the experimental set-ups, the measurement procedures, and the experimental data are presented in this paper.

APPROACHES FOR DETERMINING SWALE PERFORMANCE FOR STORMWATER RUNOFF

EPA Science Inventory

Swales are “engineered vegetated ditches” that provide stable routing for stormwater runoff and a low-cost drainage option for highways, farms, industrial sites, and commercial areas. It is reported in the literature that swales mitigate runoff-carried pollutants, reduce runoff v...

APPROACHES FOR DETERMINING SWALE PERFORMANCE FOR STORMWATER RUNOFF - Wilmington, NC

EPA Science Inventory

Swales are “engineered vegetated ditches” that provide stable routing for stormwater runoff and a low-cost drainage option for highways, farms, industrial sites, and commercial areas. It is reported in the literature that swales mitigate runoff-carried pollutants, reduce runoff ...

75 FR 70199 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-17

... help develop a stable economic atmosphere and reduce risk for production, marketing, and distribution... without county level quantities ginned that could seriously affect transportation costs and marketing strategies. Description of Respondents: Business or other for-profit. Number of Respondents: 826. Frequency...

Inducing Stable α + β Microstructures during Selective Laser Melting of Ti-6Al-4V Using Intensified Intrinsic Heat Treatments.

PubMed

Barriobero-Vila, Pere; Gussone, Joachim; Haubrich, Jan; Sandlöbes, Stefanie; Da Silva, Julio Cesar; Cloetens, Peter; Schell, Norbert; Requena, Guillermo

2017-03-07

Selective laser melting is a promising powder-bed-based additive manufacturing technique for titanium alloys: near net-shaped metallic components can be produced with high resource-efficiency and cost savings [...].

Multilayer screen gives cathode ray tube high contrast

NASA Technical Reports Server (NTRS)

Bullinger, H.; Hilborn, E. H.

1970-01-01

Fabrication method for cathode ray tubes uses low-cost siloxane resin formulations. The resins contain sufficient methyl or phenyl groups for solubility in organic solvents. After vaporization and baking, the polymerized material is stable under vacuum and under temperatures required for tube fabrication.

STORAGE STABILITY OF PESTICIDES IN EXTRACT SOLVENTS AND SAMPLING MEDIA

EPA Science Inventory

Demonstrating that pesticides are stable in field media and their extracts over extended storage periods allows operational flexibility and cost efficiency. Stability of the 31 neutral pesticides and 2 acid herbicides of the Agricultural Health Study exposure pilot was evaluate...

Design and operation of a continuous 13C and 15N labeling chamber for uniform or differential, metabolic and structural, plant tissue isotope labeling

USDA-ARS?s Scientific Manuscript database

Tracing heavy stable isotopes from plant material through the ecosystem provides the most sensitive information about ecosystem processes; from CO2 fluxes and soil organic matter formation to small-scale stable-isotope biomarker probing. Coupling multiple stable isotopes such as 13C with 15N, 18O o...

[Reimbursed health expenditures during the last year of life, in France, in the year 2008].

PubMed

Ricci, P; Mezzarobba, M; Blotière, P O; Polton, D

2013-02-01

To measure the reimbursed health expenditures in the last year of life and the proportion it represents in total reimbursement costs in 2008, to analyse the structure of such expenditures and to identify costs by cause of death. Data were obtained from the French national insurance information system (SNIIRAM). Data from the national hospital discharge database were linked to the outpatient reimbursement database for patients covered by the general health insurance scheme (n=49 million persons). The cost of the last year of life was calculated for the exhaustive population (361,328 deaths in 2008). The supposed cause of death was mainly derived from the primary diagnosis of the last hospital stay during which the patient died. The average reimbursed expenses during the last year of life were estimated at 22,000 € per person in 2008, with 12,500 € accounting for public hospital costs. Reimbursed health expenditures varied according to different medical causes of death: 52,300 € for HIV disease and about 40,000 € for tumors. A negative effect of age on the expenditure during the last year of life was observed. Health care spending increased with shorter time before death, the last month of life corresponding to 28% of reimbursed expenditures during the last year of life. Health care use in the last year of life represented 10.5% of the total health expenditures in 2008. This study found results similar to those observed in the past or in other countries. Our results show in particular that the weight of health expenditures during the last year of life on total health expenditures remains stable over the years. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

System technology analysis of aeroassisted orbital transfer vehicles: Moderate lift/drag (0.75-1.5). Volume 3: Cost estimates and work breakdown structure/dictionary, phase 1 and 2

NASA Technical Reports Server (NTRS)

1985-01-01

Technology payoffs of representative ground based (Phase 1) and space based (Phase 2) mid lift/drag ratio aeroassisted orbit transfer vehicles (AOTV) were assessed and prioritized. A narrative summary of the cost estimates and work breakdown structure/dictionary for both study phases is presented. Costs were estimated using the Grumman Space Programs Algorithm for Cost Estimating (SPACE) computer program and results are given for four AOTV configurations. The work breakdown structure follows the standard of the joint government/industry Space Systems Cost Analysis Group (SSCAG). A table is provided which shows cost estimates for each work breakdown structure element.

Long-lived groupers require structurally stable reefs in the face of repeated climate change disturbances

NASA Astrophysics Data System (ADS)

Karkarey, R.; Kelkar, N.; Lobo, A. Savio; Alcoverro, T.; Arthur, R.

2014-06-01

Benthic recovery from climate-related disturbances does not always warrant a commensurate functional recovery for reef-associated fish communities. Here, we examine the distribution of benthic groupers (family Serranidae) in coral reef communities from the Lakshadweep archipelago (Arabian Sea) in response to structural complexity and long-term habitat stability. These coral reefs that have been subject to two major El Niño Southern Oscillation-related coral bleaching events in the last decades (1998 and 2010). First, we employ a long-term (12-yr) benthic-monitoring dataset to track habitat structural stability at twelve reef sites in the archipelago. Structural stability of reefs was strongly driven by exposure to monsoon storms and depth, which made deeper and more sheltered reefs on the eastern aspect more stable than the more exposed (western) and shallower reefs. We surveyed groupers (species richness, abundance, biomass) in 60 sites across the entire archipelago, representing both exposures and depths. Sites were selected along a gradient of structural complexity from very low to high. Grouper biomass appeared to vary with habitat stability with significant differences between depth and exposure; sheltered deep reefs had a higher grouper biomass than either sheltered shallow or exposed (deep and shallow) reefs. Species richness and abundance showed similar (though not significant) trends. More interestingly, average grouper biomass increased exponentially with structural complexity, but only at the sheltered deep (high stability) sites, despite the availability of recovered structure at exposed deep and shallow sites (lower-stability sites). This trend was especially pronounced for long-lived groupers (life span >10 yrs). These results suggest that long-lived groupers may prefer temporally stable reefs, independent of the local availability of habitat structure. In reefs subject to repeated disturbances, the presence of structurally stable reefs may be critical as refuges for functionally important, long-lived species like groupers.

Cost-effectiveness analysis of everolimus plus exemestane versus exemestane alone for treatment of hormone receptor positive metastatic breast cancer.

PubMed

Diaby, Vakaramoko; Adunlin, Georges; Zeichner, Simon B; Avancha, Kiran; Lopes, Gilberto; Gluck, Stefan; Montero, Alberto J

2014-09-01

Everolimus in combination with exemestane significantly improved progression-free survival compared to exemestane alone in patients previously treated with non-steroidal aromatase inhibitors in the BOLERO-2 trial. As a result, this combination has been approved by the food and drug administration to treat postmenopausal women with hormone receptor positive and HER2 negative metastatic breast cancer. A cost-effectiveness analysis was conducted to determine whether everolimus represents good value for money, utilizing data from BOLERO-2. A decision-analytic model was used to estimate the incremental cost-effectiveness ratio between treatment arms of the BOLERO-2 trial. Costs were obtained from the Center for Medicare Services drug payment table and physician fee schedule. Benefits were expressed as quality-adjusted progression-free survival weeks (QAPFW) and quality-adjusted progression-free years (QAPFY), with utilities/disutilities derived from the literature. Deterministic and probabilistic sensitivity analyses were performed. A willingness to pay threshold of 1-3 times the per capita gross domestic product was adopted, as per the definition of the World Health Organization. The U.S. per capita gross domestic product in 2013 was $49,965; thus, a threshold varying between $49,965 and $149,895 was considered. Everolimus/exemestane had an incremental benefit of 11.88 QAPFW (0.22 QAPFY) compared to exemestane and an incremental cost of $60,574. This translated into an ICER of $265,498.5/QAPFY. Univariate sensitivity analyses showed important variations of the ICER, ranging between $189,836.4 and $530,947/QAPFY. A tornado analysis suggested that the key drivers of our model, by order of importance, included health utility value for stable disease, everolimus acquisition costs, and transition probabilities from the stable to the progression states. The Monte-Carlo simulation showed results that were similar to the base-case analysis. This cost-effectiveness analysis showed that everolimus plus exemestane is not cost-effective compared to exemestane alone. Further research is needed to investigate the cost-effectiveness of the drug combination within sub-groups of the population studied in BOLERO-2.

A high-throughput exploration of magnetic materials by using structure predicting methods

NASA Astrophysics Data System (ADS)

Arapan, S.; Nieves, P.; Cuesta-López, S.

2018-02-01

We study the capability of a structure predicting method based on genetic/evolutionary algorithm for a high-throughput exploration of magnetic materials. We use the USPEX and VASP codes to predict stable and generate low-energy meta-stable structures for a set of representative magnetic structures comprising intermetallic alloys, oxides, interstitial compounds, and systems containing rare-earths elements, and for both types of ferromagnetic and antiferromagnetic ordering. We have modified the interface between USPEX and VASP codes to improve the performance of structural optimization as well as to perform calculations in a high-throughput manner. We show that exploring the structure phase space with a structure predicting technique reveals large sets of low-energy metastable structures, which not only improve currently exiting databases, but also may provide understanding and solutions to stabilize and synthesize magnetic materials suitable for permanent magnet applications.

Influence of heating procedures on the surface structure of stabilized polyacrylonitrile fibers

NASA Astrophysics Data System (ADS)

Zhao, Rui-Xue; Sun, Peng-fei; Liu, Rui-jian; Ding, Zhan-hui; Li, Xiang-shan; Liu, Xiao-yang; Zhao, Xu-dong; Gao, Zhong-min

2018-03-01

The stabilized polyacrylonitrile (PAN) fibers were obtained after heating the precursor PAN fibers under air atmosphere by different procedures. The surface structures and compositions of as-prepared stabilized PAN fibers have been investigated by SEM, SSNMR, XPS and Raman spectroscopy. The results show that 200 °C, 220 °C, 250 °C, and 280 °C are key temperatures for the preparation of stabilized PAN fibers. The effect of heating gradient on the structure of stabilized PAN fibers has been studied. The possible chemical structural formulas for the PAN fibers is provided, which include the stable and unstable structure. The stable structure (α-type) could endure the strong chemical reactions and the unstable structure (β- or γ-type) could mitigate the drastic oxidation reactions. The inferences of chemical formula of stabilized PAN fibers are benefit to the design of appropriate surface structure for the production for high quality carbon fibers.

The impact of carbon-13 and deuterium on relative quantification of proteins using stable isotope diethyl labeling.

PubMed

Koehler, Christian J; Arntzen, Magnus Ø; Thiede, Bernd

2015-05-15

Stable isotopic labeling techniques are useful for quantitative proteomics. A cost-effective and convenient method for diethylation by reductive amination was established. The impact using either carbon-13 or deuterium on quantification accuracy and precision was investigated using diethylation. We established an effective approach for stable isotope labeling by diethylation of amino groups of peptides. The approach was validated using matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) and nanospray liquid chromatography/electrospray ionization (nanoLC/ESI)-ion trap/orbitrap for mass spectrometric analysis as well as MaxQuant for quantitative data analysis. Reaction conditions with low reagent costs, high yields and minor side reactions were established for diethylation. Furthermore, we showed that diethylation can be applied to up to sixplex labeling. For duplex experiments, we compared diethylation in the analysis of the proteome of HeLa cells using acetaldehyde-(13) C(2)/(12) C(2) and acetaldehyde-(2) H(4)/(1) H(4). Equal numbers of proteins could be identified and quantified; however, (13) C(4)/(12) C(4) -diethylation revealed a lower variance of quantitative peptide ratios within proteins resulting in a higher precision of quantified proteins and less falsely regulated proteins. The results were compared with dimethylation showing minor effects because of the lower number of deuteriums. The described approach for diethylation of primary amines is a cost-effective and accurate method for up to sixplex relative quantification of proteomes. (13) C(4)/(12) C(4) -diethylation enables duplex quantification based on chemical labeling without using deuterium which reduces identification of false-negatives and increases the quality of the quantification results. Copyright © 2015 John Wiley & Sons, Ltd.

Drought-related leaf phenology in tropical forests - Insights from a stochastic eco-hydrological approach

NASA Astrophysics Data System (ADS)

Vico, G.; Feng, X.; Dralle, D.; Thompson, S. E.; Manzoni, S.

2016-12-01

Drought deciduousness is a common phenological strategy to cope with water shortages during periodic dry spells or during the dry season in tropical forests. On one hand, shedding leaves allows avoiding drought stress, but implies leaf construction costs that evergreen species need to sustain less frequently. On the other hand, maintaining leaves during dry periods requires stable water sources, traits enabling leaves to remain active at low water potential, and carbon stores to sustain respiration costs in periods with little carbon uptake. Which of these strategies is the most competitive ultimately depends on the balance of carbon costs and gains in the long-term. In turn, this balance is affected by the hydro-climatic conditions, in terms of both length of the dry season and random rainfall occurrences during the wet season. To address the question as to which hydro-climatic conditions favor drought-deciduous vs. evergreen leaf habit in tropical forests, we develop a stochastic eco-hydrological framework that provides probability density functions of long-term carbon gain in tropical trees with a range of phenological strategies. From these distributions we compute the long-term mean carbon gain and use it as a measure of fitness and thus reproductive success. Finally, this measure is used to assess which phenological strategies are evolutionarily stable, providing an objective criterion to predict how likely a species with a certain phenological strategy is to invade a community dominated but another strategy. In general, we find that deciduous habit is evolutionary stable in more unpredictable climates for a given total rainfall, and in drier climates. However, a minimum annual rainfall is required for any strategy to have a positive carbon gain.

Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles.

PubMed

Snyder, David A; Montelione, Gaetano T

2005-06-01

An important open question in the field of NMR-based biomolecular structure determination is how best to characterize the precision of the resulting ensemble of structures. Typically, the RMSD, as minimized in superimposing the ensemble of structures, is the preferred measure of precision. However, the presence of poorly determined atomic coordinates and multiple "RMSD-stable domains"--locally well-defined regions that are not aligned in global superimpositions--complicate RMSD calculations. In this paper, we present a method, based on a novel, structurally defined order parameter, for identifying a set of core atoms to use in determining superimpositions for RMSD calculations. In addition we present a method for deciding whether to partition that core atom set into "RMSD-stable domains" and, if so, how to determine partitioning of the core atom set. We demonstrate our algorithm and its application in calculating statistically sound RMSD values by applying it to a set of NMR-derived structural ensembles, superimposing each RMSD-stable domain (or the entire core atom set, where appropriate) found in each protein structure under consideration. A parameter calculated by our algorithm using a novel, kurtosis-based criterion, the epsilon-value, is a measure of precision of the superimposition that complements the RMSD. In addition, we compare our algorithm with previously described algorithms for determining core atom sets. The methods presented in this paper for biomolecular structure superimposition are quite general, and have application in many areas of structural bioinformatics and structural biology.

The plasma separation process as a pre-cursor for large scale radioisotope production

NASA Astrophysics Data System (ADS)

Stevenson, Nigel R.

2001-07-01

Radioisotope production generally employs either accelerators or reactors to convert stable (usually enriched) isotopes into the desired product species. Radioisotopes have applications in industry, environmental sciences, and most significantly in medicine. The production of many potentially useful radioisotopes is significantly hindered by the lack of availability or by the high cost of key enriched stable isotopes. To try and meet this demand, certain niche enrichment processes have been developed and commercialized. Calutrons, centrifuges, and laser separation processes are some of the devices and techniques being employed to produce large quantities of selective enriched stable isotopes. Nevertheless, the list of enriched stable isotopes in sufficient quantities remains rather limited and this continues to restrict the availability of many radioisotopes that otherwise could have a significant impact on society. The Plasma Separation Process is a newly available commercial technique for producing large quantities of a wide range of enriched isotopes and thereby holds promise of being able to open the door to producing new and exciting applications of radioisotopes in the future.

Exceptionally High Proton and Lithium Cation Gas-Phase Basicity of the Anti-Diabetic Drug Metformin.

PubMed

Raczyńska, Ewa D; Gal, Jean-François; Maria, Pierre-Charles; Michalec, Piotr; Zalewski, Marcin

2017-11-16

Substituted biguanides are known for their biological effect, and a few of them are used as drugs, the most prominent example being metformin (1,1-dimethylbiguanide, IUPAC name: N,N-dimethylimidodicarbonimidic diamide). Because of the presence of hydrogen atoms at the amino groups, biguanides exhibit a multiple tautomerism. This aspect of their structures was examined in detail for unsubstituted biguanide and metformin in the gas phase. At the density functional theory (DFT) level {essentially B3LYP/6-311+G(d,p)}, the most stable structures correspond to the conjugated, push-pull, system (NR 2 )(NH 2 )C═N-C(═NH)NH 2 (R = H, CH 3 ), further stabilized by an internal hydrogen bond. The structural and energetic aspects of protonation and lithium cation adduct formation of biguanide and metformin was examined at the same level of theory. The gas-phase protonation energetics reveal that the more stable tautomer is protonated at the terminal imino C═NH site, still with an internal hydrogen bond maintaining the structure of the neutral system. The calculated proton affinity and gas-phase basicity of the two molecules reach the domain of superbasicity. By contrast, the lithium cation prefers to bind the less stable, not fully conjugated, tautomer (NR 2 )C(═NH)-NH-C(═NH)NH 2 of biguanides, in which the two C═NH groups are separated by NH. This less stable form of biguanides binds Li + as a bidentate ligand, in agreement with what was reported in the literature for other metal cations in the solid phase. The quantitative assessment of resonance in biguanide, in metformin and in their protonated forms, using the HOMED and HOMA indices, reveals an increase in electron delocalization upon protonation. On the contrary, the most stable lithium cation adducts are less conjugated than the stable neutral biguanides, because the metal cation is better coordinated by the not-fully conjugated bidentate tautomer.

A General, Adaptive, Roadmap-Based Algorithm for Protein Motion Computation.

PubMed

Molloy, Kevin; Shehu, Amarda

2016-03-01

Precious information on protein function can be extracted from a detailed characterization of protein equilibrium dynamics. This remains elusive in wet and dry laboratories, as function-modulating transitions of a protein between functionally-relevant, thermodynamically-stable and meta-stable structural states often span disparate time scales. In this paper we propose a novel, robotics-inspired algorithm that circumvents time-scale challenges by drawing analogies between protein motion and robot motion. The algorithm adapts the popular roadmap-based framework in robot motion computation to handle the more complex protein conformation space and its underlying rugged energy surface. Given known structures representing stable and meta-stable states of a protein, the algorithm yields a time- and energy-prioritized list of transition paths between the structures, with each path represented as a series of conformations. The algorithm balances computational resources between a global search aimed at obtaining a global view of the network of protein conformations and their connectivity and a detailed local search focused on realizing such connections with physically-realistic models. Promising results are presented on a variety of proteins that demonstrate the general utility of the algorithm and its capability to improve the state of the art without employing system-specific insight.

Lifetime of a Chemically Bound Helium Compound

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Lundell, Jan; Gerber, R. Benny; Kwak, Dochan (Technical Monitor)

2001-01-01

The rare-gas atoms are chemically inert, to an extent unique among all elements. This is due to the stable electronic structure of the atoms. Stable molecules with chemically bound rare-gas atoms are, however, known. A first such compound, XePtF6, W2S prepared in 1962 and since then a range of molecules containing radon, xenon and krypton have been obtained. Most recently, a first stable chemically bound compound of argon was prepared, leaving neon and helium as the only elements for which stable chemically bound molecules are not yet known. Electronic structure calculations predict that a metastable species HHeF exists, but significance of the result depends on the unknown lifetime. Here we report quantum dynamics calculations of the lifetime of HHeF, using accurate interactions computed from electronic structure theory. HHeF is shown to disintegrate by tunneling through energy barriers into He + HF and H + He + F the first channel greatly dominating. The lifetime of HHeF is more than 120 picoseconds, that of DHeF is 14 nanoseconds. The relatively long lifetimes are encouraging for the preparation prospects of this first chemically bound helium compound.

Size Evolution of Nanoclusters: Comparison Between the Phase Diagram and Properties of MO-S and Carbon Nanoparticles

NASA Astrophysics Data System (ADS)

Tenne, R.

In this article a comparison between inorganic nanoparticles with hollow closed structure and the carbon fullerenes and nanotubes is undertaken. First, the structural evolution of inorganic fullerene-like (IF) nanoparticles of MoS2 as a function of their size is examined in some detail and compared to that of carbon and BN fullerenes. It is shown that hollow closed structures of MoS2 are stable above 3 nm (app 103 atoms). In the range of 3-8 nm (103-105) nanooctahedra with metallic character are the most stable form of MoS2 Semiconducting nanotubes and quasispherical IF nano-particles become the stable-most form beyond that size and the bulk (platelets) are stable above about 0.2 μm. The stability of inorganic nanotubes is also discussed. The scaling-up of the synthesis of IF-WS2 and the very recent successful synthesis of large, amounts of pure WS2 nanotubes are briefly described. The stability of IF and INT of MoS2 (WS2) under pressure and that of carbon is also discussed. Applications of the IF-WS2 as superior solid lubricants, which lead to their recent commercialization, is demonstrated.

Polymorphs and polymorphic cocrystals of temozolomide.

PubMed

Babu, N Jagadeesh; Reddy, L Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini

2008-07-07

Crystal polymorphism in the antitumor drug temozolomide (TMZ), cocrystals of TMZ with 4,4'-bipyridine-N,N'-dioxide (BPNO), and solid-state stability were studied. Apart from a known X-ray crystal structure of TMZ (form 1), two new crystalline modifications, forms 2 and 3, were obtained during attempted cocrystallization with carbamazepine and 3-hydroxypyridine-N-oxide. Conformers A and B of the drug molecule are stabilized by intramolecular amide N--HN(imidazole) and N--HN(tetrazine) interactions. The stable conformer A is present in forms 1 and 2, whereas both conformers crystallized in form 3. Preparation of polymorphic cocrystals I and II (TMZBPNO 1:0.5 and 2:1) were optimized by using solution crystallization and grinding methods. The metastable nature of polymorph 2 and cocrystal II is ascribed to unused hydrogen-bond donors/acceptors in the crystal structure. The intramolecularly bonded amide N-H donor in the less stable structure makes additional intermolecular bonds with the tetrazine C==O group and the imidazole N atom in stable polymorph 1 and cocrystal I, respectively. All available hydrogen-bond donors and acceptors are used to make intermolecular hydrogen bonds in the stable crystalline form. Synthon polymorphism and crystal stability are discussed in terms of hydrogen-bond reorganization.

Structural confirmation and spectroscopic study of a biomolecule: Norepinephrine.

PubMed

Yadav, T; Mukherjee, V

2018-05-21

The present work deals with the conformational and vibrational spectroscopic study of an important bio-molecule named norepinephrine in gas phase. The FTIR and FTRaman spectrum of norepinephrine in amorphous form were recorded in wavenumber range 4000-400 cm -1 and 4000-50 cm -1 respectively. We have investigated twenty-seven stable conformational structures of norepinephrine molecule. All the calculations have been done using Density Functional Theory with exchange functional B3LYP incorporated with the 6-31++G(d, p) basis set. The effect of hydrochloride on different bond lengths, bond angles and dihedral angles in the most stable conformer has also been studied. The total potential energy distribution for both the most stable conformer and the most stable conformer in hydrochloride was performed with the help Normal coordinate analysis method. Most of the calculated vibrational frequencies are in good agreement with the experimental frequencies. The natural bond orbital analysis was also performed to ensure the stability of electronic structures of norepinephrine. To know chemical reactivity of norepinephrine molecule we have calculated the energy gap between HOMO and LUMO orbitals and it has found above 5 eV in all the conformers. Copyright © 2018 Elsevier B.V. All rights reserved.

Stability and Structure of Star-Shape Granules

NASA Astrophysics Data System (ADS)

Zhao, Yuchen; Bares, Jonathan; Zheng, Matthew; Dierichs, Karola; Menges, Achim; Behringer, Robert

2015-11-01

Columns are made of convex non-cohesive grains like sand collapse after being released from initial positions. On the other hand, various architectures built by concave grains can maintain stability. We explore why these structures are stable, and how stable they can be. We performed experiments by randomly pouring identical star-shape particles into hollow cylinders left on glass and a rough base, and observed stable granular columns after lifting the cylinders. Particles have six 9 mm arms, which extend symmetrically in the xyz directions. Both the probability of creating a stable column and mechanical stability aspects have been investigated. We define r as the weight fraction of particles that fall out of the column after removing confinement. r gradually increases as the column height increases, or the column diameter decreases. We also explored different experiment conditions such as vibration of columns with confinement, or large basal friction. We also consider different stability measures such as the maximum inclination angle or maximum weight a column can support. In order to understand structure leading to stability, 3D CT scan reconstructions of columns have been done and coordination number and packing density will be discussed. We acknowledge supports from W.M.Keck Foundation and Research Triangle MRSEC.

Metallic hydrogen with a strong electron-phonon interaction at a pressure of 300-500 GPa

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Mazur, E. A.; Grishakov, K. S.

2017-08-01

Atomic metallic hydrogen with a lattice with FDDD symmetry is shown to have a stable phase under hydrostatic compression pressure in the range of 350-500 GPа. The resulting structure has a stable spectrum regarding the collapse of the phonons. Ab-unitio simulation method has been used to calculate the structural, electronic, phononic and other characteristics of the normal metallic phase of the hydrogen at a pressure of 350-500 GPA.

Amber light-emitting diode comprising a group III-nitride nanowire active region

DOEpatents

Wang, George T.; Li, Qiming; Wierer, Jr., Jonathan J.; Koleske, Daniel

2014-07-22

A temperature stable (color and efficiency) III-nitride based amber (585 nm) light-emitting diode is based on a novel hybrid nanowire-planar structure. The arrays of GaN nanowires enable radial InGaN/GaN quantum well LED structures with high indium content and high material quality. The high efficiency and temperature stable direct yellow and red phosphor-free emitters enable high efficiency white LEDs based on the RGYB color-mixing approach.

Pulpwood Prices for the Midsouth, 1982

Treesearch

James F. Rosson

1984-01-01

Average prices for roundwood, chipped residues, and saw-dust rose 4 percent from 1981 to 1982. Pulpwood price increases are due to inflation as real costs have remained stable. The price for softwood roundwood is $52.89 per cord; hardwood roundwood is $39.79 per cord.

Simple and cost-effective hardware and software for functional brain mapping using intrinsic optical signal imaging.

PubMed

Harrison, Thomas C; Sigler, Albrecht; Murphy, Timothy H

2009-09-15

We describe a simple and low-cost system for intrinsic optical signal (IOS) imaging using stable LED light sources, basic microscopes, and commonly available CCD cameras. IOS imaging measures activity-dependent changes in the light reflectance of brain tissue, and can be performed with a minimum of specialized equipment. Our system uses LED ring lights that can be mounted on standard microscope objectives or video lenses to provide a homogeneous and stable light source, with less than 0.003% fluctuation across images averaged from 40 trials. We describe the equipment and surgical techniques necessary for both acute and chronic mouse preparations, and provide software that can create maps of sensory representations from images captured by inexpensive 8-bit cameras or by 12-bit cameras. The IOS imaging system can be adapted to commercial upright microscopes or custom macroscopes, eliminating the need for dedicated equipment or complex optical paths. This method can be combined with parallel high resolution imaging techniques such as two-photon microscopy.

Cost-efficient entrapment of β-glucosidase in nanoscale latex and silicone polymeric thin films for use as stable biocatalysts.

PubMed

Javed, Muhammad Rizwan; Buthe, Andreas; Rashid, Muhammad Hamid; Wang, Ping

2016-01-01

β-Glucosidase is an ubiquitous enzyme which has enormous biotechnological applications. Its deficiency in natural enzyme preparations is often overcome by exogenous supplementation, which further increases the enzyme utilization cost. Enzyme immobilization offers a potential solution through enzyme recycling and easy recovery. In the present work Aspergillus niger β-glucosidase is immobilized within nanoscale polymeric materials (polyurethane, latex and silicone), through entrapment, and subsequently coated onto a fibrous support. Highest apparent activity (90 U g(-1) polymer) was observed with latex, while highest entrapment efficiency (93%) was observed for the silicone matrix. Immobilization resulted in the thermo-stabilization of the β-glucosidase with an increase in optimum temperature and activation energy for cellobiose hydrolysis. Supplementation to cellulases also resulted in an increased cellulose hydrolysis, while retaining more than 70% functional stability. Hence, the current study describes novel preparations of immobilized β-glucosidase as highly stable and active catalysts for industrial food- and bio-processing applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Rapid high-throughput cloning and stable expression of antibodies in HEK293 cells.

PubMed

Spidel, Jared L; Vaessen, Benjamin; Chan, Yin Yin; Grasso, Luigi; Kline, J Bradford

2016-12-01

Single-cell based amplification of immunoglobulin variable regions is a rapid and powerful technique for cloning antigen-specific monoclonal antibodies (mAbs) for purposes ranging from general laboratory reagents to therapeutic drugs. From the initial screening process involving small quantities of hundreds or thousands of mAbs through in vitro characterization and subsequent in vivo experiments requiring large quantities of only a few, having a robust system for generating mAbs from cloning through stable cell line generation is essential. A protocol was developed to decrease the time, cost, and effort required by traditional cloning and expression methods by eliminating bottlenecks in these processes. Removing the clonal selection steps from the cloning process using a highly efficient ligation-independent protocol and from the stable cell line process by utilizing bicistronic plasmids to generate stable semi-clonal cell pools facilitated an increased throughput of the entire process from plasmid assembly through transient transfections and selection of stable semi-clonal cell pools. Furthermore, the time required by a single individual to clone, express, and select stable cell pools in a high-throughput format was reduced from 4 to 6months to only 4 to 6weeks. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Spatial variations in food web structures with alternative stable states: evidence from stable isotope analysis in a large eutrophic lake

NASA Astrophysics Data System (ADS)

Li, Yunkai; Zhang, Yuying; Xu, Jun; Zhang, Shuo

2018-03-01

Food web structures are well known to vary widely among ecosystems. Moreover, many food web studies of lakes have generally attempted to characterize the overall food web structure and have largely ignored internal spatial and environmental variations. In this study, we hypothesize that there is a high degree of spatial heterogeneity within an ecosystem and such heterogeneity may lead to strong variations in environmental conditions and resource availability, in turn resulting in different trophic pathways. Stable carbon and nitrogen isotopes were employed for the whole food web to describe the structure of the food web in different sub-basins within Taihu Lake. This lake is a large eutrophic freshwater lake that has been intensively managed and highly influenced by human activities for more than 50 years. The results show significant isotopic differences between basins with different environmental characteristics. Such differences likely result from isotopic baseline differences combining with a shift in food web structure. Both are related to local spatial heterogeneity in nutrient loading in waters. Such variation should be explicitly considered in future food web studies and ecosystem-based management in this lake ecosystem.

Structural transformations in Ge{sub 2}Sb{sub 2}Te{sub 5} under high pressure and temperature

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

Mio, A. M.; Privitera, S., E-mail: stefania.privitera@imm.cnr.it; D'Arrigo, G.

2015-08-14

The structural transformations occurring in Ge{sub 2}Sb{sub 2}Te{sub 5} films heated at temperature up to 400 °C, and under hydrostatic pressure up to 12 GPa, have been investigated through in-situ X ray diffraction measurements. The adopted experimental conditions are close to those experienced by the phase change material during the SET (crystallization)/RESET (amorphization) processes in a nonvolatile memory device. The compression enhances the thermal stability of the amorphous phase, which remains stable up to 180 °C at 8 GPa and to 230 °C at 12 GPa. The structure of the crystalline phases is also modified, with the formation of a CsCl-type structure instead of rock-salt andmore » of a GeS-type structure at the temperature at which usually the trigonal stable phase is formed. Overall, the stability of the stable phase appears to be more affected by the compression. We argue that the presence of weak bonds associated to the van der Waals gaps is a determining factor for the observed reduced stability.« less

Probing structure, thermochemistry, electron affinity, and magnetic moment of thulium-doped silicon clusters TmSi n (n = 3-10) and their anions with density functional theory.

PubMed

Huang, Xintao; Yang, Jucai

2017-12-26

The most stable structures and electronic properties of TmSi n (n = 3-10) clusters and their anions have been probed by using the ABCluster global search technique combined with the PBE, TPSSh, and B3LYP density functional methods. The results revealed that the most stable structures of neutral TmSi n and their anions can be regarded as substituting a Si atom of the ground state structure of Si n + 1 with a Tm atom. The reliable AEAs, VDEs and simulated PES of TmSi n (n = 3-10) are presented. Calculations of HOMO-LUMO gap revealed that introducing Tm atom to Si cluster can improve photochemical reactivity of the cluster. The NPA analyses indicated that the 4f electron of Tm atom in TmSi n (n = 3-10) and their anions do not participate in bonding. The total magnetic moments of TmSi n are mainly provided by the 4f electrons of Tm atom. The dissociation energy of Tm atom from the most stable structure of TmSi n and their anions has been calculated to examine relative stability.

Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

NASA Astrophysics Data System (ADS)

Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

2018-03-01

Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

Thermal green protein, an extremely stable, nonaggregating fluorescent protein created by structure-guided surface engineering

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

Close, Devin W.; Paul, Craig Don; Langan, Patricia S.

In this paper, we describe the engineering and X-ray crystal structure of Thermal Green Protein (TGP), an extremely stable, highly soluble, non-aggregating green fluorescent protein. TGP is a soluble variant of the fluorescent protein eCGP123, which despite being highly stable, has proven to be aggregation-prone. The X-ray crystal structure of eCGP123, also determined within the context of this paper, was used to carry out rational surface engineering to improve its solubility, leading to TGP. The approach involved simultaneously eliminating crystal lattice contacts while increasing the overall negative charge of the protein. Despite intentional disruption of lattice contacts and introduction ofmore » high entropy glutamate side chains, TGP crystallized readily in a number of different conditions and the X-ray crystal structure of TGP was determined to 1.9 Å resolution. The structural reasons for the enhanced stability of TGP and eCGP123 are discussed. We demonstrate the utility of using TGP as a fusion partner in various assays and significantly, in amyloid assays in which the standard fluorescent protein, EGFP, is undesirable because of aberrant oligomerization.« less

Thermal green protein, an extremely stable, nonaggregating fluorescent protein created by structure-guided surface engineering

DOE PAGES

Close, Devin W.; Paul, Craig Don; Langan, Patricia S.; ...

2015-05-08

In this paper, we describe the engineering and X-ray crystal structure of Thermal Green Protein (TGP), an extremely stable, highly soluble, non-aggregating green fluorescent protein. TGP is a soluble variant of the fluorescent protein eCGP123, which despite being highly stable, has proven to be aggregation-prone. The X-ray crystal structure of eCGP123, also determined within the context of this paper, was used to carry out rational surface engineering to improve its solubility, leading to TGP. The approach involved simultaneously eliminating crystal lattice contacts while increasing the overall negative charge of the protein. Despite intentional disruption of lattice contacts and introduction ofmore » high entropy glutamate side chains, TGP crystallized readily in a number of different conditions and the X-ray crystal structure of TGP was determined to 1.9 Å resolution. The structural reasons for the enhanced stability of TGP and eCGP123 are discussed. We demonstrate the utility of using TGP as a fusion partner in various assays and significantly, in amyloid assays in which the standard fluorescent protein, EGFP, is undesirable because of aberrant oligomerization.« less

Positive impact of infection prevention on the management of nosocomial outbreaks at an academic hospital.

PubMed

Dik, Jan-Willem H; Sinha, Bhanu; Lokate, Mariëtte; Lo-Ten-Foe, Jerome R; Dinkelacker, Ariane G; Postma, Maarten J; Friedrich, Alexander W

2016-10-01

Infection prevention (IP) measures are vital to prevent (nosocomial) outbreaks. Financial evaluations of these are scarce. An incremental cost analysis for an academic IP unit was performed. On a yearly basis, we evaluated: IP measures; costs thereof; numbers of patients at risk for causing nosocomial outbreaks; predicted outbreak patients; and actual outbreak patients. IP costs rose on average yearly with €150,000; however, more IP actions were undertaken. Numbers of patients colonized with high-risk microorganisms increased. The trend of actual outbreak patients remained stable. Predicted prevented outbreak patients saved costs, leading to a positive return on investment of 1.94. This study shows that investments in IP can prevent outbreak cases, thereby saving enough money to earn back these investments.

Direct treatment costs of HIV/AIDS in Portugal.

PubMed

Perelman, Julian; Alves, Joana; Miranda, Ana Cláudia; Mateus, Céu; Mansinho, Kamal; Antunes, Francisco; Oliveira, Joaquim; Poças, José; Doroana, Manuela; Marques, Rui; Teófilo, Eugénio; Pereira, João

2013-10-01

To analyze the direct medical costs of HIV/AIDS in Portugal from the perspective of the National Health Service. A retrospective analysis of medical records was conducted for 150 patients from five specialized centers in Portugal in 2008. Data on utilization of medical resources during 12 months and patients' characteristics were collected. A unit cost was applied to each care component using official sources and accounting data from National Health Service hospitals. The average cost of treatment was 14,277 €/patient/year. The main cost-driver was antiretroviral treatment (€ 9,598), followed by hospitalization costs (€ 1,323). Treatment costs increased with the severity of disease from € 11,901 (> 500 CD4 cells/µl) to € 23,351 (CD4 count ≤ 50 cells/ µl). Cost progression was mainly due to the increase in hospitalization costs, while antiretroviral treatment costs remained stable over disease stages. The high burden related to antiretroviral treatment is counterbalanced by relatively low hospitalization costs, which, however, increase with severity of disease. The relatively modest progression of total costs highlights that alternative public health strategies that do not affect transmission of disease may only have a limited impact on expenditure, since treatment costs are largely dominated by constant antiretroviral treatment costs.

Limits of Predictability of Cascading Overload Failures in Spatially-Embedded Networks with Distributed Flows.

PubMed

Moussawi, A; Derzsy, N; Lin, X; Szymanski, B K; Korniss, G

2017-09-15

Cascading failures are a critical vulnerability of complex information or infrastructure networks. Here we investigate the properties of load-based cascading failures in real and synthetic spatially-embedded network structures, and propose mitigation strategies to reduce the severity of damages caused by such failures. We introduce a stochastic method for optimal heterogeneous distribution of resources (node capacities) subject to a fixed total cost. Additionally, we design and compare the performance of networks with N-stable and (N-1)-stable network-capacity allocations by triggering cascades using various real-world node-attack and node-failure scenarios. We show that failure mitigation through increased node protection can be effectively achieved against single-node failures. However, mitigating against multiple node failures is much more difficult due to the combinatorial increase in possible sets of initially failing nodes. We analyze the robustness of the system with increasing protection, and find that a critical tolerance exists at which the system undergoes a phase transition, and above which the network almost completely survives an attack. Moreover, we show that cascade-size distributions measured in this region exhibit a power-law decay. Finally, we find a strong correlation between cascade sizes induced by individual nodes and sets of nodes. We also show that network topology alone is a weak predictor in determining the progression of cascading failures.

Two methanes are better than one: a density functional theory study of the reactions of Mo2Oy- (y = 2-5) with methane.

PubMed

Mayhall, Nicholas J; Raghavachari, Krishnan

2007-08-23

The mechanisms of chemical reactions of molybdenum suboxide clusters Mo(2)O(n)- (n = 2-5) with methane are investigated using B3LYP hybrid density functional theory and polarized basis sets. In particular, we focus on the reactions of the most stable structural isomers of Mo(2)O(2,3,4,5)- that lead to single molybdenum species such as HMoO(2)CH(3)-, as seen in the recent experimental study of Jarrold and co-workers. We find that, while all experimentally observed products are unfavorable due to the high amount of energy required to cleave the metal oxide, the formation of HMoO(2)CH(3)- is least endothermic. Even in this case, the thermodynamics of these reactions is very unfavorable when a single methane is reacted with the metal oxide. However, we find that the sequential addition of two methanes produces HMoO(2)CH(3)- (and another neutral molecule whose identity depends on the number of oxygens in the metal oxide) at a much lower thermodynamic cost. Further, the overall reaction barriers are much lower when the second methane adds prior to the Mo(2)O(2,3,4,5)- cleavage. The methane addition at each metal center oxidizes the metals to produce a species that is then stable enough to afford the Mo-Mo cleavage.

Rumen-stable delivery systems.

PubMed

Papas; Wu

1997-12-08

Ruminants have a distinct digestive system which serves a unique symbiotic relationship between the host animal and predominantly anaerobic rumen bacteria and protozoa. Rumen fermentation can be both beneficial by enabling utilization of cellulose and non-protein nitrogen and detrimental by reducing the nutritive value of some carbohydrates, high biological value proteins and by hydrogenating unsaturated lipids. In addition it can also result in the modification and inactivation of many pharmacologically active ingredients administered to the host animal via the oral route. The advances in ruminant nutrition and health demand a rumen-stable delivery system which can deliver the active ingredient post-ruminally while simultaneously meet efficacy, safety and cost criteria. In contrast to drug delivery systems for humans, the demand for low-cost has hindered the development of effective rumen-stable delivery systems. Historically, heat and chemical treatment of feed components, low solubility analogues or lipid-based formulations have been used to achieve some degree of rumen-stability, and products have been developed accordingly. Recently, a polymeric pH-dependent rumen-stable delivery system has been developed and commercialized. The rationale of this delivery system is based on the pH difference between ruminal and abomasal fluids. The delivery system is composed of a basic polymer, a hydrophobic substance and a pigment material. It can be applied as a coating to solid particles via a common encapsulation method such as air-suspension coating. In the future, the delivery system could be used to deliver micronutrients and pharmaceuticals post-ruminally to ruminant animals. A further possible application of the delivery system is that it could also be combined with other controlled delivery devices/systems in order to enhance slow release or to achieve targeted delivery needs for ruminants. This paper discusses the rumen protection and the abomasal release mechanism of the polymeric coating. It also reviews other rumen stable delivery systems and methods for evaluating their in vitro and in vivo performance.

Follow-Up Consultation Through a Healthcare Kiosk for Patients with Stable Chronic Disease in a Primary Care Setting: A Prospective Study.

PubMed

Bahadin, Juliana; Shum, Eugene; Ng, Grace; Tan, Nicolette; Sellayah, Pushpavalli; Tan, Sze Wee

2017-05-01

The global healthcare kiosk market is growing, and kiosks are projected to be a larger part of healthcare delivery in the coming decades. We developed an unmanned healthcare kiosk that automates the management of stable patients with chronic conditions to complement face-to-face primary care physician (PCP) visits. The aim of our study was to show that the kiosk could be a feasible means of delivering care for stable patients with chronic conditions and could generate cost savings for the management of patients with stable chronic disease. We conducted a prospective single-arm study of 95 participants with well-controlled chronic cardiovascular diseases who visited our clinic in Singapore every 3 months for review and medication refill. During their subsequent appointments for chronic disease management at 3 and 6 months, participants used the kiosk instead of consulting a physician. All participants who used the kiosk were also evaluated by a nurse clinician (NC). The kiosk assessment of whether the patient was well controlled was then compared to the NC's assessment to determine rates of agreement. Patient satisfaction was evaluated through a questionnaire, and any adverse outcomes were documented. Cohen's κ for agreement between the kiosk and the NC assessment of patients' chronic care control was 0.575 (95% CI, 0.437-0.713). The modest agreement was due to differences in systolic blood pressure measurements between the kiosk and the NC. The 96% of participants who completed two kiosk visits were all satisfied with the kiosk as a care delivery alternative. None of the participants managed through the kiosk suffered any adverse outcomes. Use of the kiosk resulted in a reduction of 128 face-to-face PCP visits. Healthcare kiosks can potentially be used to complement primary care clinician visits for managing patients with stable chronic diseases and can generate cost savings.