A multiconfigurational hybrid density-functional theory

DEFF Research Database (Denmark)

Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jørgen Aagaard

2012-01-01

We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the electron-electron interaction. This gives a straightforward extension ...

Hybrid nanostructures: synthesis, morphology and functional properties

International Nuclear Information System (INIS)

Povolotskaya, A V; Povolotskiy, A V; Manshina, A A

2015-01-01

Hybrid nanostructures representing combinations of different materials and possessing properties that are absent in separate components forming the hybrid are discussed. Particular attention is given to hybrid structures containing plasmonic and magnetic nanoparticles, methods of their synthesis and the relationship between the composition, structure and properties. The functional features of the hybrid nanomaterials of various morphology (with core–shell structures, with encapsulated metal nanoparticles and with metal nanoparticles on the surface) are considered. The unique properties of these hybrid materials are demonstrated, which are of interest for solving problems of catalysis and photocatalysis, detecting impurities in various media, in vivo visualization, bioanalysis, as well as for the design of optical labels and multifunctional diagnostic nanoplatforms. The bibliography includes 182 references

VLSI Implementation of Hybrid Wave-Pipelined 2D DWT Using Lifting Scheme

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G. Seetharaman

2008-01-01

Full Text Available A novel approach is proposed in this paper for the implementation of 2D DWT using hybrid wave-pipelining (WP. A digital circuit may be operated at a higher frequency by using either pipelining or WP. Pipelining requires additional registers and it results in more area, power dissipation and clock routing complexity. Wave-pipelining does not have any of these disadvantages but requires complex trial and error procedure for tuning the clock period and clock skew between input and output registers. In this paper, a hybrid scheme is proposed to get the benefits of both pipelining and WP techniques. In this paper, two automation schemes are proposed for the implementation of 2D DWT using hybrid WP on both Xilinx, San Jose, CA, USA and Altera FPGAs. In the first scheme, Built-in self-test (BIST approach is used to choose the clock skew and clock period for I/O registers between the wave-pipelined blocks. In the second approach, an on-chip soft-core processor is used to choose the clock skew and clock period. The results for the hybrid WP are compared with nonpipelined and pipelined approaches. From the implementation results, the hybrid WP scheme requires the same area but faster than the nonpipelined scheme by a factor of 1.25–1.39. The pipelined scheme is faster than the hybrid scheme by a factor of 1.15–1.39 at the cost of an increase in the number of registers by a factor of 1.78–2.73, increase in the number of LEs by a factor of 1.11–1.32 and it increases the clock routing complexity.

Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error

International Nuclear Information System (INIS)

Silva, Piotr de; Corminboeuf, Clémence

2015-01-01

The recently introduced density overlap regions indicator (DORI) [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10(9), 3745–3756 (2014)] is a density-dependent scalar field revealing regions of high density overlap between shells, atoms, and molecules. In this work, we exploit its properties to construct local hybrid exchange-correlation functionals aiming at balanced reduction of the self-interaction error. We show that DORI can successfully replace the ratio of the von Weizsäcker and exact positive-definite kinetic energy densities, which is commonly used in mixing functions of local hybrids. Additionally, we introduce several semi-empirical parameters to control the local and global admixture of exact exchange. The most promising of our local hybrids clearly outperforms the underlying semi-local functionals as well as their global hybrids

Towards improved local hybrid functionals by calibration of exchange-energy densities

International Nuclear Information System (INIS)

Arbuznikov, Alexei V.; Kaupp, Martin

2014-01-01

A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

A general range-separated double-hybrid density-functional theory.

Science.gov (United States)

Kalai, Cairedine; Toulouse, Julien

2018-04-28

A range-separated double-hybrid (RSDH) scheme which generalizes the usual range-separated hybrids and double hybrids is developed. This scheme consistently uses a two-parameter Coulomb-attenuating-method (CAM)-like decomposition of the electron-electron interaction for both exchange and correlation in order to combine Hartree-Fock exchange and second-order Møller-Plesset (MP2) correlation with a density functional. The RSDH scheme relies on an exact theory which is presented in some detail. Several semi-local approximations are developed for the short-range exchange-correlation density functional involved in this scheme. After finding optimal values for the two parameters of the CAM-like decomposition, the RSDH scheme is shown to have a relatively small basis dependence and to provide atomization energies, reaction barrier heights, and weak intermolecular interactions globally more accurate or comparable to range-separated MP2 or standard MP2. The RSDH scheme represents a new family of double hybrids with minimal empiricism which could be useful for general chemical applications.

Hydrogels from Biopolymer Hybrid for Biomedical, Food, and Functional Food Applications

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Robert C. Spiro

2012-04-01

Full Text Available Hybrid hydrogels from biopolymers have been applied for various indications across a wide range of biomedical, pharmaceutical, and functional food industries. In particular, hybrid hydrogels synthesized from two biopolymers have attracted increasing attention. The inclusion of a second biopolymer strengthens the stability of resultant hydrogels and enriches its functionalities by bringing in new functional groups or optimizing the micro-environmental conditions for certain biological and biochemical processes. This article presents approaches that have been used by our groups to synthesize biopolymer hybrid hydrogels for effective uses for immunotherapy, tissue regeneration, food and functional food applications. The research has achieved some challenging results, such as stabilizing physical structure, increasing mucoadhesiveness, and the creation of an artificial extracellular matrix to aid in guiding tissue differentiation.

Hybride magnetic nanostructure based on amino acids functionalized polypyrrole

Energy Technology Data Exchange (ETDEWEB)

Nan, Alexandrina, E-mail: alexandrina.nan@itim-cj.ro; Bunge, Alexander; Turcu, Rodica [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat, 400293 Cluj-Napoca (Romania)

2015-12-23

Conducting polypyrrole is especially promising for many commercial applications because of its unique optical, electric, thermal and mechanical properties. We report the synthesis and characterization of novel pyrrole functionalized monomers and core-shell hybrid nanostructures, consisting of a conjugated polymer layer (amino acids functionalized pyrrole copolymers) and a magnetic nanoparticle core. For functionalization of the pyrrole monomer we used several amino acids: tryptophan, leucine, phenylalanine, serine and tyrosine. These amino acids were linked via different types of hydrophobic linkers to the nitrogen atom of the pyrrole monomer. The magnetic core-shell hybrid nanostructures are characterized by various methods such as FTIR spectroscopy, transmission electron microscopy (TEM) and magnetic measurements.

Finansal Bilgi Manipülasyonunun Beneish Modeli Yardımıyla Ölçülmesi: BIST İmalat Sanayi Üzerine Bir Araştırma (Measurement of Financial Information Manipulation with The Help of Beneish Model: A Research on BIST Manufacturing Industry

Directory of Open Access Journals (Sweden)

Hakkı FINDIK

2016-03-01

Full Text Available The financial information manipulation has been the crucial subject of the recent years with the effect of various perspectives related to the earning management. Because of the conflicts of interest of information users, the manipulation possibility of the financial reports belonging to the businesses, which are the important actor of financial markets, is present. The managers can apply the financial information manipulation by showing the financial position and performance of business different from what they currently are thanks to the flexibility that the accrual basis of accounting provides them. In this study, the finding related to whether the businesses processing in BIST manufacturing industry have applied the financial information manipulation or not via Beneish model has been carried out. In addition to this, the finding related to which variables have effect on whether any businesses have carried out the financial information manipulation or not by using logistic regression has been done. The obtained results show powerful evidences on behalf of the fact that the financial information manipulation has taken its source from the accrual basis of accounting.

The Effects of Macro Economic Factors to Banking Sector Returns: Borsa Istanbul Cas e

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Gökhan Özkul

2015-12-01

Full Text Available Today, technological and scientific developments impact the banking sector and enhance the commercial, as well as financial functionality of the banking sector. Improvement of this functionality caused a gradual increase in the banks’ profits; as a result of which, the bank profits now has become more crucial for the market. The cruciality is a result of the fact that banking sector’s revenues do not concern the bank owners and partners only; the revenues also concern the investors that trade stocks of the banks. This paper discusses the macro economical factors that have certain impact on the bank revenues, to which more importance has been attached for recent years. This paper takes basis BIST Top 10 Bank Return Index monthly data between January 2010 and July 2014. The macro economic factors that have impact on bank returns are handled through multiple linear regression model. The analysis finds that BIST Top 100 Return Index has positive impact on BIST Top 10 bank return index, whereas money supply (M1, industrial production index and export unit value index has negative impact on BIST Top 10 Bank Return Index

Characteristic of Hybrid Cellulose-Amino Functionalized POSS-Silica Nanocomposite and Antimicrobial Activity

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Sivalingam Ramesh

2015-01-01

Full Text Available Recently, cellulose has much attention as an emerging renewable nanomaterial which holds promising properties having unique piezoelectricity, insulating, and biodegradable nature for various applications. Also, the modified properties of cellulose by appropriate chemical modifications in various functional groups with outstanding properties or significantly improved physical, chemical, biological, and electronic properties will widen the way for it to be utilized in different usages. Therefore, in this paper, cellulose-functionalized polyhedral oligomeric silsesquioxanes (POSS based materials were considered an important class of high-performance hybrid nanocomposite materials. To functionalize the regenerated cellulose, amino functionalized POSS material was synthesized via sol-gel covalent crosslinking process in presence of amino coupling agent. In this reaction, tetraethoxsilane (TEOS and γ-aminopropyltriethoxy silane (γ-APTES as coupling agent for metal precursors were selected. The chemical structure of cellulose-amine functionalized bonding and covalent crosslinking hybrids was confirmed by FTIR and 1H NMR spectral analysis. From the TEM results, well-dispersed hybrid cellulose-functionalized POSS-silica composites are observed. The resulting cellulose-POSS-silica hybrid nanocomposites materials provided significantly improved the optical transparency, and thermal and morphological properties to compare the cellulose-silica hybrid materials. Further, antimicrobial test against pathogenic bacteria was carried out.

An efficient method for hybrid density functional calculation with spin-orbit coupling

Science.gov (United States)

Wang, Maoyuan; Liu, Gui-Bin; Guo, Hong; Yao, Yugui

2018-03-01

In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When spin-orbit coupling (SOC) is taken into account, the non-collinear spin structure increases computing effort by at least eight times. As a result, hybrid functional calculations with SOC are intractable in most cases. In this paper, we present an approximate solution to this problem by developing an efficient method based on a mixed linear combination of atomic orbital (LCAO) scheme. We demonstrate the power of this method using several examples and we show that the results compare very well with those of direct hybrid functional calculations with SOC, yet the method only requires a computing effort similar to that without SOC. The presented technique provides a good balance between computing efficiency and accuracy, and it can be extended to magnetic materials.

A Hybrid Algorithm for Optimizing Multi- Modal Functions

Institute of Scientific and Technical Information of China (English)

Li Qinghua; Yang Shida; Ruan Youlin

2006-01-01

A new genetic algorithm is presented based on the musical performance. The novelty of this algorithm is that a new genetic algorithm, mimicking the musical process of searching for a perfect state of harmony, which increases the robustness of it greatly and gives a new meaning of it in the meantime, has been developed. Combining the advantages of the new genetic algorithm, simplex algorithm and tabu search, a hybrid algorithm is proposed. In order to verify the effectiveness of the hybrid algorithm, it is applied to solving some typical numerical function optimization problems which are poorly solved by traditional genetic algorithms. The experimental results show that the hybrid algorithm is fast and reliable.

Effects of an in vacancy on local distortion of fast phase transition in Bi-doped In3SbTe2

Science.gov (United States)

Choi, Minho; Choi, Heechae; Kim, Seungchul; Ahn, Jinho; Kim, Yong Tae

2017-12-01

Indium vacancies in Bi-doped In3SbTe2 (BIST) cause local distortion or and faster phase transition of BIST with good stability. The formation energy of the In vacancy in the BIST is relatively lower compared to that in IST due to triple negative charge state of the In vacancy ( V 3- In) and higher concentration of the V 3- In in BIST. The band gap of BIST is substantially reduced with increasing concentrations of the V 3- In and the hole carriers, which results in a higher electrical conductivity. The phase-change memory (PRAM) device fabricated with the BIST shows very fast, stable switching characteristics at lower voltages.

Non-covalently functionalized carbon nanostructures for synthesizing carbon-based hybrid nanomaterials.

Science.gov (United States)

Li, Haiqing; Song, Sing I; Song, Ga Young; Kim, Il

2014-02-01

Carbon nanostructures (CNSs) such as carbon nanotubes, graphene sheets, and nanodiamonds provide an important type of substrate for constructing a variety of hybrid nanomaterials. However, their intrinsic chemistry-inert surfaces make it indispensable to pre-functionalize them prior to immobilizing additional components onto their surfaces. Currently developed strategies for functionalizing CNSs include covalent and non-covalent approaches. Conventional covalent treatments often damage the structure integrity of carbon surfaces and adversely affect their physical properties. In contrast, the non-covalent approach offers a non-destructive way to modify CNSs with desired functional surfaces, while reserving their intrinsic properties. Thus far, a number of surface modifiers including aromatic compounds, small-molecular surfactants, amphiphilic polymers, and biomacromolecules have been developed to non-covalently functionalize CNS surfaces. Mediated by these surface modifiers, various functional components such as organic species and inorganic nanoparticles were further decorated onto their surfaces, resulting in versatile carbon-based hybrid nanomaterials with broad applications in chemical engineering and biomedical areas. In this review, the recent advances in the generation of such hybrid nanostructures based on non-covalently functionalized CNSs will be reviewed.

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers

Science.gov (United States)

Ratcliff, Laura E.; Degomme, A.; Flores-Livas, José A.; Goedecker, Stefan; Genovese, Luigi

2018-03-01

Performing high accuracy hybrid functional calculations for condensed matter systems containing a large number of atoms is at present computationally very demanding or even out of reach if high quality basis sets are used. We present a highly optimized multiple graphics processing unit implementation of the exact exchange operator which allows one to perform fast hybrid functional density-functional theory (DFT) calculations with systematic basis sets without additional approximations for up to a thousand atoms. With this method hybrid DFT calculations of high quality become accessible on state-of-the-art supercomputers within a time-to-solution that is of the same order of magnitude as traditional semilocal-GGA functionals. The method is implemented in a portable open-source library.

Hybridization State Detection of DNA-Functionalized Gold Nanoparticles Using Hyperspectral Imaging

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Richard C. Murdock

2017-01-01

Full Text Available Hyperspectral imaging has the unique ability of capturing spectral data for multiple wavelengths at each pixel in an image. This gives the ability to distinguish, with certainty, different nanomaterials and/or distinguish nanomaterials from biological materials. In this study, 4 nm and 13 nm gold nanoparticles (Au NPs were synthesized, functionalized with complimentary oligonucleotides, and hybridized to form large networks of NPs. Scattering spectra were collected from each sample (unfunctionalized, functionalized, and hybridized and evaluated. The spectra showed unique peaks for each size of Au NP sample and also exhibited narrowing and intensifying of the spectra as the NPs were functionalized and then subsequently hybridized. These spectra are different from normal aggregation effects where the LSPR and reflected spectrum broaden and are red-shifted. Rather, this appears to be dependent on the ability to control the interparticle distance through oligonucleotide length, which is also investigated through the incorporation of a poly-A spacer. Also, hybridized Au NPs were exposed to cells with no adverse effects and retained their unique spectral signatures. With the ability to distinguish between hybridization states at nearly individual NP levels, this could provide a new method of tracking the intracellular actions of nanomaterials as well as extracellular biosensing applications.

Hybrid functional calculation of electronic and phonon structure of BaSnO3

International Nuclear Information System (INIS)

Kim, Bog G.; Jo, J.Y.; Cheong, S.W.

2013-01-01

Barium stannate, BaSnO 3 (BSO), with a cubic perovskite structure, has been highlighted as a promising host material for the next generation transparent oxide electrodes. This study examined theoretically the electronic structure and phonon structure of BSO using hybrid density functional theory based on the HSE06 functional. The electronic structure results of BSO were corrected by extending the phonon calculations based on the hybrid density functional. The fundamental thermal properties were also predicted based on a hybrid functional calculation. Overall, a detailed understanding of the electronic structure, phonon modes and phonon dispersion of BSO will provide a theoretical starting-point for engineering applications of this material. - Graphical Abstract: (a) Crystal structure of BaSnO 3 . The center ball is Ba and small (red) ball on edge is oxygen and SnO 6 octahedrons are plotted as polyhedron. (b) Electronic band structure along the high symmetry point in the Brillouin zone using the HSE06 hybrid functional. (c) The phonon dispersion curve calculated using the HSE06 hybrid functional (d) Zone center lowest energy F 1u phonon mode. Highlights: ► We report the full hybrid functional calculation of not only the electronic structure but also the phonon structure for BaSnO 3 . ► The band gap calculation of HSE06 revealed an indirect gap with 2.48 eV. ► The effective mass at the conduction band minimum and valence band maximum was calculated. ► In addition, the phonon structure of BSO was calculated using the HSE06 functional. ► Finally, the heat capacity was calculated and compared with the recent experimental result.

Organophosphonate functionalized silicon nanowires for DNA hybridization studies

Energy Technology Data Exchange (ETDEWEB)

Pedone, Daniel; Cattani Scholz, Anna; Birner, Stefan; Abstreiter, Gerhard [WSI, TU Muenchen (Germany); Dubey, Manish; Schwartz, Jeffrey [Princeton University, NJ (United States); Tornow, Marc [IHT, TU Braunschweig (Germany)

2007-07-01

Semiconductor nanowire field effect devices have great appeal for label-free sensing applications due to their sensitivity to surface potential changes that may originate from charged adsorbates. In addition to requiring high sensitivity, suitable passivation and functionalization of the semiconductor surface is obligatory. We have fabricated both freely suspended and oxide-supported silicon nanowires from Silicon-on-Insulator substrates using standard nanopatterning methods (EBL, RIE) and sacrificial oxide layer etching. Subsequent to nanofabrication, the devices were first coated with an hydroxyalkylphosphonate monolayer and then bound via bifunctional linker groups to single stranded DNA or PNA oligonucleotides, respectively. We investigated DNA hybridization on such functionalized nanowires using a difference resistance setup, where subtracting the reference signal from a second wire could be used to exclude most non-specific effects. A net change in surface potential on the order of a few mV could be detected upon addition of the complementary DNA strand. This surface potential change corresponds to the hybridization of about 10{sup 10}cm{sup -2} probe strands according to our model calculations that takes into account the entire hybrid system in electrolyte solution.

Identification of novel CYP2D7-2D6 hybrids: non-functional and functional variants

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Andrea Gaedigk

2010-10-01

Full Text Available Polymorphic expression of CYP2D6 contributes to the wide range of activity observed for this clinically important drug metabolizing enzyme. In this report we describe novel CYP2D7/2D6 hybrid genes encoding non-functional and functional CYP2D6 protein and a CYP2D7 variant that mimics a CYP2D7/2D6 hybrid gene. Five kb long PCR products encompassing the novel genes were entirely sequenced. A quantitative assay probing in different gene regions was employed to determine CYP2D6 and 2D7 copy number variations and the relative position of the hybrid genes within the locus was assessed by long-range PCR. In addition to the previously known CYP2D6*13 and *66 hybrids, we describe three novel non-functional CYP2D7-2D6 hybrids with gene switching in exon 2 (CYP2D6*79, intron 2 (CYP2D6*80 and intron 5 (CYP2D6*67. A CYP2D7-specific T-ins in exon 1 causes a detrimental frame shift. One subject revealed a CYP2D7 conversion in the 5’-flanking region of a CYP2D6*35 allele, was otherwise unaffected (designated CYP2D6*35B. Finally, three DNAs revealed a CYP2D7 gene with a CYP2D6-like region downstream of exon 9 (designated CYP2D7[REP6]. Quantitative copy number determination, sequence analyses and long-range PCR mapping were in agreement and excluded the presence of additional gene units. Undetected hybrid genes may cause over-estimation of CYP2D6 activity (CYP2D6*1/*1 vs *1/hybrid, etc, but may also cause results that may interfere with the genotype determination. Detection of hybrid events, ‘single’ and tandem, will contribute to more accurate phenotype prediction from genotype data.

Combined hybrid functional and DFT+U calculations for metal chalcogenides

Energy Technology Data Exchange (ETDEWEB)

Aras, Mehmet; Kılıç, Çetin, E-mail: cetin-kilic@gyte.edu.tr [Department of Physics, Gebze Institute of Technology, Gebze, Kocaeli 41400 (Turkey)

2014-07-28

In the density-functional studies of materials with localized electronic states, the local/semilocal exchange-correlation functionals are often either combined with a Hubbard parameter U as in the LDA+U method or mixed with a fraction of exactly computed (Fock) exchange energy yielding a hybrid functional. Although some inaccuracies of the semilocal density approximations are thus fixed to a certain extent, the improvements are not sufficient to make the predictions agree with the experimental data. Here, we put forward the perspective that the hybrid functional scheme and the LDA+U method should be treated as complementary, and propose to combine the range-separated Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the Hubbard U. We thus present a variety of HSE+U calculations for a set of II-VI semiconductors, consisting of zinc and cadmium monochalcogenides, along with comparison to the experimental data. Our findings imply that an optimal value U{sup *} of the Hubbard parameter could be determined, which ensures that the HSE+U{sup *} calculation reproduces the experimental band gap. It is shown that an improved description not only of the electronic structure but also of the crystal structure and energetics is obtained by adding the U{sup *} term to the HSE functional, proving the utility of HSE+U{sup *} approach in modeling semiconductors with localized electronic states.

Functional divergence caused by ancient positive selection of a Drosophila hybrid incompatibility locus.

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Daniel A Barbash

2004-06-01

Full Text Available Interspecific hybrid lethality and sterility are a consequence of divergent evolution between species and serve to maintain the discrete identities of species. The evolution of hybrid incompatibilities has been described in widely accepted models by Dobzhansky and Muller where lineage-specific functional divergence is the essential characteristic of hybrid incompatibility genes. Experimentally tractable models are required to identify and test candidate hybrid incompatibility genes. Several Drosophila melanogaster genes involved in hybrid incompatibility have been identified but none has yet been shown to have functionally diverged in accordance with the Dobzhansky-Muller model. By introducing transgenic copies of the X-linked Hybrid male rescue (Hmr gene into D. melanogaster from its sibling species D. simulans and D. mauritiana, we demonstrate that Hmr has functionally diverged to cause F1 hybrid incompatibility between these species. Consistent with the Dobzhansky-Muller model, we find that Hmr has diverged extensively in the D. melanogaster lineage, but we also find extensive divergence in the sibling-species lineage. Together, these findings implicate over 13% of the amino acids encoded by Hmr as candidates for causing hybrid incompatibility. The exceptional level of divergence at Hmr cannot be explained by neutral processes because we use phylogenetic methods and population genetic analyses to show that the elevated amino-acid divergence in both lineages is due to positive selection in the distant past-at least one million generations ago. Our findings suggest that multiple substitutions driven by natural selection may be a general phenomenon required to generate hybrid incompatibility alleles.

Enzymatic synthesis of lignin-siloxane hybrid functional polymers.

Science.gov (United States)

Prasetyo, Endry Nugroho; Kudanga, Tukayi; Fischer, Roman; Eichinger, Reinhard; Nyanhongo, Gibson S; Guebitz, Georg M

2012-02-01

This study combines the properties of siloxanes and lignin polymers to produce hybrid functional polymers that can be used as adhesives, coating materials, and/or multifunctionalized thin-coating films. Lignin-silica hybrid copolymers were synthesized by using a sol-gel process. Laccases from Trametes hirsuta were used to oxidize lignosulphonates to enhance their reactivity towards siloxanes and then were incorporated into siloxane precursors undergoing a sol-gel process. In vitro copolymerization studies using pure lignin monomers with aminosilanes or ethoxytrimethylsilane and analysis by ²⁹Si NMR spectroscopy revealed hybrid products. Except for kraft lignin, an increase in lignin concentration positively affected the tensile strength in all samples. Similarly, the viscosity generally increased in all samples with increasing lignin concentration and also affected the curing time. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Performance analysis of hybrid ground-coupled heat pump system with multi-functions

International Nuclear Information System (INIS)

You, Tian; Wang, Baolong; Wu, Wei; Shi, Wenxing; Li, Xianting

2015-01-01

Highlights: • The hybrid GCHP system with multi-functions is proposed. • The system maintains the soil temperature and heating reliability steady. • The multi-functional operation of HCUT can save more energy of the system. - Abstract: Underground thermal imbalance is a significant problem for ground-coupled heat pump (GCHP) systems that serve predominately heated buildings in cold regions, which extract more heat from the ground and inject less heat, especially in buildings requiring domestic hot water (DHW). To solve this problem, a previously developed heat compensation unit with thermosyphon (HCUT) is integrated with a GCHP unit to build a hybrid GCHP system. To improve the energy savings of this hybrid GCHP system, the HCUT unit is set to have multiple functions (heat compensation, direct DHW and direct space heating) in this paper. To analyze the improved system performance, a hotel requiring air-conditioning and DHW is selected and simulated in three typical cold cities using the dynamic software DeST and TRNSYS. The results indicate that the hybrid GCHP system can maintain the underground thermal balance while keeping the indoor air temperature within the design range. Furthermore, the HCUT unit efficiently reduces the energy consumption via its multi-functional operations. Compared to the previous system that only used HCUT for heat compensation, adding the direct DHW function further saves 7.5–11.0% energy in heat compensation (HC) and DHW (i.e., 3.6–4.8% of the whole system). Simultaneously adding the direct DHW and space heating functions to the HCUT can save 9.8–12.9% energy in HC and DHW (i.e., 5.1–6.0% of the whole system). The hybrid GCHP system with a multi-functional HCUT provides more energy savings while maintaining the underground thermal balance in cold regions that demand both air-conditioning and DHW

Solution of the generalized Emden-Fowler equations by the hybrid functions method

International Nuclear Information System (INIS)

Tabrizidooz, H R; Marzban, H R; Razzaghi, M

2009-01-01

In this paper, we present a numerical algorithm for solving the generalized Emden-Fowler equations, which have many applications in mathematical physics and astrophysics. The method is based on hybrid functions approximations. The properties of hybrid functions, which consist of block-pulse functions and Lagrange interpolating polynomials, are presented. These properties are then utilized to reduce the computation of the generalized Emden-Fowler equations to a system of nonlinear equations. The method is easy to implement and yields very accurate results.

Objective-function Hybridization in Adjoint Seismic Tomography

Science.gov (United States)

Yuan, Y. O.; Bozdag, E.; Simons, F.; Gao, F.

2016-12-01

In the realm of seismic tomography, we are at the threshold of a new era of huge seismic datasets. However, how to assimilate as much information as possible from every seismogram is still a challenge. Cross-correlation measurements are generally tailored to some window selection algorithms, such as FLEXWIN (Maggie et al. 2008), to balance amplitude differences between seismic phases. However, these measurements naturally favor maximum picks in selected windows. It is also difficult to select all usable portions of seismograms in an optimum way that lots of information is generally lost, particularly the scattered waves. Instantaneous phase type of misfits extract information from every wiggle without cutting seismograms into small pieces, however, dealing with cycle skips at short periods can be challenging. For this purpose, we introduce a flexible hybrid approach for adjoint seismic tomography, to combine various objective functions. We initially focus on phase measurements and propose using instantaneous phase to take into account relatively small-magnitude scattered waves at long periods while using cross-correlation measurements on FLEXWIN windows to select distinct body-wave arrivals without complicating measurements due to non-linearities at short periods. To better deal with cycle skips and reliably measure instantaneous phases we design a new misfit function that incorporates instantaneous phase information implicitly instead of measuring it explicitly, through using normalized analytic signals. We present in our synthetic experiments how instantaneous phase, cross-correlation and their hybridization affect tomographic results. The combination of two different phase measurements in a hybrid approach constitutes progress towards using "anything and everything" in a data set, addressing data quality and measurement challenges simultaneously. We further extend hybridisation of misfit functions for amplitude measurements such as cross-correlation amplitude

Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections.

Science.gov (United States)

Arbuznikov, Alexei V; Kaupp, Martin

2012-01-07

Local hybrid functionals with their position-dependent exact-exchange admixture are a conceptually simple and promising extension of the concept of a hybrid functional. Local hybrids based on a simple mixing of the local spin density approximation (LSDA) with exact exchange have been shown to be successful for thermochemistry, reaction barriers, and a range of other properties. So far, the combination of this generation of local hybrids with an LSDA correlation functional has been found to give the most favorable results for atomization energies, for a range of local mixing functions (LMFs) governing the exact-exchange admixture. Here, we show that the choice of correlation functional to be used with local hybrid exchange crucially influences the parameterization also of the exchange part as well as the overall performance. A novel ansatz for the correlation part of local hybrids is suggested based on (i) range-separation of LSDA correlation into short-range (SR) and long-range (LR) parts, and (ii) partial or full elimination of the one-electron self-correlation from the SR part. It is shown that such modified correlation functionals allow overall larger exact exchange admixture in thermochemically competitive local hybrids than before. This results in improvements for reaction barriers and for other properties crucially influenced by self-interaction errors, as demonstrated by a number of examples. Based on the range-separation approach, a fresh view on the breakdown of the correlation energy into dynamical and non-dynamical parts is suggested.

Finansal Risklerin Yönetilmesinde Türev Ürünlerin Kullanımı: Borsa İstanbul (Bist 100 Endeksi’ndeki Şirketler Üzerine Bir Araştırma (Usage Derivatives In Management Financial Risks: A Study On Firms In Borsa Istanbul (Bist 100 Stock Index

Directory of Open Access Journals (Sweden)

Erdal YILMAZ

2016-03-01

Full Text Available Firms that experience risks as a result of their activities, use various tools to manage these risks and be protected against them. One of the most significant tools used for protection against financial risks is derivatives. Derivatives used by firms to eliminate the financial risks caused by uncertainty, future price changes and other factors, contribute to diminish fluctuations on future prices and market mechanism to operate in a reliable environment. In this study, after informing about primary derivative products, research is focused on the level of usage of derivatives against risks caused by financial tools by firms registered on BIST 100 stock index operating in other than financial sector and which derivative products are being used by mentioned firms. In the result, it is founded that in 2013, 36 % of the firms and in 2014, 45 % of the firms in the context of the study use derivative products against financial risks. It is also founded that firms use swap contracts against interest risks, and futures contracts are preferred by firms against exchange risk. In addition to this, option contracts are mostly used against other price risks.

Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.

Science.gov (United States)

Chai, Jeng-Da

2017-01-28

We propose hybrid schemes incorporating exact exchange into thermally assisted-occupation-density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] for an improved description of nonlocal exchange effects. With a few simple modifications, global and range-separated hybrid functionals in Kohn-Sham density functional theory (KS-DFT) can be combined seamlessly with TAO-DFT. In comparison with global hybrid functionals in KS-DFT, the resulting global hybrid functionals in TAO-DFT yield promising performance for systems with strong static correlation effects (e.g., the dissociation of H 2 and N 2 , twisted ethylene, and electronic properties of linear acenes), while maintaining similar performance for systems without strong static correlation effects. Besides, a reasonably accurate description of noncovalent interactions can be efficiently achieved through the inclusion of dispersion corrections in hybrid TAO-DFT. Relative to semilocal density functionals in TAO-DFT, global hybrid functionals in TAO-DFT are generally superior in performance for a wide range of applications, such as thermochemistry, kinetics, reaction energies, and optimized geometries.

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

Science.gov (United States)

Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

2018-01-01

The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

Functionalized graphene oxide/Fe3O4 hybrids for cellular magnetic resonance imaging and fluorescence labeling.

Science.gov (United States)

Zhou, Chaohui; Wu, Hui; Wang, Mingliang; Huang, Chusen; Yang, Dapeng; Jia, Nengqin

2017-09-01

In this work, we developed a T 2 -weighted contrast agent based on graphene oxide (GO)/Fe 3 O 4 hybrids for efficient cellular magnetic resonance imaging (MRI). The GO/Fe 3 O 4 hybrids were obtained by combining with co-precipitation method and pyrolysis method. The structural, surface and magnetic characteristics of the hybrids were systematically characterized by transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), AFM, Raman, FT-IR and XRD. The GO/Fe 3 O 4 hybrids were functionalized by modifying with anionic and cationic polyelectrolyte through layer-by-layer assembling. The fluorescence probe fluorescein isothiocyanate (FITC) was further loaded on the surface of functionalized GO/Fe 3 O 4 hybrids to trace the location of GO/Fe 3 O 4 hybrids in cells. Functionalized GO/Fe 3 O 4 hybrids possess good hydrophilicity, less cytotoxicity, high MRI enhancement with the relaxivity (r 2 ) of 493mM -1 s -1 as well as cellular MRI contrast effect. These obtained results indicated that the functionalized GO/Fe 3 O 4 hybrids could have great potential to be utilized as cellular MRI contrast agents for tumor early diagnosis and monitoring. Copyright © 2017 Elsevier B.V. All rights reserved.

Density Functional Theory applied to magnetic materials: Mn{sub 3}O{sub 4} at different hybrid functionals

Energy Technology Data Exchange (ETDEWEB)

Ribeiro, R.A.P. [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Lazaro, S.R. de, E-mail: srlazaro@upeg.br [Department of Chemistry, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil); Pianaro, S.A. [Department of Materials Engineering, State University of Ponta Grossa, Av. General Carlos Cavalcanti, 4748, 84030-900 Ponta Grossa, PR (Brazil)

2015-10-01

Antiferromagnetic Mn{sub 3}O{sub 4} in spinel structure was investigated employing the Density Functional Theory at different hybrid functionals with default HF exchange percentage. Structural, electronic and magnetic properties were examined. Structural results were in agreement with experimental and Hartree–Fock results showing that the octahedral site was distorted by the Jahn–Teller effect, which changed the electron density distribution. Band-gap results for B3LYP and B3PW hybrid functionals were closer to the experimental when compared to PBE0. Mulliken Population Analysis revealed magnetic moments very close to ideal d{sup 4} and d{sup 5} electron configurations of Mn{sup 3+} and Mn{sup 2+}, respectively. Electron density maps are useful to determine that oxygen atoms mediate the electron transfer between octahedral and tetrahedral clusters. Magnetic properties were investigated from theoretical results for exchange coupling constants. Intratetrahedral and tetra-octahedral interactions were observed to be antiferromagnetic, whereas, octahedral sites presented antiferromagnetic interactions in the same layer and ferromagnetic in adjacent layers. Results showed that only default B3LYP was successful to describe magnetic properties of antiferromagnetic materials in agreement with experimental results. - Highlights: • We study structural, electronic and magnetic properties of antiferromagnetic Mn{sub 3}O{sub 4}. • B3LYP, B3PW and PBE0 hybrid functionals are compared. • B3LYP and B3PW hybrid functionals are better to band-gap calculations. • Only default B3LYP was successful to describe exchange interactions for Mn{sub 3}O{sub 4}.

Analysis of Patients with Myelopathy due to Benign Intradural Spinal Tumors with Concomitant Lumbar Degenerative Diseases Misdiagnosed and Erroneously Treated with Lumbar Surgery.

Science.gov (United States)

Lu, Kang; Wang, Hao-Kuang; Liliang, Po-Chou; Yang, Chih-Hui; Yen, Cheng-Yo; Tsai, Yu-Duan; Chen, Po-Yuan; Chye, Cien-Leong; Wang, Kuo-Wei; Liang, Cheng-Loong; Chen, Han-Jung

2017-09-01

When a cervical or thoracic benign intradural spinal tumor (BIST) coexists with lumbar degenerative diseases (LDD), diagnosis can be difficult. Symptoms of BIST-myelopathy can be mistaken as being related to LDD. Worse, an unnecessary lumbar surgery could be performed. This study was conducted to analyze cases in which an erroneous lumbar surgery was undertaken in the wake of failure to identify BIST-associated myelopathy. Cases were found in a hospital database. Patients who underwent surgery for LDD first and then another surgery for BIST removal within a short interval were studied. Issues investigated included why the BISTs were missed, how they were found later, and how the patients reacted to the unnecessary lumbar procedures. Over 10 years, 167 patients received both surgeries for LDD and a cervical or thoracic BIST. In 7 patients, lumbar surgery preceded tumor removal by a short interval. Mistakes shared by the physicians included failure to detect myelopathy and a BIST, and a hasty decision for lumbar surgery, which soon turned out to be futile. Although the BISTs were subsequently found and removed, 5 patients believed that the lumbar surgery was unnecessary, with 4 patients expressing regrets and 1 patient threatening to take legal action against the initial surgeon. Concomitant symptomatic LDD and BIST-associated myelopathy pose a diagnostic challenge. Spine specialists should refrain from reflexively linking leg symptoms and impaired ability to walk to LDD. Comprehensive patient evaluation is fundamental to avoid misdiagnosis and wrong lumbar surgery. Copyright © 2017 Elsevier Inc. All rights reserved.

Skin-inspired hydrogel-elastomer hybrids with robust interfaces and functional microstructures

Science.gov (United States)

Yuk, Hyunwoo; Zhang, Teng; Parada, German Alberto; Liu, Xinyue; Zhao, Xuanhe

2016-06-01

Inspired by mammalian skins, soft hybrids integrating the merits of elastomers and hydrogels have potential applications in diverse areas including stretchable and bio-integrated electronics, microfluidics, tissue engineering, soft robotics and biomedical devices. However, existing hydrogel-elastomer hybrids have limitations such as weak interfacial bonding, low robustness and difficulties in patterning microstructures. Here, we report a simple yet versatile method to assemble hydrogels and elastomers into hybrids with extremely robust interfaces (interfacial toughness over 1,000 Jm-2) and functional microstructures such as microfluidic channels and electrical circuits. The proposed method is generally applicable to various types of tough hydrogels and diverse commonly used elastomers including polydimethylsiloxane Sylgard 184, polyurethane, latex, VHB and Ecoflex. We further demonstrate applications enabled by the robust and microstructured hydrogel-elastomer hybrids including anti-dehydration hydrogel-elastomer hybrids, stretchable and reactive hydrogel-elastomer microfluidics, and stretchable hydrogel circuit boards patterned on elastomer.

Self-consistent hybrid functionals for solids: a fully-automated implementation

Science.gov (United States)

Erba, A.

2017-08-01

A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

A novel hybrid stress-function finite element method immune to severe mesh distortion

International Nuclear Information System (INIS)

Cen Song; Zhou Mingjue; Fu Xiangrong

2010-01-01

This paper introduces a hybrid stress-function finite element method proposed recently for developing 2D finite element models immune to element shapes. Deferent from the first version of the hybrid-stress element constructed by Pian, the stress function φ of 2D elastic or fracture problem is regarded as the functional variable of the complementary energy functional. Then, the basic analytical solutions of φ are taken as the trial functions for finite element models, and meanwhile, the corresponding unknown stress-function constants are introduced. By using the principle of minimum complementary energy, these unknown stress-function constants can be expressed in terms of the displacements along element edges. Finally, the complementary energy functional can be rewritten in terms of element nodal displacement vector, and thus, the element stiffness matrix of such hybrid-function element can be obtained. As examples, two (8- and 12-node) quadrilateral plane elements and an arbitrary polygonal crack element are constructed by employing different basic analytical solutions of different stress functions. Numerical results show that, the 8- and 12-node plane models can produce the exact solutions for pure bending and linear bending problems, respectively, even the element shape degenerates into triangle and concave quadrangle; and the crack element can also predict accurate results with very low computational cost in analysis of stress-singularity problems.

The normal function of a speciation gene, Odysseus, and its hybrid sterility effect.

Science.gov (United States)

Sun, Sha; Ting, Chau-Ti; Wu, Chung-I

2004-07-02

To understand how postmating isolation is connected to the normal process of species divergence and why hybrid male sterility is often the first sign of speciation, we analyzed the Odysseus (OdsH) gene of hybrid male sterility in Drosophila. We carried out expression analysis, transgenic study, and gene knockout. The combined evidence suggests that the sterility phenotype represents a novel manifestation of the gene function rather than the reduction or loss of the normal one. The gene knockout experiment identified the normal function of OdsH as a modest enhancement of sperm production in young males. The implication of a weak effect of OdsH on the normal phenotype but a strong influence on hybrid male sterility is discussed in light of Haldane's rule of postmating isolation.

The LFSR and BCA VHDL Models for Built-in Self-test Circuits

Directory of Open Access Journals (Sweden)

J. Mitrych

2002-04-01

Full Text Available The various test structures are proposed for BIST techniques [1],[2]. A typical structure used for generation of pseudo-random test setsis the linear feedback shift register (LFSR. The BIST techniques havewide application in testing whole devices and embedded components. Wefocus on the analysis of the state coverage, fault coverage, andoptimal structure of BIST schemes.

Graphene-based hybrid structures combined with functional materials of ferroelectrics and semiconductors.

Science.gov (United States)

Jie, Wenjing; Hao, Jianhua

2014-06-21

Fundamental studies and applications of 2-dimensional (2D) graphene may be deepened and broadened via combining graphene sheets with various functional materials, which have been extended from the traditional insulator of SiO2 to a versatile range of dielectrics, semiconductors and metals, as well as organic compounds. Among them, ferroelectric materials have received much attention due to their unique ferroelectric polarization. As a result, many attractive characteristics can be shown in graphene/ferroelectric hybrid systems. On the other hand, graphene can be integrated with conventional semiconductors and some newly-discovered 2D layered materials to form distinct Schottky junctions, yielding fascinating behaviours and exhibiting the potential for various applications in future functional devices. This review article is an attempt to illustrate the most recent progress in the fabrication, operation principle, characterization, and promising applications of graphene-based hybrid structures combined with various functional materials, ranging from ferroelectrics to semiconductors. We focus on mechanically exfoliated and chemical-vapor-deposited graphene sheets integrated in numerous advanced devices. Some typical hybrid structures have been highlighted, aiming at potential applications in non-volatile memories, transparent flexible electrodes, solar cells, photodetectors, and so on.

Hybrid cooling tower Neckarwestheim 2 cooling function, emission, plume dispersion

International Nuclear Information System (INIS)

Braeuning, G.; Ernst, G.; Maeule, R.; Necker, P.

1990-01-01

The fan-assisted hybrid cooling tower of the 1300 MW power plant Gemeinschafts-Kernkraftwerk Neckarwestheim 2 was designed and constructed based on results from theoretical and experimental studies and experiences from a smaller prototype. The wet part acts in counterflow. The dry part is arranged above the wet part. Each part contains 44 fans. Special attention was payed to the ducts which mix the dry into the wet plume. The cooling function and state, mass flow and contents of the emission were measured. The dispersion of the plume in the atmosphere was observed. The central results are presented in this paper. The cooling function corresponds to the predictions. The content of drifted cooling water in the plume is extremely low. The high velocity of the plume in the exit causes an undisturbed flow into the atmosphere. The hybrid operation reduces visible plumes strongly, especially in warmer and drier ambient air

Analytic derivatives for perturbatively corrected ''double hybrid'' density functionals: Theory, implementation, and applications

International Nuclear Information System (INIS)

Neese, Frank; Schwabe, Tobias; Grimme, Stefan

2007-01-01

A recently proposed new family of density functionals [S. Grimme, J. Chem. Phys. 124, 34108 (2006)] adds a fraction of nonlocal correlation as a new ingredient to density functional theory (DFT). This fractional correlation energy is calculated at the level of second-order many-body perturbation theory (PT2) and replaces some of the semilocal DFT correlation of standard hybrid DFT methods. The new ''double hybrid'' functionals (termed, e.g., B2-PLYP) contain only two empirical parameters that have been adjusted in thermochemical calculations on parts of the G2/3 benchmark set. The methods have provided the lowest errors ever obtained by any DFT method for the full G3 set of molecules. In this work, the applicability of the new functionals is extended to the exploration of potential energy surfaces with analytic gradients. The theory of the analytic gradient largely follows the standard theory of PT2 gradients with some additional subtleties due to the presence of the exchange-correlation terms in the self-consistent field operator. An implementation is reported for closed-shell as well as spin-unrestricted reference determinants. Furthermore, the implementation includes external point charge fields and also accommodates continuum solvation models at the level of the conductor like screening model. The density fitting resolution of the identity (RI) approximation can be applied to the evaluation of the PT2 part with large gains in computational efficiency. For systems with ∼500-600 basis functions the evaluation of the double hybrid gradient is approximately four times more expensive than the calculation of the standard hybrid DFT gradient. Extensive test calculations are provided for main group elements and transition metal containing species. The results reveal that the B2-PLYP functional provides excellent molecular geometries that are superior compared to those from standard DFT and MP2

Establishment of hybridized focus measure functions as a universal method for autofocusing

Science.gov (United States)

Shah, Mohammad Imran; Mishra, Smriti; Rout, Chittaranjan

2017-12-01

Exact focusing is essential for any automatic image capturing system. Performances of focus measure functions (FMFs) used for autofocusing are sensitive to image contents and imaging systems. Therefore, identification of universal FMF assumes a lot of significance. Eight FMFs were hybridized in pairs of two and implemented simultaneously on a single stack to calculate the hybrid focus measure. In total, 28 hybrid FMFs (HFMFs) and eight FMFs were implemented on stacks of images from three different imaging modalities. Performance of FMFs was found to the best at 50% region sampling. Accuracy, focus error, and false maxima were calculated to evaluate the performance of each FMF. Nineteen HFMFs provided >90% accuracy. Image distortion (noise, contrast, saturation, illumination, etc.) was performed to evaluate robustness of HFMFs. Hybrid of tenengrad variance and steerable filter-based (VGRnSFB) FMFs was identified as the most robust and accurate function with an accuracy of ≥90% and a relatively lower focus error and false maxima rate. Sharpness of focus curve of VGRnSFB along with eight individual FMFs was also computed to determine the efficacy of HFMF for the optimization process. VGRnSFB HFMF may be implemented for automated capturing of an image for any imaging system.

Mechanical Behavior of Nanostructured Hybrids Based on Poly(Vinyl Alcohol/Bioactive Glass Reinforced with Functionalized Carbon Nanotubes

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H. S. Mansur

2012-01-01

Full Text Available This study reports the synthesis and characterization of novel tridimensional porous hybrids based on PVA combined with bioactive glass and reinforced by chemically functionalized carbon nanotubes (CNT for potential use in bone tissue engineering. The functionalization of CNT was performed by introducing carboxylic groups in multiwall nanotubes. This process aimed at enhancing the affinity of CNTs with the water-soluble PVA polymer derived by the hydrogen bonds formed among alcohol (PVA and carboxylic groups (CNT–COOH. In the sequence, the CNT–COOH (0.25 wt% were used as the nanostructure modifier for the hybrid system based on PVA associated with the bioactive glass (BaG. The mechanical properties of the nanostructured hybrids reinforced with CNT–COOH were evaluated by axial compression tests, and they were compared to reference hybrid. The averaged yield stresses of macroporous hybrids were (2.3 ± 0.9 and (4.4 ± 1.0 MPa for the reference and the CNT reinforced materials, respectively. Moreover, yield strain and Young's modulus were significantly enhanced by about 30% for the CNT–COOH hybrids. Hence, as far as the mechanical properties are concerned, the results have clearly showed the feasibility of utilizing these new hybrids reinforced with functionalized CNT in repairing cancellous bone tissues.

Soft Sensing of Key State Variables in Fermentation Process Based on Relevance Vector Machine with Hybrid Kernel Function

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Xianglin ZHU

2014-06-01

Full Text Available To resolve the online detection difficulty of some important state variables in fermentation process with traditional instruments, a soft sensing modeling method based on relevance vector machine (RVM with a hybrid kernel function is presented. Based on the characteristic analysis of two commonly-used kernel functions, that is, local Gaussian kernel function and global polynomial kernel function, a hybrid kernel function combing merits of Gaussian kernel function and polynomial kernel function is constructed. To design optimal parameters of this kernel function, the particle swarm optimization (PSO algorithm is applied. The proposed modeling method is used to predict the value of cell concentration in the Lysine fermentation process. Simulation results show that the presented hybrid-kernel RVM model has a better accuracy and performance than the single kernel RVM model.

Towards an ankle neuroprosthesis for hybrid robotics: Concepts and current sources for functional electrical stimulation.

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Casco, S; Fuster, I; Galeano, R; Moreno, J C; Pons, J L; Brunetti, F

2017-07-01

Hybrid rehabilitation robotics combine neuro-prosthetic devices (close-loop functional electrical stimulation systems) and traditional robotic structures and actuators to explore better therapies and promote a more efficient motor function recovery or compensation. Although hybrid robotics and ankle neuroprostheses (NPs) have been widely developed over the last years, there are just few studies on the use of NPs to electrically control both ankle flexion and extension to promote ankle recovery and improved gait patterns in paretic limbs. The aim of this work is to develop an ankle NP specifically designed to work in the field of hybrid robotics. This article presents early steps towards this goal and makes a brief review about motor NPs and Functional Electrical Stimulation (FES) principles and most common devices used to aid the ankle functioning during the gait cycle. It also shows a current sources analysis done in this framework, in order to choose the best one for this intended application.

The effect of additional equilibrium stress functions on the three-node hybrid-mixed curved beam element

International Nuclear Information System (INIS)

Kim, Jin Gon; Park, Yong Kuk

2008-01-01

To develop an effective hybrid-mixed element, it is extremely critical as to how to assume the stress field. This research article demonstrates the effect of additional equilibrium stress functions to enhance the numerical performance of the locking-free three-node hybrid-mixed curved beam element, proposed in Saleeb and Chang's previous work. It is exceedingly complicated or even infeasible to determine the stress functions to satisfy fully both the equilibrium conditions and suppression of kinematic deformation modes in the three-node hybrid-mixed formulation. Accordingly, the additional stress functions to satisfy partially or fully equilibrium conditions are incorporated in this study. Several numerical examples for static and dynamic problems confirm that the newly proposed element with these additional stress functions is highly effective regardless of the slenderness ratio and curvature of arches in static and dynamic analyses

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

International Nuclear Information System (INIS)

Stroppa, A; Kresse, G

2008-01-01

A study of the adsorption of CO on late 4d and 5d transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient-corrected Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) functionals, and the corresponding hybrid Hartree-Fock density functionals HSE and B3LYP. We find that PBE-based hybrid functionals (specifically HSE) yield, with the exception of Pt, the correct site order on all considered metals, but they also considerably overestimate the adsorption energies compared to experiment. On the other hand, the semi-local BLYP functional and the corresponding hybrid functional B3LYP yield very satisfactory adsorption energies and the correct adsorption site for all surfaces. We are thus faced with a Procrustean problem: the B3LYP and BLYP functionals seem to be the overall best choice for describing adsorption on metal surfaces, but they simultaneously fail to account well for the properties of the metal, vastly overestimating the equilibrium volume and underestimating the atomization energies. Setting out from these observations, general conclusions are drawn on the relative merits and drawbacks of various semi-local and hybrid functionals. The discussion includes a revised version of the PBE functional specifically optimized for bulk properties and surface energies (PBEsol), a revised version of the PBE functional specifically optimized to predict accurate adsorption energies (rPBE), as well as the aforementioned BLYP functional. We conclude that no semi-local functional is capable of describing all aspects properly, and including non-local exchange also only improves some but worsens other properties

Multi-functional quantum router using hybrid opto-electromechanics

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Ma, Peng-Cheng; Yan, Lei-Lei; Chen, Gui-Bin; Li, Xiao-Wei; Liu, Shu-Jing; Zhan, You-Bang

2018-03-01

Quantum routers engineered with multiple frequency bands play a key role in quantum networks. We propose an experimentally accessible scheme for a multi-functional quantum router, using photon-phonon conversion in a hybrid opto-electromechanical system. Our proposed device functions as a bidirectional, tunable multi-channel quantum router, and demonstrates the possibility to route single optical photons bidirectionally and simultaneously to three different output ports, by adjusting the microwave power. Further, the device also behaves as an interswitching unit for microwave and optical photons, yielding probabilistic routing of microwave (optical) signals to optical (microwave) outports. With respect to potential application, we verify the insignificant influence from vacuum and thermal noises in the performance of the router under cryogenic conditions.

Functional Abstraction of Stochastic Hybrid Systems

NARCIS (Netherlands)

Bujorianu, L.M.; Blom, Henk A.P.; Hermanns, H.

2006-01-01

The verification problem for stochastic hybrid systems is quite difficult. One method to verify these systems is stochastic reachability analysis. Concepts of abstractions for stochastic hybrid systems are needed to ease the stochastic reachability analysis. In this paper, we set up different ways

A-centers in silicon studied with hybrid density functional theory

KAUST Repository

Wang, Hao; Chroneos, Alexander; Londos, C. A.; Schwingenschlö gl, Udo; Sgourou, E. N.

2013-01-01

Density functional theory employing hybrid functional is used to gain fundamental insight into the interaction of vacancies with oxygen interstitials to form defects known as A-centers in silicon. We calculate the formation energy of the defect with respect to the Fermi energy for all possible charge states. It is found that the neutral and doubly negatively charged A-centers dominate. The findings are analyzed in terms of the density of states and discussed in view of previous experimental and theoretical studies.

A-centers in silicon studied with hybrid density functional theory

KAUST Repository

Wang, Hao

2013-07-29

Density functional theory employing hybrid functional is used to gain fundamental insight into the interaction of vacancies with oxygen interstitials to form defects known as A-centers in silicon. We calculate the formation energy of the defect with respect to the Fermi energy for all possible charge states. It is found that the neutral and doubly negatively charged A-centers dominate. The findings are analyzed in terms of the density of states and discussed in view of previous experimental and theoretical studies.

A Dynamic Multistage Hybrid Swarm Intelligence Optimization Algorithm for Function Optimization

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Daqing Wu

2012-01-01

Full Text Available A novel dynamic multistage hybrid swarm intelligence optimization algorithm is introduced, which is abbreviated as DM-PSO-ABC. The DM-PSO-ABC combined the exploration capabilities of the dynamic multiswarm particle swarm optimizer (PSO and the stochastic exploitation of the cooperative artificial bee colony algorithm (CABC for solving the function optimization. In the proposed hybrid algorithm, the whole process is divided into three stages. In the first stage, a dynamic multiswarm PSO is constructed to maintain the population diversity. In the second stage, the parallel, positive feedback of CABC was implemented in each small swarm. In the third stage, we make use of the particle swarm optimization global model, which has a faster convergence speed to enhance the global convergence in solving the whole problem. To verify the effectiveness and efficiency of the proposed hybrid algorithm, various scale benchmark problems are tested to demonstrate the potential of the proposed multistage hybrid swarm intelligence optimization algorithm. The results show that DM-PSO-ABC is better in the search precision, and convergence property and has strong ability to escape from the local suboptima when compared with several other peer algorithms.

Relativistic Adiabatic Time-Dependent Density Functional Theory Using Hybrid Functionals and Noncollinear Spin Magnetization

DEFF Research Database (Denmark)

Bast, Radovan; Jensen, Hans Jørgen Aagaard; Saue, Trond

2009-01-01

into reduction of algebra from quaternion to complex or real. For hybrid GGAs with noncollinear spin magnetization we derive a new computationally advantageous equation for the full second variational derivatives of such exchange-correlation functionals. We apply our implementation to calculations on the ns2...... → ns1np1 excitation energies in the Zn, Cd, and Hg atoms (n = 4-6) and (vertical) excitation energies of UO2+ 2 ; and we test the performance of various functionals by comparison with experimental data (group 12 atoms) or higher-level computational results (UO2+2 ). The results indicate...

Tester-assisted built in test

Science.gov (United States)

Guntheroth, Kurt

It is noted that board makers invest considerable time and money writing extensive self-tests and that this investment can be multiplied by selecting ATE (automatic test equipment) that complements and extends the power of the self-test. The tester can diagnose boards in situations where a fault prevents the self-test from running. If the tester monitors such resources as processor, memory, and I/O, confidence in test results is improved. The tester can be used during development of the self-test and to turn on prototypes before the self-test is complete. The author argues that emulative functional testers outperform other types of ATE on boards with BIST (built-in self-test) and lists features of emulative functional testers that are most important to users of BIST.

Enzymatic functionalization of cork surface with antimicrobial hybrid biopolymer/silver nanoparticles.

Science.gov (United States)

Francesko, Antonio; Blandón, Lucas; Vázquez, Mario; Petkova, Petya; Morató, Jordi; Pfeifer, Annett; Heinze, Thomas; Mendoza, Ernest; Tzanov, Tzanko

2015-05-13

Laccase-assisted assembling of hybrid biopolymer-silver nanoparticles and cork matrices into an antimicrobial material with potential for water remediation is herein described. Amino-functional biopolymers were first used as doping agents to stabilize concentrated colloidal dispersions of silver nanoparticles (AgNP), additionally providing the particles with functionalities for covalent immobilization onto cork to impart a durable antibacterial effect. The solvent-free AgNP synthesis by chemical reduction was carried out in the presence of chitosan (CS) or 6-deoxy-6-(ω-aminoethyl) aminocellulose (AC), leading to simultaneous AgNP biofunctionalization. This approach resulted in concentrated hybrid NP dispersion stable to aggregation and with hydrodynamic radius of particles of about 250 nm. Moreover, laccase enabled coupling between the phenolic groups in cork and amino moieties in the biopolymer-doped AgNP for permanent modification of the material. The antibacterial efficiency of the functionalized cork matrices, aimed as adsorbents for wastewater treatment, was evaluated against Escherichia coli and Staphylococcus aureus during 5 days in conditions mimicking those in constructed wetlands. Both intrinsically antimicrobial CS and AC contributed to the bactericidal effect of the enzymatically grafted on cork AgNP. In contrast, unmodified AgNP were easily washed off from the material, confirming that the biopolymers potentiated a durable antibacterial functionalization of the cork matrices.

Hybrid artificial bee colony algorithm for parameter optimization of five-parameter bidirectional reflectance distribution function model.

Science.gov (United States)

Wang, Qianqian; Zhao, Jing; Gong, Yong; Hao, Qun; Peng, Zhong

2017-11-20

A hybrid artificial bee colony (ABC) algorithm inspired by the best-so-far solution and bacterial chemotaxis was introduced to optimize the parameters of the five-parameter bidirectional reflectance distribution function (BRDF) model. To verify the performance of the hybrid ABC algorithm, we measured BRDF of three kinds of samples and simulated the undetermined parameters of the five-parameter BRDF model using the hybrid ABC algorithm and the genetic algorithm, respectively. The experimental results demonstrate that the hybrid ABC algorithm outperforms the genetic algorithm in convergence speed, accuracy, and time efficiency under the same conditions.

Thermochemical Storage of Middle Temperature Wasted Heat by Functionalized C/Mg(OH2 Hybrid Materials

Directory of Open Access Journals (Sweden)

Emanuela Mastronardo

2017-01-01

Full Text Available For the thermochemical performance implementation of Mg(OH2 as a heat storage medium, several hybrid materials have been investigated. For this study, high-performance hybrid materials have been developed by exploiting the authors’ previous findings. Expanded graphite (EG/carbon nanotubes (CNTs-Mg(OH2 hybrid materials have been prepared through Mg(OH2 deposition-precipitation over functionalized, i.e., oxidized, or un-functionalized EG or CNTs. The heat storage performances of the carbon-based hybrid materials have been investigated through a laboratory-scale experimental simulation of the heat storage/release cycles, carried out by a thermogravimetric apparatus. This study offers a critical evaluation of the thermochemical performances of developed materials through their comparison in terms of heat storage and output capacities per mass and volume unit. It was demonstrated that both EG and CNTs improves the thermochemical performances of the storage medium in terms of reaction rate and conversion with respect to pure Mg(OH2. With functionalized EG/CNTs-Mg(OH2, (i the potential heat storage and output capacities per mass unit of Mg(OH2 have been completely exploited; and (ii higher heat storage and output capacities per volume unit were obtained. That means, for technological applications, as smaller volume at equal stored/released heat.

Hybrid inorganic-organic adsorbents Part 1: Synthesis and characterization of mesoporous zirconium titanate frameworks containing coordinating organic functionalities.

Science.gov (United States)

Griffith, Christopher S; De Los Reyes, Massey; Scales, Nicholas; Hanna, John V; Luca, Vittorio

2010-12-01

A series of functional hybrid inorganic-organic adsorbent materials have been prepared through postsynthetic grafting of mesoporous zirconium titanate xerogel powders using a range of synthesized and commercial mono-, bis-, and tris-phosphonic acids, many of which have never before been investigated for the preparation of hybrid phases. The hybrid materials have been characterized using thermogravimetric analysis, diffuse reflectance infrared (DRIFT) and 31P MAS NMR spectroscopic techniques and their adsorption properties studied using a 153Gd radiotracer. The highest level of surface functionalization (molecules/nm2) was observed for methylphosphonic acid (∼3 molecules/nm2). The level of functionalization decreased with an increase in the number of potential surface coordinating groups of the phosphonic acids. Spectral decomposition of the DRIFT and 31P MAS NMR spectra showed that each of the phosphonic acid molecules coordinated strongly to the metal oxide surface but that for the 1,1-bis-phosphonic acids and tris-phosphonic acids the coordination was highly variable resulting in a proportion of free or loosely coordinated phosphonic acid groups. Functionalization of a porous mixed metal oxide framework with the tris-methylenephosphonic acid (ATMP-ZrTi-0.33) resulted in a hybrid with the highest affinity for 153Gd3+ in nitric acid solutions across a wide range of acid concentrations. The ATMP-ZrTi-0.33 hybrid material extracted 153Gd3+ with a Kd value of 1×10(4) in 0.01 M HNO3 far exceeding that of the other hybrid phases. The unfunctionalized mesoporous mixed metal oxide had negligible affinity for Gd3+ (KdATMP-ZrTi-0.33 hybrid phase for Gd3+ has been determined to be about 0.005 mmol/g in 0.01 M HNO3. This behavior and that of the other hybrid phases suggests that the surface-bound ATMP ligand functions as a chelating ligand toward 153Gd3+ under these acidic conditions.

Does it take two to tango: Interaction between Credit Default Swaps and National Stock Indices

Directory of Open Access Journals (Sweden)

YHLAS SOVBETOV

2018-01-01

Full Text Available This paper investigates both short and long-run interaction between BIST-100 index and CDS prices over January 2008 to May 2015 using ARDL technique. The paper documents several findings. First, ARDL analysis shows that 1 TL increase in CDS shrinks BIST-100 index by 22.5 TL in short-run and 85.5 TL in long-run. Second, 1000 TL increase in BIST index price causes 25 TL and 44 TL reducation in Turkey's CDS prices in short- and long-run respectively. Third, a percentage increase in interest rate shrinks BIST index by 359 TL and a percentage increase in inflation rate scales CDS prices up to 13.34 TL both in long-run. In case of short-run, these impacts are limited with 231 TL and 5.73 TL respectively. Fourth, a kurush increase in TL/USD exchange rate leads 24.5 TL (short-run and 78 TL (long-run reductions in BIST, while it augments CDS prices by 2.5 TL (short-run and 3 TL (long-run respectively. Fifth, each negative political events decreases BIST by 237 TL in short-run and 538 TL in long-run, while it increases CDS prices by 33 TL in short-run and 89 TL in long-run. These findings imply the highly dollar indebted capital structure of Turkish firms, and overly sensitivity of financial markets to the uncertainties in political sphere. Finally, the paper provides evidence for that BIST and CDS with control variables drift too far apart, and converge to a long-run equilibrium at a moderate monthly speed.

Hybrid functional band gap calculation of SnO6 containing perovskites and their derived structures

International Nuclear Information System (INIS)

Lee, Hyewon; Cheong, S.W.; Kim, Bog G.

2015-01-01

We have studied the properties of SnO 6 octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO 6 containing perovskites. We also have expended the hybrid density functional calculation to the ASnO 3 /A'SnO 3 system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO 6 containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO 3 for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO 6 octahedrons are plotted as polyhedron. (b) Band gap of ASnO 3 as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO 3 /A'SnO 3 superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO 3 , [001] ordered superlattices, and [111] ordered superlattices of ASnO 3 /A'SnO 3 as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO 3 and ASnO 3 /A'SnO 3 . • The band gap of ASnO 3 using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap

Functionalized hybrid nanofibers to mimic native ECM for tissue engineering applications

International Nuclear Information System (INIS)

Karuppuswamy, Priyadharsini; Venugopal, Jayarama Reddy; Navaneethan, Balchandar; Laiva, Ashang Luwang; Sridhar, Sreepathy; Ramakrishna, Seeram

2014-01-01

Highlights: • Functionalized hybrid polymer mats fabricated for tissue engineering. • Hybrid polymer mats showed high surface area, high porosity and good wettability. • Incorporation of natural polymers modified the properties of nanofiber mats more biologically favorable for biomedical applications. - Abstract: Nanotechnology being one of the most promising technologies today shows an extremely huge potential in the field of tissue engineering to mimic the porous topography of natural extracellular matrix (ECM). Natural polymers are incorporated into the synthetic polymers to fabricate functionalized hybrid nanofibrous scaffolds, which improve cell and tissue compatibility. The present study identified the biopolymers – aloe vera, silk fibroin and curcumin incorporated into polycaprolactone (PCL) as suitable substrates for tissue engineering. Different combinations of PCL with natural polymers – PCL/aloe vera, PCL/silk fibroin, PCL/aloe vera/silk fibroin, PCL/aloe vera/silk fibroin/curcumin were electrospun into nanofibrous scaffolds. The fabricated two dimensional nanofibrous scaffolds showed high surface area, appropriate mechanical properties, hydrophilicity and porosity, required for the regeneration of diseased tissues. The nanofibrous scaffolds were characterized by Scanning electron microscope (SEM), porometry, Instron tensile tester, VCA optima contact angle measurement and FTIR to analyze the fiber diameter and morphology, porosity and pore size distribution, mechanical strength, wettability, chemical bonds and functional groups, respectively. The average fiber diameter of obtained fibers ranged from 250 nm to 350 nm and the tensile strength of PCL scaffolds at 4.49 MPa increased upto 8.3 MPa for PCL/silk fibroin scaffolds. Hydrophobicity of PCL decreased with the incorporation of natural polymers, especially for PCL/aloe vera scaffolds. The properties of as-spun nanofiber scaffolds showed their potential as promising scaffold materials in

Functionalized hybrid nanofibers to mimic native ECM for tissue engineering applications

Energy Technology Data Exchange (ETDEWEB)

Karuppuswamy, Priyadharsini [Center for Nanofibers and Nanotechnology, Nanoscience and Nanotechnology Initiative, Faculty of Engineering, National University of Singapore, Singapore (Singapore); Department Physics and Nanotechnology, SRM University, Kattankulathur, Chennai (India); Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Venugopal, Jayarama Reddy, E-mail: nnijrv@nus.edu.sg [Center for Nanofibers and Nanotechnology, Nanoscience and Nanotechnology Initiative, Faculty of Engineering, National University of Singapore, Singapore (Singapore); Navaneethan, Balchandar [Center for Nanofibers and Nanotechnology, Nanoscience and Nanotechnology Initiative, Faculty of Engineering, National University of Singapore, Singapore (Singapore); Department Physics and Nanotechnology, SRM University, Kattankulathur, Chennai (India); Laiva, Ashang Luwang; Sridhar, Sreepathy; Ramakrishna, Seeram [Center for Nanofibers and Nanotechnology, Nanoscience and Nanotechnology Initiative, Faculty of Engineering, National University of Singapore, Singapore (Singapore)

2014-12-15

Highlights: • Functionalized hybrid polymer mats fabricated for tissue engineering. • Hybrid polymer mats showed high surface area, high porosity and good wettability. • Incorporation of natural polymers modified the properties of nanofiber mats more biologically favorable for biomedical applications. - Abstract: Nanotechnology being one of the most promising technologies today shows an extremely huge potential in the field of tissue engineering to mimic the porous topography of natural extracellular matrix (ECM). Natural polymers are incorporated into the synthetic polymers to fabricate functionalized hybrid nanofibrous scaffolds, which improve cell and tissue compatibility. The present study identified the biopolymers – aloe vera, silk fibroin and curcumin incorporated into polycaprolactone (PCL) as suitable substrates for tissue engineering. Different combinations of PCL with natural polymers – PCL/aloe vera, PCL/silk fibroin, PCL/aloe vera/silk fibroin, PCL/aloe vera/silk fibroin/curcumin were electrospun into nanofibrous scaffolds. The fabricated two dimensional nanofibrous scaffolds showed high surface area, appropriate mechanical properties, hydrophilicity and porosity, required for the regeneration of diseased tissues. The nanofibrous scaffolds were characterized by Scanning electron microscope (SEM), porometry, Instron tensile tester, VCA optima contact angle measurement and FTIR to analyze the fiber diameter and morphology, porosity and pore size distribution, mechanical strength, wettability, chemical bonds and functional groups, respectively. The average fiber diameter of obtained fibers ranged from 250 nm to 350 nm and the tensile strength of PCL scaffolds at 4.49 MPa increased upto 8.3 MPa for PCL/silk fibroin scaffolds. Hydrophobicity of PCL decreased with the incorporation of natural polymers, especially for PCL/aloe vera scaffolds. The properties of as-spun nanofiber scaffolds showed their potential as promising scaffold materials in

Immobilization of carbon nanotubes on functionalized graphene film grown by chemical vapor deposition and characterization of the hybrid material

Directory of Open Access Journals (Sweden)

Prashanta Dhoj Adhikari

2014-01-01

Full Text Available We report the surface functionalization of graphene films grown by chemical vapor deposition and fabrication of a hybrid material combining multi-walled carbon nanotubes and graphene (CNT–G. Amine-terminated self-assembled monolayers were prepared on graphene by the UV-modification of oxidized groups introduced onto the film surface. Amine-termination led to effective interaction with functionalized CNTs to assemble a CNT–G hybrid through covalent bonding. Characterization clearly showed no defects of the graphene film after the immobilization reaction with CNT. In addition, the hybrid graphene material revealed a distinctive CNT–G structure and p–n type electrical properties. The introduction of functional groups on the graphene film surface and fabrication of CNT–G hybrids with the present technique could provide an efficient, novel route to device fabrication.

Hybride textuelle Strukturen und hybride textuelle Einheiten. Ein Beitrag zur Theorie der Wörterbuchform

Directory of Open Access Journals (Sweden)

Herbert Ernst Wiegand

2011-10-01

Textsegmentklassen aufweisen (vgl. die Stichwörter.

Stichwörter: ANGABERELATION, ELEMENTENHETEROGENE TRÄGERMENGE, FUNKTIONALER ANGABEZUSATZ, FUNKTIONAL-POSITIONALE SEGMENTATION, HIERARCHISCHE ARCHITEKTONISCH ANGEREICHERTE ARTIKELMIKROSTRUKTUR, HIERARCHISCHE HYBRIDE ANGABENKONSTITUENTENSTRUKTUR MIT GLOSSATBEDINGTER TEILSTRUKTUR, HIERARCHISCHE HYBRIDE ANGABENSTRUKTUR, HIERARCHISCHE HYBRIDE ARTIKELKONSTITUENTENSTRUKTUR, HIERARCHISCHE HYBRIDE ARTIKELMIKROSTRUKTUR, HIERARCHISCHE HYBRIDE EXHAUSTIVE ANGABENSTRUKTUR, HIERARCHISCHE HYBRIDE GLOSSATBEDINGTE ANGABESTRUKTUR, HIERARCHISCHE HYBRIDE FLACHE DOPPELGLOSSATBEDINGTE ANGABESTRUKTUR, HIERARCHISCHE HYBRIDE MINIMIERTE GLOSSATBEDINGTE ANGABESTRUKTUR, HIERARCHISCHE HYBRIDE TEXTKONSTITUENTENSTRUKTUR, HIERARCHISCHE HYBRIDE TIEFE DOPPELGLOSSATBEDINGTE ANGABESTRUKTUR, HIERARCHISCHE REINE TEXTKONSTITUENTENSTRUKTUR, HYBRIDE VERWEISKENNZEICHNUNG, NICHTFUNKTIONALE-POSITIONALE SEGMENTATION, ORDNUNGSRELATION, SEGMENTATIVE ISOLIERUNG, VERTIKALE ANGABEARCHITEKTUR

ABSTRACT: Hybrid textual structures and hybrid textual units. A contribution to the theory of dictionary structures. In this contribution, the formation, presentation and performance of hybrid textual structures that display accessible entries are discussed by using examples from dictionary articles. The features of hybrid textual units are also explained. A dictionary article in a printed dictionary always displays both a hierarchical pure and a hierarchical hybrid text constituent structure, when it contains at least one functional item addition, e.g. an upward- or downward- or an internally-expanded one. Because functional item additions are text segments with an item function but without text constituent status, they are enabled by means of non-functional segmentation, so that both functional and non-functional text segments prevail. During the formation of structures they then enter the structure-carrying set so that the structurecarrying set of all hybrid

G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

KAUST Repository

Wang, H.; Chroneos, A.; Londos, C. A.; Sgourou, E. N.; Schwingenschlö gl, Udo

2014-01-01

Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G

A role of nanotube dangling pyrrole and oxygen functions in the electrochemical synthesis of polypyrrole/MWCNTs hybrid materials

International Nuclear Information System (INIS)

Krukiewicz, Katarzyna; Herman, Artur P.; Turczyn, Roman; Szymańska, Katarzyna; Koziol, Krzysztof K.K.; Boncel, Sławomir; Zak, Jerzy K.

2014-01-01

Highlights: • The effect of MWCNT functionalization on properties of PPy composites was explained. • The behavior of pristine, pyrrole-modified and oxidized MWCNT was explained. • Functionalization of MWCNT improved their dispersibility and processability. • Different mechanisms of (f-)MWCNT incorporation into PPy composites were explained. • Orientation of growing PPy chains was tailored through the addition of (f-)MWCNT. - Abstract: The effect of the functionalization of multi-walled carbon nanotubes (MWCNTs) on the process of electrochemical co-deposition of MWCNTs and polypyrrole (PPy), as well as the morphology of obtained composites have been demonstrated. As the nanotube components of the hybrids, three types of MWCNT were used, namely c-CVD derived (pristine) MWCNTs, their oxidized counterparts MWCNT-Ox and pyrrole-modified MWCNT-Py. The stability of pristine and functionalized MWCNTs (f-MWCNT) dispersions in tetrahydrofuran and water was studied together with the description of the process of formation PPy/(f-)MWCNT hybrid materials via electrochemical co-deposition. The structural and morphological properties of the hybrids were characterized by Raman spectroscopy, scanning electron microscopy and atomic force microscopy revealing substantial differences among hybrid materials in their surface morphology and the influence of MWCNT functionalization on the orientation of growing PPy chains

A role of nanotube dangling pyrrole and oxygen functions in the electrochemical synthesis of polypyrrole/MWCNTs hybrid materials

Energy Technology Data Exchange (ETDEWEB)

Krukiewicz, Katarzyna, E-mail: katarzyna.krukiewicz@polsl.pl [Department of Physical Chemistry and Technology of Polymers, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Herman, Artur P., E-mail: artur.herman@polsl.pl [Department of Organic Chemistry, Bioorganic Chemistry and Biotechnology, Silesian University of Technology, Krzywoustego 4, Gliwice 44-100 (Poland); Turczyn, Roman, E-mail: roman.turczyn@polsl.pl [Department of Physical Chemistry and Technology of Polymers, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland); Szymańska, Katarzyna, E-mail: katarzyna.szymanska@polsl.pl [Department of Chemical and Process Engineering, Silesian University of Technology, Strzody 7, 44-100 Gliwice (Poland); Koziol, Krzysztof K.K., E-mail: kk292@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Boncel, Sławomir, E-mail: slawomir.boncel@polsl.pl [Department of Organic Chemistry, Bioorganic Chemistry and Biotechnology, Silesian University of Technology, Krzywoustego 4, Gliwice 44-100 (Poland); Zak, Jerzy K., E-mail: jerzy.zak@polsl.pl [Department of Physical Chemistry and Technology of Polymers, Silesian University of Technology, Strzody 9, 44-100 Gliwice (Poland)

2014-10-30

Highlights: • The effect of MWCNT functionalization on properties of PPy composites was explained. • The behavior of pristine, pyrrole-modified and oxidized MWCNT was explained. • Functionalization of MWCNT improved their dispersibility and processability. • Different mechanisms of (f-)MWCNT incorporation into PPy composites were explained. • Orientation of growing PPy chains was tailored through the addition of (f-)MWCNT. - Abstract: The effect of the functionalization of multi-walled carbon nanotubes (MWCNTs) on the process of electrochemical co-deposition of MWCNTs and polypyrrole (PPy), as well as the morphology of obtained composites have been demonstrated. As the nanotube components of the hybrids, three types of MWCNT were used, namely c-CVD derived (pristine) MWCNTs, their oxidized counterparts MWCNT-Ox and pyrrole-modified MWCNT-Py. The stability of pristine and functionalized MWCNTs (f-MWCNT) dispersions in tetrahydrofuran and water was studied together with the description of the process of formation PPy/(f-)MWCNT hybrid materials via electrochemical co-deposition. The structural and morphological properties of the hybrids were characterized by Raman spectroscopy, scanning electron microscopy and atomic force microscopy revealing substantial differences among hybrid materials in their surface morphology and the influence of MWCNT functionalization on the orientation of growing PPy chains.

Principle, function, experiences, hybrid chilled ceilings; Prinzip, Funktion, Erfahrungen. Hybrid-Kuehldecken

Energy Technology Data Exchange (ETDEWEB)

Schulz, Uwe W. [Hochschule Luzern (Switzerland). Technik und Architektur

2010-12-15

Hybrid chilled ceilings combine a radiation chilled ceiling with thermal activations of a concrete ceiling. The activation permits the utilization of alternative and/or small cold generators for the efficient night cooling. The traditional chilled ceiling grants a speedy reaction to load variations as well as a reduction of the reverberation periods. In addition, the combination supplies a draught-free insertion of air. Beside established solutions, MWH Barcol-Air (Staefa, Switzerland) also offers project-specific hybrid chilled ceilings.

The resilient hybrid fiber sensor network with self-healing function

Energy Technology Data Exchange (ETDEWEB)

Xu, Shibo, E-mail: Shibo-Xu@tju.edu.cn; Liu, Tiegen; Ge, Chunfeng; Chen, Qinnan; Zhang, Hongxia [College of Precision Instrument and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Opto-electronics Information Technology (Tianjin University), Ministry of Education, Tianjin 300072 (China)

2015-03-15

This paper presents a novel resilient fiber sensor network (FSN) with multi-ring architecture, which could interconnect various kinds of fiber sensors responsible for more than one measurands. We explain how the intelligent control system provides sensors with self-healing function meanwhile sensors are working properly, besides each fiber in FSN is under real-time monitoring. We explain the software process and emergency mechanism to respond failures or other circumstances. To improve the efficiency in the use of limited spectrum resources in some situations, we have two different structures to distribute the light sources rationally. Then, we propose a hybrid sensor working in FSN which is a combination of a distributed sensor and a FBG (Fiber Bragg Grating) array fused in a common fiber sensing temperature and vibrations simultaneously with neglectable crosstalk to each other. By making a failure to a working fiber in experiment, the feasibility and effectiveness of the network with a hybrid sensor has been demonstrated, hybrid sensors could not only work as designed but also survive from destructive failures with the help of resilient network and smart and quick self-healing actions. The network has improved the viability of the fiber sensors and diversity of measurands.

The resilient hybrid fiber sensor network with self-healing function

Science.gov (United States)

Xu, Shibo; Liu, Tiegen; Ge, Chunfeng; Chen, Qinnan; Zhang, Hongxia

2015-03-01

This paper presents a novel resilient fiber sensor network (FSN) with multi-ring architecture, which could interconnect various kinds of fiber sensors responsible for more than one measurands. We explain how the intelligent control system provides sensors with self-healing function meanwhile sensors are working properly, besides each fiber in FSN is under real-time monitoring. We explain the software process and emergency mechanism to respond failures or other circumstances. To improve the efficiency in the use of limited spectrum resources in some situations, we have two different structures to distribute the light sources rationally. Then, we propose a hybrid sensor working in FSN which is a combination of a distributed sensor and a FBG (Fiber Bragg Grating) array fused in a common fiber sensing temperature and vibrations simultaneously with neglectable crosstalk to each other. By making a failure to a working fiber in experiment, the feasibility and effectiveness of the network with a hybrid sensor has been demonstrated, hybrid sensors could not only work as designed but also survive from destructive failures with the help of resilient network and smart and quick self-healing actions. The network has improved the viability of the fiber sensors and diversity of measurands.

The resilient hybrid fiber sensor network with self-healing function

International Nuclear Information System (INIS)

Xu, Shibo; Liu, Tiegen; Ge, Chunfeng; Chen, Qinnan; Zhang, Hongxia

2015-01-01

This paper presents a novel resilient fiber sensor network (FSN) with multi-ring architecture, which could interconnect various kinds of fiber sensors responsible for more than one measurands. We explain how the intelligent control system provides sensors with self-healing function meanwhile sensors are working properly, besides each fiber in FSN is under real-time monitoring. We explain the software process and emergency mechanism to respond failures or other circumstances. To improve the efficiency in the use of limited spectrum resources in some situations, we have two different structures to distribute the light sources rationally. Then, we propose a hybrid sensor working in FSN which is a combination of a distributed sensor and a FBG (Fiber Bragg Grating) array fused in a common fiber sensing temperature and vibrations simultaneously with neglectable crosstalk to each other. By making a failure to a working fiber in experiment, the feasibility and effectiveness of the network with a hybrid sensor has been demonstrated, hybrid sensors could not only work as designed but also survive from destructive failures with the help of resilient network and smart and quick self-healing actions. The network has improved the viability of the fiber sensors and diversity of measurands

Hybrid functional band gap calculation of SnO{sub 6} containing perovskites and their derived structures

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyewon [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of); Cheong, S.W. [Rutgers Center for Emergent Materials and Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Kim, Bog G., E-mail: boggikim@pusan.ac.kr [Department of Physics, Pusan National University, Pusan 609-735, Republic of South Korea (Korea, Republic of)

2015-08-15

We have studied the properties of SnO{sub 6} octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO{sub 6} containing perovskites. We also have expended the hybrid density functional calculation to the ASnO{sub 3}/A'SnO{sub 3} system with different cation orderings. We propose an empirical relationship between the tolerance factor and the band gap of SnO{sub 6} containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO{sub 3} for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO{sub 6} octahedrons are plotted as polyhedron. (b) Band gap of ASnO{sub 3} as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO{sub 3}/A'SnO{sub 3} superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO{sub 3}, [001] ordered superlattices, and [111] ordered superlattices of ASnO{sub 3}/A'SnO{sub 3} as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO{sub 3} and ASnO{sub 3}/A'SnO{sub 3}. • The band gap of ASnO{sub 3} using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap.

Hybrid local piezoelectric and conductive functions for high performance airborne sound absorption

Science.gov (United States)

Rahimabady, Mojtaba; Statharas, Eleftherios Christos; Yao, Kui; Sharifzadeh Mirshekarloo, Meysam; Chen, Shuting; Tay, Francis Eng Hock

2017-12-01

A concept of hybrid local piezoelectric and electrical conductive functions for improving airborne sound absorption is proposed and demonstrated in composite foam made of porous polar polyvinylidene fluoride (PVDF) mixed with conductive single-walled carbon nanotube (SWCNT). According to our hybrid material function design, the local piezoelectric effect in the PVDF matrix with the polar structure and the electrical resistive loss of SWCNT enhanced sound energy conversion to electrical energy and subsequently to thermal energy, respectively, in addition to the other known sound absorption mechanisms in a porous material. It is found that the overall energy conversion and hence the sound absorption performance are maximized when the concentration of the SWCNT is around the conductivity percolation threshold. For the optimal composition of PVDF/5 wt. % SWCNT, a sound reduction coefficient of larger than 0.58 has been obtained, with a high sound absorption coefficient higher than 50% at 600 Hz, showing their great values for passive noise mitigation even at a low frequency.

Benchmarking Density Functional Theory Based Methods To Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals.

Science.gov (United States)

Zaffran, Jeremie; Caspary Toroker, Maytal

2016-08-09

NiOOH has recently been used to catalyze water oxidation by way of electrochemical water splitting. Few experimental data are available to rationalize the successful catalytic capability of NiOOH. Thus, theory has a distinctive role for studying its properties. However, the unique layered structure of NiOOH is associated with the presence of essential dispersion forces within the lattice. Hence, the choice of an appropriate exchange-correlation functional within Density Functional Theory (DFT) is not straightforward. In this work, we will show that standard DFT is sufficient to evaluate the geometry, but DFT+U and hybrid functionals are required to calculate the oxidation states. Notably, the benefit of DFT with van der Waals correction is marginal. Furthermore, only hybrid functionals succeed in opening a bandgap, and such methods are necessary to study NiOOH electronic structure. In this work, we expect to give guidelines to theoreticians dealing with this material and to present a rational approach in the choice of the DFT method of calculation.

Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

Science.gov (United States)

Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

2016-06-21

We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

Investigation of iron spin crossover pressure in Fe-bearing MgO using hybrid functional

Science.gov (United States)

Cheng, Ya; Wang, Xianlong; Zhang, Jie; Yang, Kaishuai; Zhang, Chuanguo; Zeng, Zhi; Lin, Haiqin

2018-04-01

Pressure-induced spin crossover behaviors of Fe-bearing MgO were widely investigated by using an LDA  +  U functional for describing the strongly correlated Fe–O bonding. Moreover, the simulated spin crossover pressures depend on the applied U values, which are sensitive to environments and parameters. In this work, the spin crossover pressures of (Mg1‑x ,Fe x )O are investigated by using the hybrid functional with a uniform parameter. Our results indicate that the spin crossover pressures increase with increasing iron concentration. For example, the spin crossover pressure of (Mg0.03125,Fe0.96875)O and FeO was 56 GPa and 127 GPa, respectively. The calculated crossover pressures agreed well with the experimental observations. Therefore, the hybrid functional should be an effective method for describing the pressure-induced spin crossover behaviors in transition metal oxides.

Mechanical characterization of hybrid and functionally-graded aluminum open-cell foams with nanocrystalline-copper coatings

Science.gov (United States)

Sun, Yi

Cellular/foam materials found in nature such as bone, wood, and bamboo are usually functionally graded by having a non-uniform density distribution and inhomogenous composition that optimizes their global mechanical performance. Inspired by such naturally engineered products, the current study was conducted towards the development of functionally graded hybrid metal foams (FGHMF) with electrodeposited (ED) nanocrystalline coatings. First, the deformation and failure mechanisms of aluminum/copper (Al/Cu) hybrid foams were investigated using finite element analyses at different scales. The micro-scale behavior was studied based on single ligament models discretized using continuum elements and the macro-scale behavior was investigated using beam-element based finite element models of representative unit volumes consisting of multiple foam cells. With a detailed constitutive material behavior and material failure considered for both the aluminum ligament and the nano-copper coating, the numerical models were able to capture the unique behavior of Al/Cu hybrid foams, such as the typically observed sudden load drop after yielding. The numerical models indicate that such load drop is caused by the fracture of foam ligaments initiated from the rupture of the ED nano-copper coating due to its low ductility. This failure mode jeopardizes the global energy absorption capacity of hybrid foams, especially when a thick coating is applied. With the purpose of enhancing the performance of Al/Cu hybrid foams, an annealing process, which increased the ductility of the nanocrystalline copper coating by causing recovery, recrystallination and grain growth, was introduced in the manufacturing of Al/Cu hybrid foams. Quasi-static experimental results indicate that when a proper amount of annealing is applied, the ductility of the ED copper can be effectively improved and the compressive and tensile behavior of Al/Cu hybrid foams can be significantly enhanced, including better energy

Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections

Energy Technology Data Exchange (ETDEWEB)

Chai, Jeng-Da; Head-Gordon, Martin

2008-06-14

We report re-optimization of a recently proposed long-range corrected (LC) hybrid density functionals [J.-D. Chai and M. Head-Gordon, J. Chem. Phys. 128, 084106 (2008)] to include empirical atom-atom dispersion corrections. The resulting functional, {omega}B97X-D yields satisfactory accuracy for thermochemistry, kinetics, and non-covalent interactions. Tests show that for non-covalent systems, {omega}B97X-D shows slight improvement over other empirical dispersion-corrected density functionals, while for covalent systems and kinetics, it performs noticeably better. Relative to our previous functionals, such as {omega}B97X, the new functional is significantly superior for non-bonded interactions, and very similar in performance for bonded interactions.

Cardiac hybrid imaging

Energy Technology Data Exchange (ETDEWEB)

Gaemperli, Oliver [University Hospital Zurich, Cardiac Imaging, Zurich (Switzerland); University Hospital Zurich, Nuclear Cardiology, Cardiovascular Center, Zurich (Switzerland); Kaufmann, Philipp A. [University Hospital Zurich, Cardiac Imaging, Zurich (Switzerland); Alkadhi, Hatem [University Hospital Zurich, Institute of Diagnostic and Interventional Radiology, Zurich (Switzerland)

2014-05-15

Hybrid cardiac single photon emission computed tomography (SPECT)/CT imaging allows combined assessment of anatomical and functional aspects of cardiac disease. In coronary artery disease (CAD), hybrid SPECT/CT imaging allows detection of coronary artery stenosis and myocardial perfusion abnormalities. The clinical value of hybrid imaging has been documented in several subsets of patients. In selected groups of patients, hybrid imaging improves the diagnostic accuracy to detect CAD compared to the single imaging techniques. Additionally, this approach facilitates functional interrogation of coronary stenoses and guidance with regard to revascularization procedures. Moreover, the anatomical information obtained from CT coronary angiography or coronary artery calcium scores (CACS) adds prognostic information over perfusion data from SPECT. The use of cardiac hybrid imaging has been favoured by the dissemination of dedicated hybrid systems and the release of dedicated image fusion software, which allow simple patient throughput for hybrid SPECT/CT studies. Further technological improvements such as more efficient detector technology to allow for low-radiation protocols, ultra-fast image acquisition and improved low-noise image reconstruction algorithms will be instrumental to further promote hybrid SPECT/CT in research and clinical practice. (orig.)

Organic-inorganic hybrid foams with diatomite addition: Effect on functional properties

Science.gov (United States)

Verdolotti, L.; D'Auria, M.; Lavorgna, M.; Vollaro, P.; Iannace, S.; Capasso, I.; Galzerano, B.; Caputo, D.; Liguori, B.

2016-05-01

Organic-inorganic hybrid foams were prepared by using metakaolin, diatomite as a partial (or total) replacement of metakaolin, as matrix, silicon and whipped protein as pore forming. The foamed systems were hardened at defined temperature and time and then characterized by mechanical point of view through compression tests and by functional point of view through fire reaction and acoustic tests. The experimental findings highlighted that the replacement of diatomite in the formulation affected the morphological structure of the foams and consequently their mechanical properties. In particular, the consolidation mechanism in the diatomite based-hybrid foams changed from geopolymerization to a silicate polycondensation mechanism. Therefore, mechanical performances enhanced with increasing of the diatomite content. Fire reaction tests, such as non-combustibility and cone calorimeter tests, showed positive thermal inertia of samples regardless of the content of diatomite.

Functionally graded scaffolds for the engineering of interface tissues using hybrid twin screw extrusion/electrospinning technology

Science.gov (United States)

Erisken, Cevat

Tissue engineering is the application of the principles of engineering and life sciences for the development of biological alternatives for improvement or regeneration of native tissues. Native tissues are complex structures with functions and properties changing spatially and temporally, and engineering of such structures requires functionally graded scaffolds with composition and properties changing systematically along various directions. Utilization of a new hybrid technology integrating the controlled feeding, compounding, dispersion, deaeration, and pressurization capabilities of extrusion process with electrospinning allows incorporation of liquids and solid particles/nanoparticles into polymeric fibers/nanofibers for fabrication of functionally graded non-woven meshes to be used as scaffolds in engineering of tissues. The capabilities of the hybrid technology were demonstrated with a series of scaffold fabrication and cell culturing studies along with characterization of biomechanical properties. In the first study, the hybrid technology was employed to generate concentration gradations of beta-tricalcium phosphate (beta-TCP) nanoparticles in a polycaprolactone (PCL) binder, between two surfaces of nanofibrous scaffolds. These scaffolds were seeded with pre-osteoblastic cell line (MC3T3-E1) to attempt to engineer cartilage-bone interface, and after four weeks, the tissue constructs revealed formation of continuous gradations in extracellular matrix akin to cartilage-bone interface in terms of distributions of mineral concentrations and biomechanical properties. In a second demonstration of the hybrid technology, graded differentiation of stem cells was attempted by using insulin, a known stimulator of chondrogenic differentiation, and beta-glycerol phosphate (beta-GP), for mineralization. Concentrations of insulin and beta-GP in PCL were controlled to monotonically increase and decrease, respectively, along the length of scaffolds, which were then seeded

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

Science.gov (United States)

Phillips, Jordan J; Peralta, Juan E

2012-09-11

Semilocal functionals generally yield poor magnetic exchange couplings for transition-metal complexes, typically overpredicting in magnitude the experimental values. Here we show that semilocal functionals evaluated nonself-consistently on densities from hybrid functionals can yield magnetic exchange couplings that are greatly improved with respect to their self-consistent semilocal values. Furthermore, when semilocal functionals are evaluated nonself-consistently on densities from a "half-and-half" hybrid, their errors with respect to experimental values can actually be lower than those from self-consistent calculations with standard hybrid functionals such as PBEh or TPSSh. This illustrates that despite their notoriously poor performance for exchange couplings, for many systems semilocal functionals are capable of delivering accurate relative energies for magnetic states provided that their electron delocalization error is corrected. However, while self-consistent calculations with hybrids uniformly improve results for all complexes, evaluating nonself-consistently with semilocal functionals does not give a balanced improvement for both ferro- and antiferromagnetically coupled complexes, indicating that there is more at play with the overestimation problem than simply the delocalization error. Additionally, we show that for some systems the conventional wisdom of choice of exchange functional mattering more than correlation does not hold. This combined with results from the nonself-consistent calculations provide insight on clarifying the relative roles of exchange, correlation, and delocalization in calculating magnetic exchange coupling parameters in Kohn-Sham Density Functional Theory.

Communication: Hole localization in Al-doped quartz SiO{sub 2} within ab initio hybrid-functional DFT

Energy Technology Data Exchange (ETDEWEB)

Gerosa, Matteo [Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano (Italy); Di Valentin, Cristiana; Pacchioni, Gianfranco [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi 55, 20125 Milan (Italy); Bottani, Carlo Enrico, E-mail: carlo.bottani@polimi.it [Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano (Italy); Center for Nano Science and Technology @Polimi, Istituto Italiano di Tecnologia, via Pascoli 70/3, 20133 Milano (Italy); Onida, Giovanni [Dipartimento di Fisica dell’ Universita’ degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milan (Italy)

2015-09-21

We investigate the long-standing problem of hole localization at the Al impurity in quartz SiO{sub 2}, using a relatively recent DFT hybrid-functional method in which the exchange fraction is obtained ab initio, based on an analogy with the static many-body COHSEX approximation to the electron self-energy. As the amount of the admixed exact exchange in hybrid functionals has been shown to be determinant for properly capturing the hole localization, this problem constitutes a prototypical benchmark for the accuracy of the method, allowing one to assess to what extent self-interaction effects are avoided. We obtain good results in terms of description of the charge localization and structural distortion around the Al center, improving with respect to the more popular B3LYP hybrid-functional approach. We also discuss the accuracy of computed hyperfine parameters, by comparison with previous calculations based on other self-interaction-free methods, as well as experimental values. We discuss and rationalize the limitations of our approach in computing defect-related excitation energies in low-dielectric-constant insulators.

VV and VO2 defects in silicon studied with hybrid density functional theory

KAUST Repository

Christopoulos, Stavros Richard G

2014-12-07

The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.

A Novel Shape-Free Plane Quadratic Polygonal Hybrid Stress-Function Element

Directory of Open Access Journals (Sweden)

Pei-Lei Zhou

2015-01-01

Full Text Available A novel plane quadratic shape-free hybrid stress-function (HS-F polygonal element is developed by employing the principle of minimum complementary energy and the fundamental analytical solutions of the Airy stress function. Without construction of displacement interpolation function, the formulations of the new model are much simpler than those of the displacement-based polygonal elements and can be degenerated into triangular or quadrilateral elements directly. In particular, it is quite insensitive to various mesh distortions and even can keep precision when element shape is concave. Furthermore, the element does not show any spurious zero energy modes. Numerical examples show the excellent performance of the new element, denoted by HSF-AP-19β, in both displacement and stress solutions.

Hybrid2 - The hybrid power system simulation model

Energy Technology Data Exchange (ETDEWEB)

Baring-Gould, E.I.; Green, H.J.; Dijk, V.A.P. van [National Renewable Energy Lab., Golden, CO (United States); Manwell, J.F. [Univ. of Massachusetts, Amherst, MA (United States)

1996-12-31

There is a large-scale need and desire for energy in remote communities, especially in the developing world; however the lack of a user friendly, flexible performance prediction model for hybrid power systems incorporating renewables hindered the analysis of hybrids as options to conventional solutions. A user friendly model was needed with the versatility to simulate the many system locations, widely varying hardware configurations, and differing control options for potential hybrid power systems. To meet these ends, researchers from the National Renewable Energy Laboratory (NREL) and the University of Massachusetts (UMass) developed the Hybrid2 software. This paper provides an overview of the capabilities, features, and functionality of the Hybrid2 code, discusses its validation and future plans. Model availability and technical support provided to Hybrid2 users are also discussed. 12 refs., 3 figs., 4 tabs.

Andro Kööp : "Püüan ruumi tunnet maalida" / Gitte Hint

Index Scriptorium Estoniae

Hint, Gitte

2003-01-01

Andro Kööp (sünd. 1967) sellest, kuidas ta sattus sisearhitektuuriga tegelema, oma eelistustest ja harmooniast sisekujunduses, kodu kujundusest jm. A. Kööbist, tema loomingust, omistatud preemiad, valik A. Kööbi kujundatud ühiskondlikke interjööre. Ill.: värv. foto A. Kööbist

Controlling the Morphology and Efficiency of Hybrid ZnO : Polythiophene Solar Cells Via Side Chain Functionalization

NARCIS (Netherlands)

Oosterhout, Stefan D.; Koster, L. Jan Anton; van Bavel, Svetlana S.; Loos, Joachim; Stenzel, Ole; Thiedmann, Ralf; Schmidt, Volker; Campo, Bert; Cleij, Thomas J.; Lutzen, Laurence; Vanderzande, Dirk; Wienk, Martijn M.; Janssen, Rene A. J.

2011-01-01

The efficiency of polymer - metal oxide hybrid solar cells depends critically on the intimacy of mixing of the two semiconductors. The effect of side chain functionalization on the morphology and performance of conjugated polymer:ZnO solar cells is investigated. Using an ester-functionalized side

Optimum Dispatch of Hybrid Solar Thermal (HSTP Electric Power Plant Using Non-Smooth Cost Function and Emission Function for IEEE-30 Bus System

Directory of Open Access Journals (Sweden)

Saroj Kumar Dash

2016-07-01

Full Text Available The basic objective of economic load dispatch (ELD is to optimize the total fuel cost of hybrid solar thermal electric power plant (HSTP. In ELD problems the cost function for each generator has been approximated by a single quadratic cost equation. As cost of coal increases, it becomes even more important have a good model for the production cost of each generator for the solar thermal hybrid system. A more accurate formulation is obtained for the ELD problem by expressing the generation cost function as a piece wise quadratic cost function. However, the solution methods for ELD problem with piece wise quadratic cost function requires much complicated algorithms such as the hierarchical structure approach along with evolutionary computations (ECs. A test system comprising of 10 units with 29 different fuel [7] cost equations is considered in this paper. The applied genetic algorithm method will provide optimal solution for the given load demand.

Electrochemical and anticorrosion behaviors of hybrid functionalized graphite nano-platelets/tripolyphosphate in epoxy-coated carbon steel

International Nuclear Information System (INIS)

Mohammadi, Somayeh; Shariatpanahi, Homeira; Taromi, Faramarz Afshar; Neshati, Jaber

2016-01-01

Highlights: • FGNP was combined with TPP to obtain a hybrid nano-particle. • TEM image showed uniform distribution of the hybrid nanoparticles in epoxy coating. • FGNP is a substrate for linking of TPP anions by hydrogen bonding. • FGNP as an accelerator, provides rapid iron phosphate passive film formation. • The hybrid nano-particle can provide long-term corrosion protection. - Abstract: Functionalized graphite nano-platelets (FGNP) were combined with tripolyphosphate (TPP) to gain a hybrid nano-particle (FGNP-TPP) with homogenous dispersion in epoxy, resulting in an excellent anti-corrosion coating for carbon steel substrate. Characterization analyses of the hybrid nano-particle were performed by FT-IR, SEM, XRD and TEM. TPP was linked to FGNP nano-particles by hydrogen bondings. Different epoxy coatings formulated with 1 wt.% of FGNP, FGNP-TPP and TPP were evaluated. Electrochemical investigations, salt spray and pull-off tests showed that the hybrid nano-particle can provide long-term corrosion protection compared to FGNP and TPP due to synergistic effect between FGNP as an accelerator and TPP as a corrosion inhibitor to produce a uniform and stable iron-phosphate passive film with high surface coverage.

Electrochemical and anticorrosion behaviors of hybrid functionalized graphite nano-platelets/tripolyphosphate in epoxy-coated carbon steel

Energy Technology Data Exchange (ETDEWEB)

Mohammadi, Somayeh, E-mail: somaye.mohammadi32@aut.ac.ir [Department of Chemistry, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Shariatpanahi, Homeira [Corrosion Department, Research Institute of Petroleum Industry (RIPI), P.O. Box 18745-4163, Tehran (Iran, Islamic Republic of); Taromi, Faramarz Afshar [Department of Polymer Engineering, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of); Neshati, Jaber [Corrosion Department, Research Institute of Petroleum Industry (RIPI), P.O. Box 18745-4163, Tehran (Iran, Islamic Republic of)

2016-08-15

Highlights: • FGNP was combined with TPP to obtain a hybrid nano-particle. • TEM image showed uniform distribution of the hybrid nanoparticles in epoxy coating. • FGNP is a substrate for linking of TPP anions by hydrogen bonding. • FGNP as an accelerator, provides rapid iron phosphate passive film formation. • The hybrid nano-particle can provide long-term corrosion protection. - Abstract: Functionalized graphite nano-platelets (FGNP) were combined with tripolyphosphate (TPP) to gain a hybrid nano-particle (FGNP-TPP) with homogenous dispersion in epoxy, resulting in an excellent anti-corrosion coating for carbon steel substrate. Characterization analyses of the hybrid nano-particle were performed by FT-IR, SEM, XRD and TEM. TPP was linked to FGNP nano-particles by hydrogen bondings. Different epoxy coatings formulated with 1 wt.% of FGNP, FGNP-TPP and TPP were evaluated. Electrochemical investigations, salt spray and pull-off tests showed that the hybrid nano-particle can provide long-term corrosion protection compared to FGNP and TPP due to synergistic effect between FGNP as an accelerator and TPP as a corrosion inhibitor to produce a uniform and stable iron-phosphate passive film with high surface coverage.

Controlling the morphology and efficiency of hybrid ZnO: Polythiophene solar cells via side chain functionalization

NARCIS (Netherlands)

Oosterhout, S.D.; Koster, L.J.A.; Bavel, van S.S.; Loos, J.; Stenzel, O.; Thiedmann, R.; Schmidt, V.; Campo, B.J.; Cleij, T.J.; Lutzen, L.; Vanderzande, D.J.M.; Wienk, M.M.; Janssen, R.A.J.

2011-01-01

The efficiency of polymer – metal oxide hybrid solar cells depends critically on the intimacy of mixing of the two semiconductors. The effect of side chain functionalization on the morphology and performance of conjugated polymer:ZnO solar cells is investigated. Using an ester-functionalized side

Hybrid brain-computer interfaces and hybrid neuroprostheses for restoration of upper limb functions in individuals with high-level spinal cord injury.

Science.gov (United States)

Rohm, Martin; Schneiders, Matthias; Müller, Constantin; Kreilinger, Alex; Kaiser, Vera; Müller-Putz, Gernot R; Rupp, Rüdiger

2013-10-01

The bilateral loss of the grasp function associated with a lesion of the cervical spinal cord severely limits the affected individuals' ability to live independently and return to gainful employment after sustaining a spinal cord injury (SCI). Any improvement in lost or limited grasp function is highly desirable. With current neuroprostheses, relevant improvements can be achieved in end users with preserved shoulder and elbow, but missing hand function. The aim of this single case study is to show that (1) with the support of hybrid neuroprostheses combining functional electrical stimulation (FES) with orthoses, restoration of hand, finger and elbow function is possible in users with high-level SCI and (2) shared control principles can be effectively used to allow for a brain-computer interface (BCI) control, even if only moderate BCI performance is achieved after extensive training. The individual in this study is a right-handed 41-year-old man who sustained a traumatic SCI in 2009 and has a complete motor and sensory lesion at the level of C4. He is unable to generate functionally relevant movements of the elbow, hand and fingers on either side. He underwent extensive FES training (30-45min, 2-3 times per week for 6 months) and motor imagery (MI) BCI training (415 runs in 43 sessions over 12 months). To meet individual needs, the system was designed in a modular fashion including an intelligent control approach encompassing two input modalities, namely an MI-BCI and shoulder movements. After one year of training, the end user's MI-BCI performance ranged from 50% to 93% (average: 70.5%). The performance of the hybrid system was evaluated with different functional assessments. The user was able to transfer objects of the grasp-and-release-test and he succeeded in eating a pretzel stick, signing a document and eating an ice cream cone, which he was unable to do without the system. This proof-of-concept study has demonstrated that with the support of hybrid FES

Metal-insulator transition at the LaAlO3/SrTiO3 interface revisited: A hybrid functional study

KAUST Repository

Cossu, Fabrizio

2013-07-17

We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid functional to determine the electronic structure. This approach offers the distinct advantage of accessing both the metallic and insulating multilayers on a parameter-free equal footing. As compared to calculations based on semilocal GGA functionals, our hybrid functional calculations lead to a considerably increased band gap for the insulating systems. The details of the electronic structure show substantial deviations from those obtained by GGA calculations. This casts severe doubts on all previous results based on semilocal functionals. In particular, corrections using rigid band shifts (“scissors operator”) cannot lead to valid results.

Synthesis and photophysical properties of pyrene-functionalized nano-SiO{sub 2} hybrids in solutions and doped-PMMA thin films

Energy Technology Data Exchange (ETDEWEB)

Wu, Wen-Jie; He, Wen-Li; Yu, Hong-Yu [Department of Chemistry, Fudan University, 220 Handan Road, Shanghai 200433 (China); Huang, Hong-Xiang [State Key Laboratory of Molecular Engineering of Polymers, Fudan University, 220 Handan Road, Shanghai 200433 (China); Chen, Meng [Department of Chemistry, Fudan University, 220 Handan Road, Shanghai 200433 (China); Qian, Dong-Jin, E-mail: djqian@fudan.edu.cn [Department of Chemistry, Fudan University, 220 Handan Road, Shanghai 200433 (China)

2017-01-15

Luminescent pyrene-functionalized nano-SiO{sub 2} (nano-SiO{sub 2}Pyr) hybrids were synthesized and characterized using thermogravimetry, infrared, UV–vis absorption and, X-ray photoelectron spectroscopy, as well as field emission transmission electron microscopy (FETEM). The organic substituents immobilized on the nano-SiO{sub 2}Pyr hybrids accounted for approximately 10% of the total weight. Polyethylene glycol 200 (PEG200) was found to be the most suitable solvent to suspend the nano-SiO{sub 2}Pyr hybrids compared to other commonly used organic solvents. FETEM images indicated an average SiO{sub 2} nanoparticle diameter of approximately 12 nm and a 1- to 2-nm thick organic species functionalization layer. Several emission peaks were recorded at wavelengths of 380–580 nm and were designated as emissions arising from either the monomer or excimer of the pyrene substituents. Excimer formation was concentration and solvent polarity dependent, with higher concentrations and a stronger solvent polarity benefiting excimer formation. Further, nano-SiO{sub 2}Pyr hybrids were doped in poly(methyl methacrylate) (PMMA) thin films; fluorescence spectra indicated that the excimer could be formed almost exclusively from neighboring nano-SiO{sub 2}Pyr hybrids. Time-resolved fluorescence decays revealed that the emission lifetimes of nano-SiO{sub 2}Pyr monomers and excimers were approximately 190 ns and 65–100 ns in the PEG200 solution, respectively, which was shortened to 0.45 ns to tens of ns in doped PMMA thin films, depending on the nano-hybrid concentration. Thus, the present study not only provides a method to prepare luminescent nano-materials but also a route to investigate excimer formation in solutions and thin films. - Highlights: • Luminescent pyrene-functionalized nano-SiO{sub 2}Pyr hybrids were prepared. • A 1- to 2- nm thick organic functionalization layer on nano-SiO{sub 2} was observed. • Formation of pyrene excimer was concentration and solvent

Brain PET and functional MRI: why simultaneously using hybrid PET/MR systems?

Science.gov (United States)

Cecchin, Diego; Palombit, Alessandro; Castellaro, Marco; Silvestri, Erica; Bui, Franco; Barthel, Henryk; Sabri, Osama; Corbetta, Maurizio; Bertoldo, Alessandra

2017-12-01

In the last 20 years growing attention has been devoted to multimodal imaging. The recent literature is rich of clinical and research studies that have been performed using different imaging modalities on both separate and integrated positron emission tomography (PET) and magnetic resonance (MR) scanners. However, today, hybrid PET/MR systems measure signals related to brain structure, metabolism, neurochemistry, perfusion, and neuronal activity simultaneously, i.e. in the same physiological conditions. A frequently raised question at meeting and symposia is: "Do we really need a hybrid PET/MR system? Are there any advantages over acquiring sequential and separate PET and MR scans?" The present paper is an attempt to answer these questions specifically in relation to PET combined with functional magnetic resonance imaging (fMRI) and arterial spin labeling. We searched (last update: June 2017) the databases PubMed, PMC, Google Scholar and Medline. We also included additional studies if they were cited in the selected articles. No language restriction was applied to the search, but the reviewed articles were all in English. Among all the retrieved articles, we selected only those performed using a hybrid PET/MR system. We found a total of 17 papers that were selected and discussed in three main groups according to the main radiopharmaceutical used: 18F-fluorodeoxyglucose (18F-FDG) (N.=8), 15O-water (15O-H2O) (N.=3) and neuroreceptors (N.=6). Concerning studies using 18F-FDG, simultaneous PET/fMRI revealed that global aspects of functional organization (e.g. graph properties of functional connections) are partially associated with energy consumption. There are remarkable spatial and functional similarities across modalities, but also discrepant findings. More work is needed on this point. There are only a handful of papers comparing blood flow measurements with PET 15O-H2O and MR arterial spin label (ASL) measures, and they show significant regional CBF differences

Memory, microprocessor, and ASIC

CERN Document Server

Chen, Wai-Kai

2003-01-01

System Timing. ROM/PROM/EPROM. SRAM. Embedded Memory. Flash Memories. Dynamic Random Access Memory. Low-Power Memory Circuits. Timing and Signal Integrity Analysis. Microprocessor Design Verification. Microprocessor Layout Method. Architecture. ASIC Design. Logic Synthesis for Field Programmable Gate Array (EPGA) Technology. Testability Concepts and DFT. ATPG and BIST. CAD Tools for BIST/DFT and Delay Faults.

Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.

Science.gov (United States)

Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

2017-07-28

We analyse the valence electronic structure of cobalt phthalocyanine (CoPc) by means of optimally tuning a range-separated hybrid functional. The tuning is performed by modifying both the amount of short-range exact exchange (α) included in the hybrid functional and the range-separation parameter (γ), with two strategies employed for finding the optimal γ for each α. The influence of these two parameters on the structural, electronic, and magnetic properties of CoPc is thoroughly investigated. The electronic structure is found to be very sensitive to the amount and range in which the exact exchange is included. The electronic structure obtained using the optimal parameters is compared to gas-phase photo-electron data and GW calculations, with the unoccupied states additionally compared with inverse photo-electron spectroscopy measurements. The calculated spectrum with tuned γ, determined for the optimal value of α = 0.1, yields a very good agreement with both experimental results and with GW calculations that well-reproduce the experimental data.

Synthesis and electrical characterization of low-temperature thermal-cured epoxy resin/functionalized silica hybrid-thin films for application as gate dielectrics

Energy Technology Data Exchange (ETDEWEB)

Na, Moonkyong, E-mail: nmk@keri.re.kr [HVDC Research Division, Korea Electrotechnology Research Institute, Changwon, 642-120 (Korea, Republic of); System on Chip Chemical Process Research Center, Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang, 790-784 (Korea, Republic of); Kang, Young Taec [Creative and Fundamental Research Division, Korea Electrotechnology Research Institute, Changwon, 642-120 (Korea, Republic of); Department of Polymer Science and Engineering, Pusan National University, Busan, 609-735 (Korea, Republic of); Kim, Sang Cheol [HVDC Research Division, Korea Electrotechnology Research Institute, Changwon, 642-120 (Korea, Republic of); Kim, Eun Dong [Creative and Fundamental Research Division, Korea Electrotechnology Research Institute, Changwon, 642-120 (Korea, Republic of)

2013-07-31

Thermal-cured hybrid materials were synthesized from homogenous hybrid sols of epoxy resins and organoalkoxysilane-functionalized silica. The chemical structures of raw materials and obtained hybrid materials were characterized using Fourier transform infrared spectroscopy. The thermal resistance of the hybrids was enhanced by hybridization. The interaction between epoxy matrix and the silica particles, which caused hydrogen bonding and van der Waals force was strengthened by organoalkoxysilane. The degradation temperature of the hybrids was improved by approximately 30 °C over that of the parent epoxy material. The hybrid materials were formed into uniformly coated thin films of about 50 nm-thick using a spin coater. An optimum mixing ratio was used to form smooth-surfaced hybrid films. The electrical property of the hybrid film was characterized, and the leakage current was found to be well below 10{sup −6} A cm{sup −2}. - Highlights: • Preparation of thermal-curable hybrid materials using epoxy resin and silica. • The thermal stability was enhanced through hybridization. • The insulation property of hybrid film was investigated as gate dielectrics.

Hybrid strategies in nanolithography

Energy Technology Data Exchange (ETDEWEB)

Saavedra, Hector M; Mullen, Thomas J; Zhang Pengpeng; Dewey, Daniel C; Claridge, Shelley A; Weiss, Paul S [Department of Chemistry, The Pennsylvania State University, University Park, PA 16802 (United States)], E-mail: psw@cnsi.ucla.edu

2010-03-15

Hybrid nanoscale patterning strategies combine the registration and addressability of conventional lithographic techniques with the chemical and physical functionality enabled by intermolecular, electrostatic and/or biological interactions. This review aims to highlight and to provide a comprehensive description of recent developments in hybrid nanoscale patterning strategies that enhance existing lithographic techniques or can be used to fabricate functional chemical patterns that interact with their environment. These functional structures create new capabilities, such as the fabrication of physicochemical surfaces that can recognize and capture analytes from complex liquid or gaseous mixtures. The nanolithographic techniques we describe can be classified into three general areas: traditional lithography, soft lithography and scanning-probe lithography. The strengths and limitations of each hybrid patterning technique will be discussed, along with the current and potential applications of the resulting patterned, functional surfaces.

Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function.

Science.gov (United States)

Panahi, S F K S; Namiranian, Afshin; Soleimani, Maryam; Jamaati, Maryam

2018-02-07

We investigate the electronic transport properties of two types of junction based on single polyaromatic hydrocarbons (PAHs) and PAHs embedded in boron nitride (h-BN) nanoribbons, using nonequilibrium Green's functions (NEGF) and density functional theory (DFT). In the PAH junctions, a Fano resonance line shape at the Fermi energy in the transport feature can be clearly seen. In hybrid junctions, structural asymmetries enable interactions between the electronic states, leading to observation of interface-based transport. Our findings reveal that the interface of PAH/h-BN strongly affects the transport properties of the structures.

Magnetism in Sc-doped ZnO with zinc vacancies: A hybrid density functional and GGA + U approaches

KAUST Repository

Kanoun, Mohammed; Goumri-Said, Souraya; Schwingenschlö gl, Udo; Manchon, Aurelien

2012-01-01

We investigate the zinc vacancy effects on the electronic structures and magnetic properties of Sc-doped ZnO, by performing first-principles calculations within both GGA + U and Heyd-Scuseria-Ernzerhof hybrid functional methods. We find that Sc impurities stabilize considerably Zn vacancies. The electronic and magnetic analysis shows a half metallic ferromagnetic character with a total magnetic moment of 2.01 μ B. The magnetism mainly stems from the O 2p states around the Zn vacancies. Calculations with the hybrid density functional agree with the GGA + U results but give an accurate description of the electronic structure for pure ZnO and Sc-doped ZnO with Zn vacancies. © 2012 Elsevier B.V. All rights reserved.

Magnetism in Sc-doped ZnO with zinc vacancies: A hybrid density functional and GGA + U approaches

KAUST Repository

Kanoun, Mohammed

2012-04-01

We investigate the zinc vacancy effects on the electronic structures and magnetic properties of Sc-doped ZnO, by performing first-principles calculations within both GGA + U and Heyd-Scuseria-Ernzerhof hybrid functional methods. We find that Sc impurities stabilize considerably Zn vacancies. The electronic and magnetic analysis shows a half metallic ferromagnetic character with a total magnetic moment of 2.01 μ B. The magnetism mainly stems from the O 2p states around the Zn vacancies. Calculations with the hybrid density functional agree with the GGA + U results but give an accurate description of the electronic structure for pure ZnO and Sc-doped ZnO with Zn vacancies. © 2012 Elsevier B.V. All rights reserved.

Functional PMS2 hybrid alleles containing a pseudogene-specific missense variant trace back to a single ancient intrachromosomal recombination event.

Science.gov (United States)

Ganster, Christina; Wernstedt, Annekatrin; Kehrer-Sawatzki, Hildegard; Messiaen, Ludwine; Schmidt, Konrad; Rahner, Nils; Heinimann, Karl; Fonatsch, Christa; Zschocke, Johannes; Wimmer, Katharina

2010-05-01

Sequence exchange between PMS2 and its pseudogene PMS2CL, embedded in an inverted duplication on chromosome 7p22, has been reported to be an ongoing process that leads to functional PMS2 hybrid alleles containing PMS2- and PMS2CL-specific sequence variants at the 5'-and the 3'-end, respectively. The frequency of PMS2 hybrid alleles, their biological significance, and the mechanisms underlying their formation are largely unknown. Here we show that overall hybrid alleles account for one-third of 384 PMS2 alleles analyzed in individuals of different ethnic backgrounds. Depending on the population, 14-60% of hybrid alleles carry PMS2CL-specific sequences in exons 13-15, the remainder only in exon 15. We show that exons 13-15 hybrid alleles, named H1 hybrid alleles, constitute different haplotypes but trace back to a single ancient intrachromosomal recombination event with crossover. Taking advantage of an ancestral sequence variant specific for all H1 alleles we developed a simple gDNA-based polymerase chain reaction (PCR) assay that can be used to identify H1-allele carriers with high sensitivity and specificity (100 and 99%, respectively). Because H1 hybrid alleles harbor missense variant p.N775S of so far unknown functional significance, we assessed the H1-carrier frequency in 164 colorectal cancer patients. So far, we found no indication that the variant plays a major role with regard to cancer susceptibility. (c) 2010 Wiley-Liss, Inc.

CD1d-unrestricted NKT cells are endowed with a hybrid function far superior than that of iNKT cells.

Science.gov (United States)

Farr, Alexander R; Wu, Weisheng; Choi, Bongkum; Cavalcoli, James D; Laouar, Yasmina

2014-09-02

Invariant natural killer T (iNKT) cells to date represent the best example of cells known to have a hybrid function, representing both innate and adaptive immunity. Shared phenotypic similarities with NK cells together with a rapid response to a cytokine stimulus and a productive TCR engagement are the features that underline the hybrid nature of iNKT cells. Using these criteria, we provide molecular and functional evidence demonstrating that CD1d-independent (CD1d(ind)) NKT cells, a population of CD1d-unrestricted NKT cells, are endowed with a hybrid function far superior to that of iNKT cells: (i) an extensive shared program with NK cells, (ii) a closer Euclidian distance with NK cells, and (iii) the ability to respond to innate stimuli (Poly:IC) with cytotoxic potential in the same manner as NK cells identify a hybrid feature in CD1d(ind)NKT cells that truly fulfills the dual function of an NK and a T cell. Our finding that CD1d(ind)NKT cells are programmed to act like NK cells in response to innate signals while being capable of adaptive responses is unprecedented, and thus might reemphasize CD1d-unrestricted NKT cells as a subset of lymphocytes that could affect biological processes of antimicrobial and tumor immunity in a unique way.

Exchange Rates’ Effect on Spot and Futures Equity Index Markets: A Study on Borsa Istanbul

Directory of Open Access Journals (Sweden)

Ayben Koy

2017-06-01

Full Text Available This paper examines the linkages between the foreign exchange rates, spot equity index and equity index futures. The study aims to investi-gate whether there is difference between the spot and futures markets in the scope of relation with the foreign exchange rates’ returns and which leads the other. The relationships are examined by using the vector autoregression (VAR model, impulse-response functions, variance decomposition and Granger Causality tests. The sample of the study consists of US dollar to Turkish Lira rate (USD/TRY, Euro to Turkish Lira rate (EUR/TRY, BIST 30 Index and BIST 30 Index Futures. The data of the study includes the period between January 2011 and December 2014 with daily data range. Our results have evidence that the foreign exchange rate markets in Turkey are driven by the equity market.

Preparation and toxicological assessment of functionalized carbon nanotube-polymer hybrids.

Directory of Open Access Journals (Sweden)

Nikos D Koromilas

Full Text Available Novel Carbon Nanotube-Polymer Hybrids were synthesized as potential materials for the development of membranes for water treatment applications in the field of Membrane Bioreactors (MBRs. Due to the toxicological concerns regarding the use of nanomaterials in water treatment as well as the rising demand for safe drinking water to protect public health, we studied the functionalization of MWCNTs and Thin-MWCNTs as to control their properties and increase their ability of embedment into porous anisotropic polymeric membranes. Following the growth of the hydrophilic monomer on the surface of the properly functionalized CNTs, that act as initiator for the controlled radical polymerization (ATRP of sodium styrene sulfonate (SSNa, the antimicrobial quaternized phosphonium and ammonium salts were attached on CNTs-g-PSSNa through non-covalent bonding. In another approach the covalent attachment of quaternized ammonium polymeric moieties of acrylic acid-vinyl benzyl chloride copolymers with N,N-dimethylhexadecylamine (P(AA12-co-VBCHAM on functionalized CNTs has also been attempted. Finally, the toxicological assessment in terms of cell viability and cell morphological changes revealed that surface characteristics play a major role in the biological response of functionalized CNTs.

A Numerical Method for Lane-Emden Equations Using Hybrid Functions and the Collocation Method

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Changqing Yang

2012-01-01

Full Text Available A numerical method to solve Lane-Emden equations as singular initial value problems is presented in this work. This method is based on the replacement of unknown functions through a truncated series of hybrid of block-pulse functions and Chebyshev polynomials. The collocation method transforms the differential equation into a system of algebraic equations. It also has application in a wide area of differential equations. Corresponding numerical examples are presented to demonstrate the accuracy of the proposed method.

Hybrid ICA-Seed-Based Methods for fMRI Functional Connectivity Assessment: A Feasibility Study

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Robert E. Kelly

2010-01-01

Full Text Available Brain functional connectivity (FC is often assessed from fMRI data using seed-based methods, such as those of detecting temporal correlation between a predefined region (seed and all other regions in the brain; or using multivariate methods, such as independent component analysis (ICA. ICA is a useful data-driven tool, but reproducibility issues complicate group inferences based on FC maps derived with ICA. These reproducibility issues can be circumvented with hybrid methods that use information from ICA-derived spatial maps as seeds to produce seed-based FC maps. We report results from five experiments to demonstrate the potential advantages of hybrid ICA-seed-based FC methods, comparing results from regressing fMRI data against task-related a priori time courses, with “back-reconstruction” from a group ICA, and with five hybrid ICA-seed-based FC methods: ROI-based with (1 single-voxel, (2 few-voxel, and (3 many-voxel seed; and dual-regression-based with (4 single ICA map and (5 multiple ICA map seed.

DEVELOPMENT OF TOMATO HYBRIDS BASED ON FEMALE PARENTS FORMS WITH FUNCTIONAL MALE STERILITY

Directory of Open Access Journals (Sweden)

I. V. Uzun

2016-01-01

Full Text Available The rate of variability of functional male sterility (ps–2 depending on year of study, genotype and age of the plant is shown. The efficiency of the method of forced ejection of pollen from intact anthers to increase the degree of sterility is shown. The five tomato hybrids developed based on selected lines were submitted for the state variety trial of Moldova.

Electronic structure modeling of InAs/GaSb superlattices with hybrid density functional theory

Energy Technology Data Exchange (ETDEWEB)

Garwood, Tristan [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials; Modine, Normand A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Krishna, S. [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials

2016-12-18

The application of first-principles calculations holds promise for greatly improving our understanding of semiconductor superlattices. By developing a procedure to accurately predict band gaps using hybrid density functional theory, it lays the groundwork for future studies investigating more nuanced properties of these structures. Our approach allows a priori prediction of the properties of SLS structures using only the band gaps of the constituent materials. Furthermore, it should enable direct investigation of the effects of interface structure, e.g., intermixing or ordering at the interface, on SLS properties. In this paper, we present band gap data for various InAs/GaSb type-II superlattice structures calculated using the generalized Kohn-Sham formulation of density functional theory. A PBE0-type hybrid functional was used, and the portion of the exact exchange was tuned to fit the band gaps of the binary compounds InAs and GaSb with the best agreement to bulk experimental values obtained with 18% of the exact exchange. The heterostructures considered in this study are 6 monolayer (ML) InAs/6 ML GaSb, 8 ML InAs/8 ML GaSb and 10 ML InAs/10 ML GaSb with deviations from the experimental band gaps ranging from 3% to 11%.

Hybrid platform. Economical hybrid drive for commercial vehicles; Hybrid Plattform. Wirtschaftlicher Hybridantrieb fuer Nutzfahrzeuge

Energy Technology Data Exchange (ETDEWEB)

Wallner, S.; Lamke, M.; Mohr, M.; Sedlacek, M.; Speck, F.D. [ZF Friedrichshafen AG, Friedrichshafen (Germany)

2011-07-01

Up to now, hybrid systems have been adapted to their specific requirements in the various applications for trucks, buses as well as mobile and building machines. From a technical point of view, this does indeed result in optimized hybrid drives for each single vehicle application, but due to small volumes, such single developments are critical from a business point of view. ZF Friedrichshafen AG is providing a solution to the technical and economical requirements of the cost-sensitive CV segment in the form of a modular CV parallel hybrid platform composed of a hybrid module system, an inverter, a battery system, and a hybrid software integrated into the overall vehicle. Thanks to the intelligent combination of assemblies and the use of as many identical parts as possible, platforms are realized which cover power ranges between 60 and 120 kW, voltage ranges between 350 and 650 V, and battery capacities between 2 and 4 kWh. The dimensions of the platform elements are such that integration into the diverse commercial vehicle applications is made easy. The hybrid software required for the vehicle-specific functions is also configurable for the mentioned CV applications. (orig.)

A new hybrid genetic algorithm for optimizing the single and multivariate objective functions

Energy Technology Data Exchange (ETDEWEB)

Tumuluru, Jaya Shankar [Idaho National Laboratory; McCulloch, Richard Chet James [Idaho National Laboratory

2015-07-01

In this work a new hybrid genetic algorithm was developed which combines a rudimentary adaptive steepest ascent hill climbing algorithm with a sophisticated evolutionary algorithm in order to optimize complex multivariate design problems. By combining a highly stochastic algorithm (evolutionary) with a simple deterministic optimization algorithm (adaptive steepest ascent) computational resources are conserved and the solution converges rapidly when compared to either algorithm alone. In genetic algorithms natural selection is mimicked by random events such as breeding and mutation. In the adaptive steepest ascent algorithm each variable is perturbed by a small amount and the variable that caused the most improvement is incremented by a small step. If the direction of most benefit is exactly opposite of the previous direction with the most benefit then the step size is reduced by a factor of 2, thus the step size adapts to the terrain. A graphical user interface was created in MATLAB to provide an interface between the hybrid genetic algorithm and the user. Additional features such as bounding the solution space and weighting the objective functions individually are also built into the interface. The algorithm developed was tested to optimize the functions developed for a wood pelleting process. Using process variables (such as feedstock moisture content, die speed, and preheating temperature) pellet properties were appropriately optimized. Specifically, variables were found which maximized unit density, bulk density, tapped density, and durability while minimizing pellet moisture content and specific energy consumption. The time and computational resources required for the optimization were dramatically decreased using the hybrid genetic algorithm when compared to MATLAB's native evolutionary optimization tool.

Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

KAUST Repository

Salawu, Omotayo Akande

2016-09-29

Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

KAUST Repository

Salawu, Omotayo Akande; Chroneos, Alexander; Vasilopoulou, Maria; Kennou, Stella; Schwingenschlö gl, Udo

2016-01-01

Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

A Hybrid Imperative and Functional Molecular Mechanics Application

Directory of Open Access Journals (Sweden)

Thomas Deboni

1996-01-01

Full Text Available Molecular mechanics applications model the interactions among large ensembles of discrete particles. They are used where probabilistic methods are inadequate, such as drug chemistry. This methodology is difficult to parallelize with good performance, due to its poor locality, uneven partitions, and dynamic behavior. Imperative programs have been written that attempt this on shared and distributed memory machines. Given such a program, the computational kernel can be rewritten in Sisal, a functional programming language, and integrated with the rest of the imperative program under the Sisal Foreign Language Interface. This allows minimal effort and maximal return from parallelization work, and leaves the work appropriate to imperative implementation in its original form. We describe such an effort, focusing on the parts of the application that are appropriate for Sisal implementation, the specifics of mixed-language programming, and the complex performance behavior of the resulting hybrid code.

Horseradish peroxidase-nanoclay hybrid particles of high functional and colloidal stability.

Science.gov (United States)

Pavlovic, Marko; Rouster, Paul; Somosi, Zoltan; Szilagyi, Istvan

2018-08-15

Highly stable dispersions of enzyme-clay nanohybrids of excellent horseradish peroxidase activity were developed. Layered double hydroxide nanoclay was synthesized and functionalized with heparin polyelectrolyte to immobilize the horseradish peroxidase enzyme. The formation of a saturated heparin layer on the platelets led to charge inversion of the positively charged bare nanoclay and to highly stable aqueous dispersions. Great affinity of the enzyme to the surface modified platelets resulted in strong horseradish peroxidase adsorption through electrostatic and hydrophobic interactions as well as hydrogen bonding network and prevented enzyme leakage from the obtained material. The enzyme kept its functional integrity upon immobilization and showed excellent activity in decomposition of hydrogen peroxide and oxidation of an aromatic compound in the test reactions. In addition, remarkable long term functional stability of the enzyme-nanoclay hybrid was observed making the developed colloidal system a promising antioxidant candidate in biomedical treatments and industrial processes. Copyright © 2018 Elsevier Inc. All rights reserved.

Electrochemically Functionalized Seamless Three-Dimensional Graphene-Carbon Nanotube Hybrid for Direct Electron Transfer of Glucose Oxidase and Bioelectrocatalysis.

Science.gov (United States)

Terse-Thakoor, Trupti; Komori, Kikuo; Ramnani, Pankaj; Lee, Ilkeun; Mulchandani, Ashok

2015-12-01

Three-dimensional seamless chemical vapor deposition (CVD) grown graphene-carbon nanotubes (G-CNT) hybrid film has been studied for its potential in achieving direct electron transfer (DET) of glucose oxidase (GOx) and its bioelectrocatalytic activity in glucose detection. A two-step CVD method was employed for the synthesis of seamless G-CNT hybrid film where CNTs are grown on already grown graphene film on copper foil using iron as a catalyst. Physical characterization using SEM and TEM show uniform dense coverage of multiwall carbon nanotubes (MWCNT) grown directly on graphene with seamless contacts. The G-CNT hybrid film was electrochemically modified to introduce oxygenated functional groups for DET favorable immobilization of GOx. Pristine and electrochemically functionalized G-CNT film was characterized by electrochemical impedance spectroscopy (EIS), cyclic voltammetry, X-ray photoelectron-spectroscopy, and Raman spectroscopy. The DET between GOx and electrochemically oxidized G-CNT electrode was studied using cyclic voltammetry which showed a pair of well-defined and quasi-reversible redox peaks with a formal potential of -459 mV at pH 7 corresponding to the redox site of GOx. The constructed electrode detected glucose concentration over the clinically relevant range of 2-8 mM with the highest sensitivity of 19.31 μA/mM/cm(2) compared to reported composite hybrid electrodes of graphene oxide and CNTs. Electrochemically functionalized CVD grown seamless G-CNT structure used in this work has potential to be used for development of artificial mediatorless redox enzyme based biosensors and biofuel cells.

Novel nuclear localization and potential function of insulin-like growth factor-1 receptor/insulin receptor hybrid in corneal epithelial cells.

Directory of Open Access Journals (Sweden)

Yu-Chieh Wu

Full Text Available BACKGROUND: Type I insulin-like growth factor receptor (IGF-1R and insulin receptor (INSR are highly homologous molecules, which can heterodimerize to form an IGF-1R/INSR hybrid (Hybrid-R. The presence and biological significance of the Hybrid-R in human corneal epithelium has not yet been established. In addition, while nuclear localization of IGF-1R was recently reported in cancer cells and human corneal epithelial cells, the function and profile of nuclear IGF-1R is unknown. In this study, we characterized the nuclear localization and function of the Hybrid-R and the role of IGF-1/IGF-1R and Hybrid-R signaling in the human corneal epithelium. METHODOLOGY/PRINCIPLE FINDINGS: IGF-1-mediated signaling and cell growth were examined in a human telomerized corneal epithelial (hTCEpi cell line using co-immunoprecipitation, immunoblotting and cell proliferation assays. The presence of Hybrid-R in hTCEpi and primary cultured human corneal epithelial cells was confirmed by immunofluorescence and reciprocal immunoprecipitation of whole cell lysates. We found that IGF-1 stimulated Akt and promoted cell growth through IGF-1R activation, which was independent of the Hybrid-R. The presence of Hybrid-R, but not IGF-1R/IGF-1R, was detected in nuclear extracts. Knockdown of INSR by small interfering RNA resulted in depletion of the INSR/INSR and preferential formation of Hybrid-R. Chromatin-immunoprecipitation sequencing assay with anti-IGF-1R or anti-INSR was subsequently performed to identify potential genomic targets responsible for critical homeostatic regulatory pathways. CONCLUSION/SIGNIFICANCE: In contrast to previous reports on nuclear localized IGF-1R, this is the first report identifying the nuclear localization of Hybrid-R in an epithelial cell line. The identification of a nuclear Hybrid-R and novel genomic targets suggests that IGF-1R traffics to the nucleus as an IGF-1R/INSR heterotetrameric complex to regulate corneal epithelial homeostatic

Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional.

Science.gov (United States)

Agrawal, Piyush; Tkatchenko, Alexandre; Kronik, Leeor

2013-08-13

We propose a nonempirical, pair-wise or many-body dispersion-corrected, optimally tuned range-separated hybrid functional. This functional retains the advantages of the optimal-tuning approach in the prediction of the electronic structure. At the same time, it gains accuracy in the prediction of binding energies for dispersively bound systems, as demonstrated on the S22 and S66 benchmark sets of weakly bound dimers.

Fine-scale genetic mapping of a hybrid sterility factor between Drosophila simulans and D. mauritiana: the varied and elusive functions of "speciation genes".

Science.gov (United States)

Araripe, Luciana O; Montenegro, Horácio; Lemos, Bernardo; Hartl, Daniel L

2010-12-14

Hybrid male sterility (HMS) is a usual outcome of hybridization between closely related animal species. It arises because interactions between alleles that are functional within one species may be disrupted in hybrids. The identification of genes leading to hybrid sterility is of great interest for understanding the evolutionary process of speciation. In the current work we used marked P-element insertions as dominant markers to efficiently locate one genetic factor causing a severe reduction in fertility in hybrid males of Drosophila simulans and D. mauritiana. Our mapping effort identified a region of 9 kb on chromosome 3, containing three complete and one partial coding sequences. Within this region, two annotated genes are suggested as candidates for the HMS factor, based on the comparative molecular characterization and public-source information. Gene Taf1 is partially contained in the region, but yet shows high polymorphism with four fixed non-synonymous substitutions between the two species. Its molecular functions involve sequence-specific DNA binding and transcription factor activity. Gene agt is a small, intronless gene, whose molecular function is annotated as methylated-DNA-protein-cysteine S-methyltransferase activity. High polymorphism and one fixed non-synonymous substitution suggest this is a fast evolving gene. The gene trees of both genes perfectly separate D. simulans and D. mauritiana into monophyletic groups. Analysis of gene expression using microarray revealed trends that were similar to those previously found in comparisons between whole-genome hybrids and parental species. The identification following confirmation of the HMS candidate gene will add another case study leading to understanding the evolutionary process of hybrid incompatibility.

Influence of Stress Shape Function on Analysis of Contact Problem Using Hybrid Photoelasticity

International Nuclear Information System (INIS)

Shin, Dongchul; Hawong, Jaisug

2013-01-01

In this research, a study on stress shape functions was conducted to analyze the contact stress problem by using a hybrid photoelasticity. Because the contact stress problem is generally solved as a half-plane problem, the relationship between two analytical stress functions, which are compositions of the Airy stress function, was similar to one of the crack problem. However, this relationship in itself could not be used to solve the contact stress problem (especially one with singular points). Therefore, to analyze the contact stress problem more correctly, stress shape functions based on the condition of two contact end points had to be considered in the form of these two analytical stress functions. The four types of stress shape functions were related to the stress singularities at the two contact end points. Among them, the primary two types used for the analysis of an O-ring were selected, and their validities were verified in this work

Electronic properties of B and Al doped graphane: A hybrid density functional study

Science.gov (United States)

Mapasha, R. E.; Igumbor, E.; Andriambelaza, N. F.; Chetty, N.

2018-04-01

Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

Metal-insulator transition at the LaAlO3/SrTiO3 interface revisited: A hybrid functional study

KAUST Repository

Cossu, Fabrizio; Eyert, V.; Schwingenschlö gl, Udo

2013-01-01

We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid

Electronic properties of CdWO{sub 4}: Use of hybrid exchange and correlation functionals

Energy Technology Data Exchange (ETDEWEB)

Meena, B. S., E-mail: bsmphysics@gmail.com; Mund, H. S.; Ahuja, B. L. [Department of Physics, University College of Science, M. L. Sukhadia University, Udaipur-313001 (India); Heda, N. L. [Department of Pure and Applied Physics, University of Kota, Kota-324010 (India)

2016-05-23

Energy bands, density of states (DOS), Mulliken population (MP) and electron momentum densities (EMDs) of CdWO{sub 4} are presented using hybrid exchange and correlation functionals namely B3LYP, B3PW and PBE0. To validate the present hybrid potentials, theoretical EMDs have been compared with the experimental Compton profile. It is found that LCAO-B3LYP based Compton profile gives a better agreement with experiment than other theoretical profiles. The energy bands and DOS show a wide band gap semiconducting nature of CdWO{sub 4}. The theoretical band gap obtained using B3LYP scheme reconciles well with the available experimental data. In addition, we have also presented the anisotropies in EMDs along [100], [110] and [001] directions and the bonding effects using the MP data.

Organic electronic materials: Recent advances in the dft description of the ground and excited states using tuned range-separated hybrid functionals

KAUST Repository

Körzdörfer, Thomas

2014-11-18

Density functional theory (DFT) and its time-dependent extension (TD-DFT) are powerful tools enabling the theoretical prediction of the ground- and excited-state properties of organic electronic materials with reasonable accuracy at affordable computational costs. Due to their excellent accuracy-to-numerical-costs ratio, semilocal and global hybrid functionals such as B3LYP have become the workhorse for geometry optimizations and the prediction of vibrational spectra in modern theoretical organic chemistry. Despite the overwhelming success of these out-of-the-box functionals for such applications, the computational treatment of electronic and structural properties that are of particular interest in organic electronic materials sometimes reveals severe and qualitative failures of such functionals. Important examples include the overestimation of conjugation, torsional barriers, and electronic coupling as well as the underestimation of bond-length alternations or excited-state energies in low-band-gap polymers.In this Account, we highlight how these failures can be traced back to the delocalization error inherent to semilocal and global hybrid functionals, which leads to the spurious delocalization of electron densities and an overestimation of conjugation. The delocalization error for systems and functionals of interest can be quantified by allowing for fractional occupation of the highest occupied molecular orbital. It can be minimized by using long-range corrected hybrid functionals and a nonempirical tuning procedure for the range-separation parameter.We then review the benefits and drawbacks of using tuned long-range corrected hybrid functionals for the description of the ground and excited states of π-conjugated systems. In particular, we show that this approach provides for robust and efficient means of characterizing the electronic couplings in organic mixed-valence systems, for the calculation of accurate torsional barriers at the polymer limit, and for the

Fine-scale genetic mapping of a hybrid sterility factor between Drosophila simulans and D. mauritiana: the varied and elusive functions of "speciation genes"

Directory of Open Access Journals (Sweden)

Lemos Bernardo

2010-12-01

Full Text Available Abstract Background Hybrid male sterility (HMS is a usual outcome of hybridization between closely related animal species. It arises because interactions between alleles that are functional within one species may be disrupted in hybrids. The identification of genes leading to hybrid sterility is of great interest for understanding the evolutionary process of speciation. In the current work we used marked P-element insertions as dominant markers to efficiently locate one genetic factor causing a severe reduction in fertility in hybrid males of Drosophila simulans and D. mauritiana. Results Our mapping effort identified a region of 9 kb on chromosome 3, containing three complete and one partial coding sequences. Within this region, two annotated genes are suggested as candidates for the HMS factor, based on the comparative molecular characterization and public-source information. Gene Taf1 is partially contained in the region, but yet shows high polymorphism with four fixed non-synonymous substitutions between the two species. Its molecular functions involve sequence-specific DNA binding and transcription factor activity. Gene agt is a small, intronless gene, whose molecular function is annotated as methylated-DNA-protein-cysteine S-methyltransferase activity. High polymorphism and one fixed non-synonymous substitution suggest this is a fast evolving gene. The gene trees of both genes perfectly separate D. simulans and D. mauritiana into monophyletic groups. Analysis of gene expression using microarray revealed trends that were similar to those previously found in comparisons between whole-genome hybrids and parental species. Conclusions The identification following confirmation of the HMS candidate gene will add another case study leading to understanding the evolutionary process of hybrid incompatibility.

Output Tracking Control of Switched Hybrid Systems: A Fliess Functional Expansion Approach

Directory of Open Access Journals (Sweden)

Fenghua He

2013-01-01

Full Text Available The output tracking problem is investigated for a nonlinear affine system with multiple modes of continuous control inputs. We convert the family of nonlinear affine systems under consideration into a switched hybrid system by introducing a multiple-valued logic variable. The Fliess functional expansion is adopted to express the input and output relationship of the switched hybrid system. The optimal switching control is determined for a multiple-step output tracking performance index. The proposed approach is applied to a multitarget tracking problem for a flight vehicle aiming for one real target with several decoys flying around it in the terminal guidance course. These decoys appear as apparent targets and have to be distinguished with the approaching of the flight vehicle. The guidance problem of one flight vehicle versus multiple apparent targets should be considered if no large miss distance might be caused due to the limitation of the flight vehicle maneuverability. The target orientation at each time interval is determined. Simulation results show the effectiveness of the proposed method.

Near infrared optical biosensor based on peptide functionalized single-walled carbon nanotubes hybrids for 2,4,6-trinitrotoluene (TNT) explosive detection.

Science.gov (United States)

Wang, Jin

2018-06-01

A near infrared (NIR) optical biosensor based on peptide functionalized single-walled carbon nanotubes (SWCNTs) hybrids for 2,4,6-trinitrotoluene (TNT) explosive detection was developed. The TNT binding peptide was directly anchored on the sidewall of the SWCNTs using the π-π interaction between the aromatic amino acids and SWCNTs, forming the peptide-SWCNTs hybrids for near infrared absorption spectra measurement. The evidence of the morphology of peptide-SWCNTs hybrids was obtained using atomic force microscopy (AFM). The results demonstrated that peptide-SWCNTs hybrids based NIR optical biosensor exhibited sensitive and highly selective for TNT explosive determination, addressing a promising optical biosensor for security application. Copyright © 2018. Published by Elsevier Inc.

The screening effects of the screened exchange hybrid functional in surface systems: A case study on the CO/Pt(111) problem

Energy Technology Data Exchange (ETDEWEB)

Li, H., E-mail: li-huanglong@mail.tsinghua.edu.cn [Department of Precision Instrument, Tsinghua University, Beijing, 100084 (China); Gillen, R. [Institut für Festkörperphysik. Technische Universität Berlin. Hardenbergstr. 36, 10623 Berlin (Germany); Robertson, J., E-mail: jr214@cam.ac.uk [Engineering Department, University of Cambridge, Cambridge CB2 1PZ (United Kingdom)

2016-06-15

The screened exchange (sX) hybrid functional has been widely used in computational material science. Although it has widely been studied in bulk systems, less is known about its functional behavior in surface systems which are crucial to many technologies such as materials synthesis and nano-electronic devices. Assessing the screening dependent functional behaviors in the surface systems is therefore important for its application in such systems. In this work, we investigate the screening effects of the sX in CO adsorption on Pt(111) surface. The differences between the sX and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functionals, and the effects of screening parameters are studied. The screening has two effects: first, the HOMO-LUMO gap is screening dependent. This affects the site preference most significantly. In this work, atop adsorption of CO/Pt(111) is predicted by the hybrid functionals with screened exchange potential. The sX(1.44) gives the largest HOMO-LUMO gap for the isolated CO molecule. The adsorption energy difference between the atop and fcc site is also the largest by the sX(1.44) which is explained by the reduced metal d states to the CO 2π* state back-donation, with stronger effect for the fcc adsorption than for the atop adsorption; second, the adsorption energy is screening dependent. This can be seen by comparing the sX(2.38) and HSE06 which have different screening strengths. They show similar surface band structures for the CO adsorption but different adsorption energies, which is explained by the stronger CO 5σ state to the metal d states donation or the effectively screened Pauli repulsion. This work underlines the screening strength as a main difference between sX and HSE06, as well as an important hybrid functional parameter for surface calculation.

Course on hybrid calculation

International Nuclear Information System (INIS)

Weill, J.; Tellier; Bonnemay; Craigne; Chareton; Di Falco

1969-02-01

After a definition of hybrid calculation (combination of analogue and digital calculation) with a distinction between series and parallel hybrid computing, and a description of a hybrid computer structure and of task sharing between computers, this course proposes a description of hybrid hardware used in Saclay and Cadarache computing centres, and of operations performed by these systems. The next part addresses issues related to programming languages and software. The fourth part describes how a problem is organised for its processing on these computers. Methods of hybrid analysis are then addressed: resolution of optimisation problems, of partial differential equations, and of integral equations by means of different methods (gradient, maximum principle, characteristics, functional approximation, time slicing, Monte Carlo, Neumann iteration, Fischer iteration)

Hybrid online sensor error detection and functional redundancy for systems with time-varying parameters.

Science.gov (United States)

Feng, Jianyuan; Turksoy, Kamuran; Samadi, Sediqeh; Hajizadeh, Iman; Littlejohn, Elizabeth; Cinar, Ali

2017-12-01

Supervision and control systems rely on signals from sensors to receive information to monitor the operation of a system and adjust manipulated variables to achieve the control objective. However, sensor performance is often limited by their working conditions and sensors may also be subjected to interference by other devices. Many different types of sensor errors such as outliers, missing values, drifts and corruption with noise may occur during process operation. A hybrid online sensor error detection and functional redundancy system is developed to detect errors in online signals, and replace erroneous or missing values detected with model-based estimates. The proposed hybrid system relies on two techniques, an outlier-robust Kalman filter (ORKF) and a locally-weighted partial least squares (LW-PLS) regression model, which leverage the advantages of automatic measurement error elimination with ORKF and data-driven prediction with LW-PLS. The system includes a nominal angle analysis (NAA) method to distinguish between signal faults and large changes in sensor values caused by real dynamic changes in process operation. The performance of the system is illustrated with clinical data continuous glucose monitoring (CGM) sensors from people with type 1 diabetes. More than 50,000 CGM sensor errors were added to original CGM signals from 25 clinical experiments, then the performance of error detection and functional redundancy algorithms were analyzed. The results indicate that the proposed system can successfully detect most of the erroneous signals and substitute them with reasonable estimated values computed by functional redundancy system.

Covalent immobilization of lipase onto chitosan-mesoporous silica hybrid nanomaterials by carboxyl functionalized ionic liquids as the coupling agent.

Science.gov (United States)

Xiang, Xinran; Suo, Hongbo; Xu, Chao; Hu, Yi

2018-05-01

Chitosan-mesoporous silica SBA-15 hybrid nanomaterials (CTS-SBA-15) were synthesized by means of carboxyl functionalized ionic liquids as the coupling agent. The as-prepared CTS-SBA-15 support was characterized by TEM, FTIR, TG and nitrogen adsorption-desorption techniques. Porcine pancreas lipase (PPL) was then bound to the hybrid nanomaterials by using the cross-linking reagent glutaraldehyde (GA). Further, the parameters like cross-linking concentration, time and ratio of supports to enzyme were optimized. The property of immobilized lipase were tested in detail by enzyme activity assays. The results indicated that the hybrid nanomaterials could form three-dimensional (3D) structure with homogeneous mesoporous structures and immobilized PPL revealed excellent enzymatic performance. Copyright © 2018 Elsevier B.V. All rights reserved.

A PDMS/paper/glass hybrid microfluidic biochip integrated with aptamer-functionalized graphene oxide nano-biosensors for one-step multiplexed pathogen detection

OpenAIRE

Zuo, Peng; Li, XiuJun; Dominguez, Delfina C.; Ye, Bang-Ce

2013-01-01

Infectious pathogens often cause serious public health concerns throughout the world. There is an increasing demand for simple, rapid and sensitive approaches for multiplexed pathogen detection. In this paper we have developed a polydimethylsiloxane (PDMS)/paper/glass hybrid microfluidic system integrated with aptamer-functionalized graphene oxide (GO) nano-biosensors for simple, one-step, multiplexed pathogen detection. The paper substrate used in this hybrid microfluidic system facilitated ...

Programmable release of multiple protein drugs from aptamer-functionalized hydrogels via nucleic acid hybridization.

Science.gov (United States)

Battig, Mark R; Soontornworajit, Boonchoy; Wang, Yong

2012-08-01

Polymeric delivery systems have been extensively studied to achieve localized and controlled release of protein drugs. However, it is still challenging to control the release of multiple protein drugs in distinct stages according to the progress of disease or treatment. This study successfully demonstrates that multiple protein drugs can be released from aptamer-functionalized hydrogels with adjustable release rates at predetermined time points using complementary sequences (CSs) as biomolecular triggers. Because both aptamer-protein interactions and aptamer-CS hybridization are sequence-specific, aptamer-functionalized hydrogels constitute a promising polymeric delivery system for the programmable release of multiple protein drugs to treat complex human diseases.

Activation analysis and waste management for blanket materials of multi-functional experimental fusion–fission hybrid reactor (FDS-MFX)

International Nuclear Information System (INIS)

Jiang, Jieqiong; Yuan, Baoxin; Zou, Jun; Wu, Yican

2014-01-01

The preliminary studies of the activation analysis and waste management for blanket materials of the multi-functional experimental fusion–fission hybrid reactor, i.e. Multi-Functional eXperimental Fusion Driven Subcritical system named FDS-MFX, were performed. The neutron flux of the FDS-MFX blanket was calculated using VisualBUS code and Hybrid Evaluated Nuclear Data Library (HENDL) developed by FDS Team. Based on these calculated neutron fluxes, the activation properties of blanket materials were analyzed by the induced radioactivity, the decay heat and the contact dose rate for different regions of the FDS-MFX blanket. The safety and environment assessment of fusion power (SEAFP) strategy, which was developed in Europe, was applied to FDS-MFX blanket for the management of activated materials. Accordingly, the classification and management strategy of activated materials after different cooling time were proposed for FDS-MFX blanket

Pseudocapacitive organic catechol derivative-functionalized three-dimensional graphene aerogel hybrid electrodes for high-performance supercapacitors

Science.gov (United States)

Choi, Jaewon; Yang, MinHo; Kim, Sung-Kon

2017-11-01

Bio-inspired and environmentally friendly chemical functionalization is a successful way to a new class of hybrid electrode materials for applications in energy storage. Quinone (Q)-hydroquinone (QH2) couples, a prototypical example of organic redox systems, provide fast and reversible proton-coupled electron-transfer reactions which lead to increased capacity. To achieve high capacitance and rate performance, constructing three-dimensional (3D) continuous porous structure is highly desirable. Here we report the hybrid electrodes (GA-C) consisting of 3D graphene aerogel (GA) functionalized with organic redox-active material, catechol derivative, for application to high-performance supercapacitors. The catechol derivative is adsorbed on the surface of GA through non-covalent interactions and promotes fast and reversible Q/QH2 faradaic reactions, providing large specific capacitance of 188 F g-1 at a current of 1 A g-1 and a specific energy of ∼25 Wh kg-1 at a specific power of ∼18,000 W kg-1. 3D continuous porous structure of GA electrode facilitates ion and electron transports, resulting in high rate performance (∼140 F g-1 at a current of 10 A g-1).

General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory.

Science.gov (United States)

Roch, Loïc M; Baldridge, Kim K

2017-10-04

A general optimization procedure towards the development and implementation of a new family of minimal parameter spin-component-scaled double-hybrid (mSD) density functional theory (DFT) is presented. The nature of the proposed exchange-correlation functional establishes a methodology with minimal empiricism. This new family of double-hybrid (DH) density functionals is demonstrated using the PBEPBE functional, illustrating the optimization procedure to the mSD-PBEPBE method, and the performance characteristics shown for a set of non-covalent complexes covering a broad regime of weak interactions. With only two parameters, mSD-PBEPBE and its cost-effective counterpart, RI-mSD-PBEPBE, show a mean absolute error of ca. 0.4 kcal mol -1 averaged over 66 weak interacting systems. Following a successive 2D-grid refinement for a CBS extrapolation of the coefficients, the optimization procedure can be recommended for the design and implementation of a variety of additional DH methods using any of the plethora of currently available functionals.

Hybrid Density Functional Study of the Local Structures and Energy Levels of CaAl2O4:Ce3.

Science.gov (United States)

Lou, Bibo; Jing, Weiguo; Lou, Liren; Zhang, Yongfan; Yin, Min; Duan, Chang-Kui

2018-05-03

First-principles calculations were carried out for the electronic structures of Ce 3+ in calcium aluminate phosphors, CaAl 2 O 4 , and their effects on luminescence properties. Hybrid density functional approaches were used to overcome the well-known underestimation of band gaps of conventional density functional approaches and to calculate the energy levels of Ce 3+ ions more accurately. The obtained 4f-5d excitation and emission energies show good consistency with measured values. A detailed energy diagram of all three sites is obtained, which explains qualitatively all of the luminescent phenomena. With the results of energy levels calculated by combining the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE06) and the constraint occupancy approach, we are able to construct a configurational coordinate diagram to analyze the processes of capture of a hole or an electron and luminescence. This approach can be applied for systematic high-throughput calculations in predicting Ce 3+ activated luminescent materials with a moderate computing requirement.

Expressed sequence tag analysis of functional genes associated with adventitious rooting in Liriodendron hybrids.

Science.gov (United States)

Zhong, Y D; Sun, X Y; Liu, E Y; Li, Y Q; Gao, Z; Yu, F X

2016-06-24

Liriodendron hybrids (Liriodendron chinense x L. tulipifera) are important landscaping and afforestation hardwood trees. To date, little genomic research on adventitious rooting has been reported in these hybrids, as well as in the genus Liriodendron. In the present study, we used adventitious roots to construct the first cDNA library for Liriodendron hybrids. A total of 5176 expressed sequence tags (ESTs) were generated and clustered into 2921 unigenes. Among these unigenes, 2547 had significant homology to the non-redundant protein database representing a wide variety of putative functions. Homologs of these genes regulated many aspects of adventitious rooting, including those for auxin signal transduction and root hair development. Results of quantitative real-time polymerase chain reaction showed that AUX1, IRE, and FB1 were highly expressed in adventitious roots and the expression of AUX1, ARF1, NAC1, RHD1, and IRE increased during the development of adventitious roots. Additionally, 181 simple sequence repeats were identified from 166 ESTs and more than 91.16% of these were dinucleotide and trinucleotide repeats. To the best of our knowledge, the present study reports the identification of the genes associated with adventitious rooting in the genus Liriodendron for the first time and provides a valuable resource for future genomic studies. Expression analysis of selected genes could allow us to identify regulatory genes that may be essential for adventitious rooting.

G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

KAUST Repository

Wang, H.

2014-05-13

Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.

Behavioural and spermatogenic hybrid male breakdown in Nasonia

Science.gov (United States)

Clark, Michael E.; O’Hara, F. Patrick; Chawla, Ankur; Werren, John H.

2010-01-01

Several reproductive barriers exists within the Nasonia species complex, including allopatry, premating behavioural isolation, postzygotic inviability and Wolbachia-induced cytoplasmic incompatibility. Here we show that hybrid males suffer two additional reproductive disadvantages, an inability to properly court females and decreased sperm production. Hybrid behavioural sterility, characterized by a reduced ability of hybrids to perform necessary courtship behaviours, occurs in hybrids between two species of Nasonia. Hybrid males produced in crosses between N. vitripennis and N. giraulti courted females at a reduced frequency (23-69%), compared to wild-type N. vitripennis and N. giraulti males (>93%). Reduced courtship frequency was not a simple function of inactivity among hybrids. A strong effect of cytoplasmic (mitochondrial) background was also found in N. vitripennis and N. giraulti crosses; F2 hybrids with giraulti cytoplasm showing reduced ability at most stages of courtship. Hybrids produced between a younger species pair, N. giraulti and N. longicornis, were behaviourally fertile. All males possessed motile sperm, but sperm production is greatly reduced in hybrids between the older species pair, N. vitripennis and N. giraulti. This effect on hybrid males, lowered sperm counts rather than non-functional sperm, is different from most described cases of hybrid male sterility and may represent an earlier stage of hybrid sperm breakdown. The results add to previous studies of F2 hybrid inviability and behavioural sterility, and indicated that Wolbachia induced hybrid incompatibility has arisen early in species divergence, relative to behavioural sterility and spermatogenic infertility. PMID:20087395

Epitaxial growth of hybrid nanostructures

Science.gov (United States)

Tan, Chaoliang; Chen, Junze; Wu, Xue-Jun; Zhang, Hua

2018-02-01

Hybrid nanostructures are a class of materials that are typically composed of two or more different components, in which each component has at least one dimension on the nanoscale. The rational design and controlled synthesis of hybrid nanostructures are of great importance in enabling the fine tuning of their properties and functions. Epitaxial growth is a promising approach to the controlled synthesis of hybrid nanostructures with desired structures, crystal phases, exposed facets and/or interfaces. This Review provides a critical summary of the state of the art in the field of epitaxial growth of hybrid nanostructures. We discuss the historical development, architectures and compositions, epitaxy methods, characterization techniques and advantages of epitaxial hybrid nanostructures. Finally, we provide insight into future research directions in this area, which include the epitaxial growth of hybrid nanostructures from a wider range of materials, the study of the underlying mechanism and determining the role of epitaxial growth in influencing the properties and application performance of hybrid nanostructures.

Algorithmic and high-frequency trading in Borsa Istanbul

Directory of Open Access Journals (Sweden)

Oguz Ersan

2016-12-01

Full Text Available This paper investigates the levels of algorithmic trading (AT and high-frequency trading (HFT in an emerging market, Borsa Istanbul (BIST, utilizing a dataset of 354 trading days between January 2013 and May 2014. We find an upward trend in AT by using common proxies: number of messages per minute and algo_trad of Hendershott et al. (2011. Mean algo_trad for BIST 100 index constituents varies between −18 and −13 which is parallel to 2003–2005 levels of NASDAQ large cap stocks. Initially, we measure HFT involvement by detecting linked messages as in the way proposed in Hasbrouck and Saar (2013. Next, we propose an extended HFT measure which captures various HFT strategies. This measure attributes approximately 6% of the orders to HFT. HFT involvement is higher in large orders (11.96%, in orders submitted by portfolio/fund management firms (10.40%, after improvement of BIST's order submission platform and tick size reduction for certain stocks.

An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

Science.gov (United States)

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

2017-10-30

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Towards the development of a novel bioinspired functional material: synthesis and characterization of hybrid TiO2/DHICA-melanin nanoparticles.

Science.gov (United States)

Pezzella, Alessandro; Capelli, Luigia; Costantini, Aniello; Luciani, Giuseppina; Tescione, Fabiana; Silvestri, Brigida; Vitiello, Giuseppe; Branda, Francesco

2013-01-01

A large number of recent literature data focus on modification/modulation of surface chemistry of inorganic materials in order to improve their functional properties. Melanins, a wide class of natural pigments, are recently emerging as a powerful organic component for developing bioinspired active material for a large number of applications from organoelectronics to bioactive compounds. Here we report the use of the approach referred as "chimie douce", involving in situ formation of the hybrids through reactions of precursors under mild conditions, to prepare novel hybrid functional architectures based on eumelanin like 5,6 dihydroxyindole-2-carboxylic acid (DHICA) polymer and TiO2. Two synthesis procedures were carried out to get DHICA-melanin coated TiO2 nanoparticles as well as mixed DHICA/TiO2 hybrid nanostructures. Such systems were characterized through EPR, FT-IR and fluorescence spectroscopy, thermogravimetric analysis (TGA), X-ray diffraction (XRD), and TEM microscopy in order to assess the effect of synthesis path as well as of DHICA content on structural, morphological and optical properties of TiO2 nanostructures. In particular, EPR, FT-IR spectra and TGA analysis confirmed the presence of DHICA-melanin in these samples. TEM measurements indicated the formation of the nanoparticles having relatively narrow size distribution with average particle size of about 10nm. DHICA-melanin does act as a morphological agent affecting morphology of hybrid nanostructures. XRD analysis proved that TiO2 hybrid nanoparticles kept anatase structures for DHICA-melanin contents within the range of investigated compositions, i.e. up to 50% wt/wt. Copyright © 2012 Elsevier B.V. All rights reserved.

Carboxylated nitrile butadiene rubber/hybrid filler composites

Directory of Open Access Journals (Sweden)

Ahmad Mousa

2012-08-01

Full Text Available The surface properties of the OSW and NLS are measured with the dynamic contact-angle technique. The x-ray photoelectron spectroscopy (XPS of the OSW reveals that the OSW possesses various reactive functional groups namely hydroxyl groups (OH. Hybrid filler from NLS and OSW were incorporated into carboxylated nitrile rubber (XNBR to produce XNBR hybrid composites. The reaction of OH groups from the OSW with COOH of the XNBR is checked by attenuated total reflectance spectra (ATR-IR of the composites. The degree of curing ΔM (maximum torque-minimum torque as a function of hybrid filler as derived from moving die rheometer (MDR is reported. The stress-strain behavior of the hybrid composites as well as the dynamic mechanical thermal analysis (DMTA is studied. Bonding quality and dispersion of the hybrid filler with and in XNBR are examined using scanning-transmission electron microscopy (STEM in SEM.

A hybrid WDM/OCDMA ring with a dynamic add/drop function based on Fourier code for local area networks.

Science.gov (United States)

Choi, Yong-Kyu; Hosoya, Kenta; Lee, Chung Ghiu; Hanawa, Masanori; Park, Chang-Soo

2011-03-28

We propose and experimentally demonstrate a hybrid WDM/OCDMA ring with a dynamic add/drop function based on Fourier code for local area networks. Dynamic function is implemented by mechanically tuning the Fourier encoder/decoder for optical code division multiple access (OCDMA) encoding/decoding. Wavelength division multiplexing (WDM) is utilized for node assignment and 4-chip Fourier code recovers the matched signal from the codes. For an optical source well adapted to WDM channels and its short optical pulse generation, reflective semiconductor optical amplifiers (RSOAs) are used with a fiber Bragg grating (FBG) and gain-switched. To demonstrate we experimentally investigated a two-node hybrid WDM/OCDMA ring with a 4-chip Fourier encoder/decoder fabricated by cascading four FBGs with the bit error rate (BER) of <10(-9) for the node span of 10.64 km at 1.25 Gb/s.

Hybrid Zeolitic Imidazolate Frameworks: Controlling Framework Porosity and Functionality by Mixed-Linker Synthesis

KAUST Repository

Thompson, Joshua A.

2012-05-22

Zeolitic imidazolate frameworks (ZIFs) are a subclass of nanoporous metal-organic frameworks (MOFs) that exhibit zeolite-like structural topologies and have interesting molecular recognition properties, such as molecular sieving and gate-opening effects associated with their pore apertures. The synthesis and characterization of hybrid ZIFs with mixed linkers in the framework are described in this work, producing materials with properties distinctly different from the parent frameworks (ZIF-8, ZIF-90, and ZIF-7). NMR spectroscopy is used to assess the relative amounts of the different linkers included in the frameworks, whereas nitrogen physisorption shows the evolution of the effective pore size distribution in materials resulting from the framework hybridization. X-ray diffraction shows these hybrid materials to be crystalline. In the case of ZIF-8-90 hybrids, the cubic space group of the parent frameworks is continuously maintained, whereas in the case of the ZIF-7-8 hybrids there is a transition from a cubic to a rhombohedral space group. Nitrogen physisorption data reveal that the hybrid materials exhibit substantial changes in gate-opening phenomena, either occurring at continuously tunable partial pressures of nitrogen (ZIF-8-90 hybrids) or loss of gate-opening effects to yield more rigid frameworks (ZIF-7-8 hybrids). With this synthetic approach, significant alterations in MOF properties may be realized to suit a desired separation or catalytic process. © 2012 American Chemical Society.

Rare earth substitutional impurities in germanium: A hybrid density functional theory study

Science.gov (United States)

Igumbor, E.; Omotoso, E.; Tunhuma, S. M.; Danga, H. T.; Meyer, W. E.

2017-10-01

The Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional by means of density functional theory has been used to model the electronic and structural properties of rare earth (RE) substitutional impurities in germanium (REGe) . The formation and charge state transition energies for the REGe (RE = Ce, Pr, Er and Eu) were calculated. The energy of formation for the neutral charge state of the REGe lies between -0.14 and 3.13 eV. The formation energy result shows that the Pr dopant in Ge (PrGe) has the lowest formation energy of -0.14 eV, and is most energetically favourable under equilibrium conditions. The REGe induced charge state transition levels within the band gap of Ge. Shallow acceptor levels were induced by both the Eu (EuGe) and Pr (PrGe) dopants in Ge. The CeGe and ErGe exhibited properties of negative-U ordering with effective-U values of -0.85 and -1.07 eV, respectively.

Hybrid plasmachemical reactor

Energy Technology Data Exchange (ETDEWEB)

Lelevkin, V. M., E-mail: lelevkin44@mail.ru; Smirnova, Yu. G.; Tokarev, A. V. [Kyrgyz-Russian Slavic University (Kyrgyzstan)

2015-04-15

A hybrid plasmachemical reactor on the basis of a dielectric barrier discharge in a transformer is developed. The characteristics of the reactor as functions of the dielectric barrier discharge parameters are determined.

Kurumsal Sosyal Sorumluluk Raporlaması ve Finansal Performans Arasındaki İlişki: Borsa İstanbul’da İşlem Gören Kimya-Petrol-Plastik Sektörü Şirketleri Üzerine Bir Araştırma(The Relationship Between Corporate Social Responsibility and Financial Performance: A Study on BIST Chemical, Petroleum and Plastic Index

Directory of Open Access Journals (Sweden)

Banu BAŞAR

2014-12-01

Full Text Available In today’s World the companies which act according to social responsibility, evaluate their sucess according to economic, environmental and social effects in the long run. For this reason if they operate in the social responsible manner, they think that they will be sucessful. So the information which define the social responsibility activities of companies apart from the financial information tend to increase in the business World. In this study it is aimed to analyse corporate social responsibility and financial performance relationship. Thereby the companies which are BIST Chemical - Petroleum and Plastic sector will be studied between the years 2010-2012 according to the criteria which are determined by GRI (Global Reporting Initiative. In this anaysis firstly the reporting level of the companies according to criteria and then the relationship between the the results and financial performance will be examied.

Hybridization and genome evolution I: The role of contingency during hybrid speciation

Directory of Open Access Journals (Sweden)

Fabrice EROUKHMANOFF, Richard I. BAILEY, Glenn-Peter SæTRE

2013-10-01

Full Text Available Homoploid hybrid speciation (HHS involves the recombination of two differentiated genomes into a novel, functional one without a change in chromosome number. Theoretically, there are numerous ways for two parental genomes to recombine. Hence, chance may play a large role in the formation of a hybrid species. If these genome combinations can evolve rapidly following hybridization and sympatric situations are numerous, recurrent homoploid hybrid speciation is a possibility. We argue that three different, but not mutually exclusive, types of contingencies could influence this process. First, many of these “hopeful monsters” of recombinant parent genotypes would likely have low fitness. Only specific combinations of parental genomic contributions may produce viable, intra-fertile hybrid species able to accommodate potential constraints arising from intragenomic conflict. Second, ecological conditions (competition, geography of the contact zones or the initial frequency of both parent species might favor different outcomes ranging from sympatric coexistence to the formation of hybrid swarms and ultimately hybrid speciation. Finally, history may also play an important role in promoting or constraining recurrent HHS if multiple hybridization events occur sequentially and parental divergence or isolation differs along this continuum. We discuss under which conditions HHS may occur multiple times in parallel and to what extent recombination and selection may fuse the parent genomes in the same or different ways. We conclude by examining different approaches that might help to solve this intriguing evolutionary puzzle [Current Zoology 59 (5: 667-674, 2013].　

Towers of hybrid mesons

International Nuclear Information System (INIS)

Semay, Claude; Buisseret, Fabien; Silvestre-Brac, Bernard

2009-01-01

A hybrid meson is a quark-antiquark pair in which, contrary to ordinary mesons, the gluon field is in an excited state. In the framework of constituent models, the interaction potential is assumed to be the energy of an excited string. An approximate, but accurate, analytical solution of the Schroedinger equation with such a potential is presented. When applied to hybrid charmonia and bottomonia, towers of states are predicted in which the masses are a linear function of a harmonic oscillator band number for the quark-antiquark pair. Such a formula could be a reliable guide for the experimental detection of heavy hybrid mesons.

and chebyshev functions

Directory of Open Access Journals (Sweden)

Mohsen Razzaghi

2000-01-01

Full Text Available A direct method for finding the solution of variational problems using a hybrid function is discussed. The hybrid functions which consist of block-pulse functions plus Chebyshev polynomials are introduced. An operational matrix of integration and the integration of the cross product of two hybrid function vectors are presented and are utilized to reduce a variational problem to the solution of an algebraic equation. Illustrative examples are included to demonstrate the validity and applicability of the technique.

A modular function architecture for adaptive and predictive energy management in hybrid electric vehicles; Eine modulare Funktionsarchitektur fuer adaptives und vorausschauendes Energiemanagement in Hybridfahrzeugen

Energy Technology Data Exchange (ETDEWEB)

Wilde, Andreas

2009-10-27

Due to the relatively low energy density of electrical energy storage devices, the control strategy of hybrid electric vehicles has to fulfil a variety of requirements in order to provide both, the availability of hybrid functions, and their efficient execution. Energy consuming functions such as electric drive or electric boost need a high amount of energy stored in the battery. On the other hand for the optimum use of the energy regeneration function a lower state of charge is preferable in order to enable storage of the kinetic energy of the vehicle in all situations, including upon deceleration from high speeds or downhill driving. These diverging requirements yield a conflict of objectives for the charging strategy of hybrid electric vehicles. This work proposes a way to overcome the restrictions on efficiency in hybrid electric vehicles without deteriorating overall driving performance by charging or discharging the traction battery, and by setting the energy management parametres according to the current and forthcoming driving situation. Specific charging and electric drive strategies are presented for various driving situations which are identified by sensors such as navigation systems, cameras or radar. Necessary sensor data fusion methods for driving situation identification are described and a modular function architecture for predictive energy management is derived that is plug-and-play compatible with a broad fleet of vehicles. In order to evaluate its potential, this work also focuses on the simulation of the energy functions and their implementation into an experimental vehicle. This allows measurements under real traffic conditions and a sensivity analysis of the main module interactions within the architecture. (orig.)

Hybrid materials for optics and photonics.

Science.gov (United States)

Lebeau, Benedicte; Innocenzi, Plinio

2011-02-01

The interest in organic-inorganic hybrids as materials for optics and photonics started more than 25 years ago and since then has known a continuous and strong growth. The high versatility of sol-gel processing offers a wide range of possibilities to design tailor-made materials in terms of structure, texture, functionality, properties and shape modelling. From the first hybrid material with optical functional properties that has been obtained by incorporation of an organic dye in a silica matrix, the research in the field has quickly evolved towards more sophisticated systems, such as multifunctional and/or multicomponent materials, nanoscale and self-assembled hybrids and devices for integrated optics. In the present critical review, we have focused our attention on three main research areas: passive and active optical hybrid sol-gel materials, and integrated optics. This is far from exhaustive but enough to give an overview of the huge potential of these materials in photonics and optics (254 references).

Laser driven fusion fission hybrids

International Nuclear Information System (INIS)

Hansen, L.F.; Maniscalco, J.A.

1977-11-01

The role of the fusion-fission hybrid reactor (FFHR) as a fissile fuel and/or power producer is discussed. As long range options to supply the world energy needs, hybrid-fueled thermal-burner reactors are compared to liquid metal fast breeder reactors (LMFBR). A discussion of different fuel cycles (thorium, depleted uranium, and spent fuel) is presented in order to compare the energy multiplication, the production of fissile fuel, the laser efficiency and pellet gain requirements of the hybrid reactor. Lawrence Livermore Laboratory (LLL) has collaborated with Bechtel Corporation and with Westinghouse in two engineering design studies of laser fusion driven hybrid power plants. The hybrid designs which have resulted from these two studies are briefly described and analyzed by considering operational parameters, such as energy multiplication, power density, burn-up and plutonium production as a function time

Hvordan håndteres den nødvendige distribution af digital bevaring?

DEFF Research Database (Denmark)

Zierau, Eld

2014-01-01

Distribueret digital bevaring er nødvendig, men også tit vanskelig, især når flere organisationer er involveret. En referenceramme kan bistå til forståelse, opbygning og tjek af distribueret digital bevaring, så tilliden til den digitale bevaring opretholdes......Distribueret digital bevaring er nødvendig, men også tit vanskelig, især når flere organisationer er involveret. En referenceramme kan bistå til forståelse, opbygning og tjek af distribueret digital bevaring, så tilliden til den digitale bevaring opretholdes...

Hybrid variational principles and synthesis method for finite element neutron transport calculations

International Nuclear Information System (INIS)

Ackroyd, R.T.; Nanneh, M.M.

1990-01-01

A family of hybrid variational principles is derived using a generalised least squares method. Neutron conservation is automatically satisfied for the hybrid principles employing two trial functions. No interfaces or reflection conditions need to be imposed on the independent even-parity trial function. For some hybrid principles a single trial function can be employed by relating one parity trial function to the other, using one of the parity transport equation in relaxed form. For other hybrid principles the trial functions can be employed sequentially. Synthesis of transport solutions, starting with the diffusion theory approximation, has been used as a way of reducing the scale of the computation that arises with established finite element methods for neutron transport. (author)

Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model

KAUST Repository

Zheng, Zilong

2016-06-24

Density functional theory (DFT) approaches based on range-separated hybrid functionals are currently methods of choice for the description of the charge-transfer (CT) states in organic donor/acceptor solar cells. However, these calculations are usually performed on small-size donor/acceptor complexes and as result do not account for electronic polarization effects. Here, using a pentacene/C60 complex as a model system, we discuss the ability of long-range corrected (LCR) hybrid functionals in combination with the polarizable continuum model (PCM) to determine the impact of the solid-state environment on the CT states. The CT energies are found to be insensitive to the interactions with the dielectric medium when a conventional time-dependent DFT/PCM (TDDFT/PCM) approach is used. However, a decrease in the energy of the CT state in the framework of LRC functionals can be obtained by using a smaller range-separated parameter when going from an isolated donor/acceptor complex to the solid-state case.

Functional Carbon Nanotube/Mesoporous Carbon/MnO2 Hybrid Network for High-Performance Supercapacitors

Directory of Open Access Journals (Sweden)

Tao Tao

2014-01-01

Full Text Available A functional carbon nanotube/mesoporous carbon/MnO2 hybrid network has been developed successfully through a facile route. The resulting composites exhibited a high specific capacitance of 351 F/g at 1 A g−1, with intriguing charge/discharge rate performance and cycling stability due to a synergistic combination of large surface area and excellent electron-transport capabilities of MnO2 with the good conductivity of the carbon nanotube/mesoporous carbon networks. Such composite shows great potential to be used as electrodes for supercapacitors.

Novel acid-base hybrid membrane based on amine-functionalized reduced graphene oxide and sulfonated polyimide for vanadium redox flow battery

International Nuclear Information System (INIS)

Cao, Li; Sun, Qingqing; Gao, Yahui; Liu, Luntao; Shi, Haifeng

2015-01-01

A series of novel acid-base hybrid membranes (SPI/PEI-rGO) based on sulfonated polyimide (SPI) with polyethyleneimine-functionalized reduced graphene oxide (PEI-rGO) are prepared by a solution-casting method for vanadium redox flow battery (VRB). FT-IR and XPS results prove the successful fabrication of PEI-rGO and SPI/PEI-rGO hybrid membranes, which show a dense and homogeneous structure observed by SEM. The physicochemical properties such as water uptake, swelling ratio, ion exchange capacity, proton conductivity and vanadium ion permeability are well controlled by the incorporated PEI-rGO fillers. The interfacial-formed acid-base pairs between PEI-rGO and SPI matrix effectively reduce the swelling ratio and vanadium ion permeability, increasing the stability performance of the hybrid membranes. SPI/PEI-rGO-2 hybrid membrane exhibits a higher coulombic efficiency (CE, 95%) and energy efficiency (EE, 75.6%) at 40 mA cm −2 , as compared with Nafion 117 membrane (CE, 91% and EE, 66.8%). The self-discharge time of the VRB with SPI/PEI-rGO-2 hybrid membrane (80 h) is longer than that of Nafion 117 membrane (26 h), demonstrating the excellent blocking ability for vanadium ion. After 100 charge-discharge cycles, SPI/PEI-rGO-2 membrane exhibits the good stability under strong oxidizing and acid condition, proving that SPI/PEI-rGO acid-base hybrid membranes could be used as the promising candidates for VRB applications

Graphene hybridization for energy storage applications.

Science.gov (United States)

Li, Xianglong; Zhi, Linjie

2018-05-08

Graphene has attracted considerable attention due to its unique two-dimensional structure, high electronic mobility, exceptional thermal conductivity, excellent optical transmittance, good mechanical strength, and ultrahigh surface area. To meet the ever increasing demand for portable electronic products, electric vehicles, smart grids, and renewable energy integrations, hybridizing graphene with various functions and components has been demonstrated to be a versatile and powerful strategy to significantly enhance the performance of various energy storage systems such as lithium-ion batteries, supercapacitors and beyond, because such hybridization can result in synergistic effects that combine the best merits of involved components and confer new functions and properties, thereby improving the charge/discharge efficiencies and capabilities, energy/power densities, and cycle life of these energy storage systems. This review will focus on diverse graphene hybridization principles and strategies for energy storage applications, and the proposed outline is as follows. First, graphene and its fundamental properties, followed by graphene hybrids and related hybridization motivation, are introduced. Second, the developed hybridization formulas of using graphene for lithium-ion batteries are systematically categorized from the viewpoint of material structure design, bulk electrode construction, and material/electrode collaborative engineering; the latest representative progress on anodes and cathodes of lithium-ion batteries will be reviewed following such classifications. Third, similar hybridization formulas for graphene-based supercapacitor electrodes will be summarized and discussed as well. Fourth, the recently emerging hybridization formulas for other graphene-based energy storage devices will be briefed in combination with typical examples. Finally, future prospects and directions on the exploration of graphene hybridization toward the design and construction of

Solubility studies of inorganic–organic hybrid nanoparticle photoresists with different surface functional groups

KAUST Repository

Li, Li

2016-01-01

© 2016 The Royal Society of Chemistry. The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.

Anticorrosive organic/inorganic hybrid coatings

Science.gov (United States)

Gao, Tongzhai

Organic/inorganic hybrid coating system was developed for anticorrosion applications using polyurea, polyurethane or epoxide as the organic phase and polysiloxane, formed by sol-gel process, as the inorganic phase. Polyurea/polysiloxane hybrid coatings were formulated and moisture cured using HDI isocyanurate, alkoxysilane-functionalized HDI isocyanurate, and tetraethyl orthosilicate (TEOS) oligomers. Two urethanes were prepared using the same components as abovementioned in addition to the oligoesters derived from either cyclohexane diacids (CHDA) and 2-butyl-2-ethyl-1,3-propanediol (BEPD) or adipic acid (AA), isophthalic acid (IPA), 1,6-hexanediol (HD), and trimethylol propane (TMP). Accelerated weathering and outdoor exposure were performed to study the weatherability of the polyurethane/polysiloxane hybrid coating system. FTIR and solid-state 13C NMR revealed that the degradation of the hybrid coatings occurred at the urethane and ester functionalities of the organic phase. DMA and DSC analyses showed the glass transition temperature increased and broadened after weathering. SEM was employed to observe the change of morphology of the hybrid coatings and correlated with the gloss variation after weathering. Rutile TiO2 was formulated into polyurethane/polysiloxane hybrid coatings in order to investigate the effect of pigmentation on the coating properties and the sol-gel precursor. Chemical interaction between the TiO2 and the sol-gel precursor was investigated using solid-state 29Si NMR and XPS. The morphology, mechanical, viscoelastic, thermal properties of the pigmented coatings were evaluated as a function of pigmentation volume concentration (PVC). Using AFM and SEM, the pigment were observed to be well dispersed in the polymer matrix. The thermal stability, the tensile modulus and strength of the coatings were enhanced with increasing PVC, whereas the pull-off adhesion and flexibility were reduced with increasing PVC. Finally, the pigmented coatings were

Integrative self-assembly of functional hybrid nanoconstructs by inorganic wrapping of single biomolecules, biomolecule arrays and organic supramolecular assemblies.

Science.gov (United States)

Patil, Avinash J; Li, Mei; Mann, Stephen

2013-08-21

Synthesis of functional hybrid nanoscale objects has been a core focus of the rapidly progressing field of nanomaterials science. In particular, there has been significant interest in the integration of evolutionally optimized biological systems such as proteins, DNA, virus particles and cells with functional inorganic building blocks to construct mesoscopic architectures and nanostructured materials. However, in many cases the fragile nature of the biomolecules seriously constrains their potential applications. As a consequence, there is an on-going quest for the development of novel strategies to modulate the thermal and chemical stabilities, and performance of biomolecules under adverse conditions. This feature article highlights new methods of "inorganic molecular wrapping" of single or multiple protein molecules, individual double-stranded DNA helices, lipid bilayer vesicles and self-assembled organic dye superstructures using inorganic building blocks to produce bio-inorganic nanoconstructs with core-shell type structures. We show that spatial isolation of the functional biological nanostructures as "armour-plated" enzyme molecules or polynucleotide strands not only maintains their intact structure and biochemical properties, but also enables the fabrication of novel hybrid nanomaterials for potential applications in diverse areas of bionanotechnology.

Integrative self-assembly of functional hybrid nanoconstructs by inorganic wrapping of single biomolecules, biomolecule arrays and organic supramolecular assemblies

Science.gov (United States)

Patil, Avinash J.; Li, Mei; Mann, Stephen

2013-07-01

Synthesis of functional hybrid nanoscale objects has been a core focus of the rapidly progressing field of nanomaterials science. In particular, there has been significant interest in the integration of evolutionally optimized biological systems such as proteins, DNA, virus particles and cells with functional inorganic building blocks to construct mesoscopic architectures and nanostructured materials. However, in many cases the fragile nature of the biomolecules seriously constrains their potential applications. As a consequence, there is an on-going quest for the development of novel strategies to modulate the thermal and chemical stabilities, and performance of biomolecules under adverse conditions. This feature article highlights new methods of ``inorganic molecular wrapping'' of single or multiple protein molecules, individual double-stranded DNA helices, lipid bilayer vesicles and self-assembled organic dye superstructures using inorganic building blocks to produce bio-inorganic nanoconstructs with core-shell type structures. We show that spatial isolation of the functional biological nanostructures as ``armour-plated'' enzyme molecules or polynucleotide strands not only maintains their intact structure and biochemical properties, but also enables the fabrication of novel hybrid nanomaterials for potential applications in diverse areas of bionanotechnology.

Comprehensive Benefit Evaluation of the Wind-PV-ES and Transmission Hybrid Power System Consideration of System Functionality and Proportionality

Directory of Open Access Journals (Sweden)

Huizheng Ji

2017-01-01

Full Text Available In the background of decreasing fossil fuels and increasing environmental pollution, the wind-photovoltaic energy storage and transmission hybrid power system (or called the wind-PV-ES and transmission hybrid system has become a strategic choice to achieve energy sustainability. However, the comprehensive benefit evaluation of such a combined power system is in a relatively blank state in China, which will hinder the reasonable and orderly development of this station. Four parts, the technical performance, economic benefit, ecological impact and social benefit, are considered in this paper, and a multi-angle evaluation index system of the wind-PV-ES and transmission system is designed. The projection pursuit model is used to evaluated system functionality conventionally; relative entropy theory is used to evaluate the system functionality simultaneously; and a comprehensive benefit evaluation model of the technique for order preference by similar to ideal solution (TOPSIS considering both system functionality and proportionality is constructed. Finally, the national demonstration station of the wind-PV-ES-transmission system is taken as an example to testify to the practicability and validity of the evaluation index system and model.

Dietary supplementation with hybrid palm oil alters liver function in the common Marmoset.

Science.gov (United States)

Spreafico, Flavia; Sales, Rafael Carvalho; Gil-Zamorano, Judit; Medeiros, Priscylla da Costa; Latasa, Maria-Jesús; Lima, Monique Ribeiro; de Souza, Sergio Augusto Lopes; Martin-Hernández, Roberto; Gómez-Coronado, Diego; Iglesias-Gutierrez, Eduardo; Mantilla-Escalante, Diana C; das Graças Tavares do Carmo, Maria; Dávalos, Alberto

2018-02-09

Hybrid palm oil, which contains higher levels of oleic acid and lower saturated fatty acids in comparison with African palm oil, has been proposed to be somehow equivalent to extra virgin olive oil. However, the biological effects of its consumption are poorly described. Here we have explored the effects of its overconsumption on lipid metabolism in a non-human primate model, the common marmoset. Dietary supplementation of marmoset with hyperlipidic diet containing hybrid palm oil for 3 months did not modify plasma lipids levels, but increased glucose levels as compared to the supplementation with African palm oil. Liver volume was unexpectedly found to be more increased in marmosets consuming hybrid palm oil than in those consuming African palm oil. Hepatic total lipid content and circulating transaminases were dramatically increased in animals consuming hybrid palm oil, as well as an increased degree of fibrosis. Analysis of liver miRNAs showed a selective modulation of certain miRNAs by hybrid palm oil, some of which were predicted to target genes involved in cell adhesion molecules and peroxisomal pathways. Our data suggest that consumption of hybrid palm oil should be monitored carefully, as its overconsumption compared to that of African palm oil could involve important alterations to hepatic metabolism.

Hybrid particles and associated methods

Science.gov (United States)

Fox, Robert V; Rodriguez, Rene; Pak, Joshua J; Sun, Chivin

2015-02-10

Hybrid particles that comprise a coating surrounding a chalcopyrite material, the coating comprising a metal, a semiconductive material, or a polymer; a core comprising a chalcopyrite material and a shell comprising a functionalized chalcopyrite material, the shell enveloping the core; or a reaction product of a chalcopyrite material and at least one of a reagent, heat, and radiation. Methods of forming the hybrid particles are also disclosed.

Functional Hybrid Biomaterials based on Peptide-Polymer Conjugates for Nanomedicine

Science.gov (United States)

Shu, Jessica Yo

The focus of this dissertation is the design, synthesis and characterization of hybrid functional biomaterials based on peptide-polymer conjugates for nanomedicine. Generating synthetic materials with properties comparable to or superior than those found in nature has been a "holy grail" for the materials community. Man-made materials are still rather simplistic when compared to the chemical and structural complexity of a cell. Peptide-polymer conjugates have the potential to combine the advantages of the biological and synthetic worlds---that is they can combine the precise chemical structure and diverse functionality of biomolecules with the stability and processibility of synthetic polymers. As a new family of soft matter, they may lead to materials with novel properties that have yet to be realized with either of the components alone. In order for peptide-polymer conjugates to reach their full potential as useful materials, the structure and function of the peptide should be maintained upon polymer conjugation. The success in achieving desirable, functional assemblies relies on fundamentally understanding the interactions between each building block and delicately balancing and manipulating these interactions to achieve targeted assemblies without interfering with designed structures and functionalities. Such fundamental studies of peptide-polymer interactions were investigated as the nature of the polymer (hydrophilic vs. hydrophobic) and the site of its conjugation (end-conjugation vs. side-conjugation) were varied. The fundamental knowledge gained was then applied to the design of amphiphiles that self-assemble to form stable functional micelles. The micelles exhibited exceptional monodispersity and long-term stability, which is atypical of self-assembled systems. Thus such micelles based on amphiphilic peptide-polymer conjugates may meet many current demands in nanomedicine, in particular for drug delivery of hydrophobic anti-cancer therapeutics. Lastly

GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking

Science.gov (United States)

Baek, Minkyung; Shin, Woong-Hee; Chung, Hwan Won; Seok, Chaok

2017-07-01

Protein-ligand docking is a useful tool for providing atomic-level understanding of protein functions in nature and design principles for artificial ligands or proteins with desired properties. The ability to identify the true binding pose of a ligand to a target protein among numerous possible candidate poses is an essential requirement for successful protein-ligand docking. Many previously developed docking scoring functions were trained to reproduce experimental binding affinities and were also used for scoring binding poses. However, in this study, we developed a new docking scoring function, called GalaxyDock BP2 Score, by directly training the scoring power of binding poses. This function is a hybrid of physics-based, empirical, and knowledge-based score terms that are balanced to strengthen the advantages of each component. The performance of the new scoring function exhibits significant improvement over existing scoring functions in decoy pose discrimination tests. In addition, when the score is used with the GalaxyDock2 protein-ligand docking program, it outperformed other state-of-the-art docking programs in docking tests on the Astex diverse set, the Cross2009 benchmark set, and the Astex non-native set. GalaxyDock BP2 Score and GalaxyDock2 with this score are freely available at http://galaxy.seoklab.org/softwares/galaxydock.html.

Optimal energy management for a flywheel-based hybrid vehicle

NARCIS (Netherlands)

Berkel, van K.; Hofman, T.; Vroemen, B.G.; Steinbuch, M.

2011-01-01

This paper presents the modeling and design of an optimal Energy Management Strategy (EMS) for a flywheel-based hybrid vehicle, that does not use any electrical motor/generator, or a battery, for its hybrid functionalities. The hybrid drive train consists of only low-cost components, such as a

Hybrid soft computing approaches research and applications

CERN Document Server

Dutta, Paramartha; Chakraborty, Susanta

2016-01-01

The book provides a platform for dealing with the flaws and failings of the soft computing paradigm through different manifestations. The different chapters highlight the necessity of the hybrid soft computing methodology in general with emphasis on several application perspectives in particular. Typical examples include (a) Study of Economic Load Dispatch by Various Hybrid Optimization Techniques, (b) An Application of Color Magnetic Resonance Brain Image Segmentation by ParaOptiMUSIG activation Function, (c) Hybrid Rough-PSO Approach in Remote Sensing Imagery Analysis,  (d) A Study and Analysis of Hybrid Intelligent Techniques for Breast Cancer Detection using Breast Thermograms, and (e) Hybridization of 2D-3D Images for Human Face Recognition. The elaborate findings of the chapters enhance the exhibition of the hybrid soft computing paradigm in the field of intelligent computing.

Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures

Directory of Open Access Journals (Sweden)

Jacky Even

2014-01-01

Full Text Available Potentialities of density functional theory (DFT based methodologies are explored for photovoltaic materials through the modeling of the structural and optoelectronic properties of semiconductor hybrid organic-inorganic perovskites and GaAs/GaP heterostructures. They show how the properties of these bulk materials, as well as atomistic relaxations, interfaces, and electronic band-lineups in small heterostructures, can be thoroughly investigated. Some limitations of available standard DFT codes are discussed. Recent improvements able to treat many-body effects or based on density-functional perturbation theory are also reviewed in the context of issues relevant to photovoltaic technologies.

Energy down converting organic fluorophore functionalized mesoporous silica hybrids for monolith-coated light emitting diodes

Directory of Open Access Journals (Sweden)

Markus Börgardts

2017-04-01

Full Text Available The covalent attachment of organic fluorophores in mesoporous silica matrices for usage as energy down converting phosphors without employing inorganic transition or rare earth metals is reported in this article. Triethoxysilylpropyl-substituted derivatives of the blue emitting perylene, green emitting benzofurazane, and red emitting Nile red were synthesized and applied in the synthesis of mesoporous hybrid materials by postsynthetic grafting to commercially available MCM-41. These individually dye-functionalized hybrid materials are mixed in variable ratios to furnish a powder capable of emitting white light with CIE chromaticity coordinates of x = 0.33, y = 0.33 and an external quantum yield of 4.6% upon irradiation at 410 nm. Furthermore, as a proof of concept two different device setups of commercially available UV light emitting diodes, are coated with silica monoliths containing the three triethoxysilylpropyl-substituted fluorophore derivatives. These coatings are able to convert the emitted UV light into light with correlated color temperatures of very cold white (41100 K, 10700 K as well as a greenish white emission with correlated color temperatures of about 5500 K.

Organic electronic materials: Recent advances in the dft description of the ground and excited states using tuned range-separated hybrid functionals

KAUST Repository

Kö rzdö rfer, Thomas; Bredas, Jean-Luc

2014-01-01

-band-gap polymers.In this Account, we highlight how these failures can be traced back to the delocalization error inherent to semilocal and global hybrid functionals, which leads to the spurious delocalization of electron densities and an overestimation

Generalised Computability and Applications to Hybrid Systems

DEFF Research Database (Denmark)

Korovina, Margarita V.; Kudinov, Oleg V.

2001-01-01

We investigate the concept of generalised computability of operators and functionals defined on the set of continuous functions, firstly introduced in [9]. By working in the reals, with equality and without equality, we study properties of generalised computable operators and functionals. Also we...... propose an interesting application to formalisation of hybrid systems. We obtain some class of hybrid systems, which trajectories are computable in the sense of computable analysis. This research was supported in part by the RFBR (grants N 99-01-00485, N 00-01- 00810) and by the Siberian Branch of RAS (a...... grant for young researchers, 2000)...

Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

Science.gov (United States)

Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L

2015-03-05

We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.

Evolution and molecular control of hybrid incompatibility in plants

Directory of Open Access Journals (Sweden)

Chen Chen

2016-08-01

Full Text Available Postzygotic reproductive isolation (RI plays an important role in speciation. According to the stage at which it functions and the symptoms it displays, postzygotic RI can be called hybrid inviability, hybrid weakness or necrosis, hybrid sterility, or hybrid breakdown. In this review, we summarized new findings about hybrid incompatibilities in plants, most of which are from studies on Arabidopsis and rice. Recent progress suggests that hybrid incompatibility is a by-product of co-evolution either with parasitic selfish elements in the genome or with invasive microbes in the natural environment. We discuss the environmental influences on the expression of hybrid incompatibility and the possible effects of environment-dependent hybrid incompatibility on sympatric speciation. We also discuss the role of domestication on the evolution of hybrid incompatibilities.

Diffusion of interstitial oxygen in silicon and germanium: a hybrid functional study

International Nuclear Information System (INIS)

Colleoni, Davide; Pasquarello, Alfredo

2016-01-01

The minimum-energy paths for the diffusion of an interstitial O atom in silicon and germanium are studied through the nudged-elastic-band method and hybrid functional calculations. The reconsideration of the diffusion of O in silicon primarily serves the purpose of validating the procedure for studying the O diffusion in germanium. Our calculations show that the minimum energy path goes through an asymmetric transition state in both silicon and germanium. The stability of these transition states is found to be enhanced by the generation of unpaired electrons in the highest occupied single-particle states. Calculated energy barriers are 2.54 and 2.14 eV for Si and Ge, in very good agreement with corresponding experimental values of 2.53 and 2.08 eV, respectively. (paper)

Hybrid colloidal plasmonic-photonic crystals.

Science.gov (United States)

Romanov, Sergei G; Korovin, Alexander V; Regensburger, Alois; Peschel, Ulf

2011-06-17

We review the recently emerged class of hybrid metal-dielectric colloidal photonic crystals. The hybrid approach is understood as the combination of a dielectric photonic crystal with a continuous metal film. It allows to achieve a strong modification of the optical properties of photonic crystals by involving the light scattering at electronic excitations in the metal component into moulding of the light flow in series to the diffraction resonances occurring in the body of the photonic crystal. We consider different realizations of hybrid plasmonic-photonic crystals based on two- and three-dimensional colloidal photonic crystals in association with flat and corrugated metal films. In agreement with model calculations, different resonance phenomena determine the optical response of hybrid crystals leading to a broadly tuneable functionality of these crystals. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synergistic effect of cellulose nanocrystals/graphene oxide nanosheets as functional hybrid nanofiller for enhancing properties of PVA nanocomposites.

Science.gov (United States)

El Miri, Nassima; El Achaby, Mounir; Fihri, Aziz; Larzek, Mohamed; Zahouily, Mohamed; Abdelouahdi, Karima; Barakat, Abdellatif; Solhy, Abderrahim

2016-02-10

Novel functional hybrid nanofillers composed of cellulose nanocrystals (CNC) and graphene oxide nanosheets (GON), at different weight ratios (2:1, 1:1 and 1:2), were successfully prepared and characterized, and their synergistic effect in enhancing the properties of poly(vinyl alcohol) (PVA) nanocomposites was investigated. Due to the synergistic reinforcement, it was found that the Young's modulus, tensile strength and toughness of the PVA nanocomposite containing 5 wt% hybrid nanofiller (1:2) were significantly improved by 320%, 124% and 159%, respectively; and the elongation at break basically remained compared to the neat PVA matrix. In addition, the glass and melting temperatures as well as the moisture sorption of nanocomposites were also enhanced. This synergistic effect improved the dispersion homogeneity by avoiding the agglomeration phenomenon of nanofillers within the polymer matrix, resulting in nanocomposites with largely enhanced properties compared to those prepared from single nanofiller (CNC or GON). The preparation of these hybrid nanofillers and their incorporation into a polymer provided a novel method for the development of novel multifunctional nanocomposites based on the combination of existing nanomaterials. Copyright © 2015 Elsevier Ltd. All rights reserved.

Diaphite, a new type of surface with mixed sp{sup 2}-sp{sup 3} hybridization for adsorption and functionalization

Energy Technology Data Exchange (ETDEWEB)

Radosinski, Lukasz, E-mail: lukasz.radosinski@pwr.edu.pl [Wroclaw University of Science and Technology, Chemistry Department, Group of Bioprocess and Biomedical Engineering, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland); Formalik, Filip [Wroclaw University of Science and Technology, Chemistry Department, Group of Bioprocess and Biomedical Engineering, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland); Olejniczak, Adam [Department of Spectroscopy of Excited States, Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okolna 2, 50-422 Wroclaw (Poland); Radosz, Andrzej [Wroclaw University of Science and Technology, Faculty of Fundamental Problems of Technology, Department of Quantum Technologies, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland)

2017-05-15

Highlights: • Recent discoveries show a possibility of photoinduced formation of a structure of mixed sp{sub 2}-sp{sub 3} hybridization out of graphite and graphene–diaphite. • Ab initio and molecular mechanics calculations indicate that the surface exhibits large enhancement of binding energy due to favorable sp{sub 3} like hybridization. • The binding energy varies upon configuration of occupied adsorption sites and the adsorption sites form a regular bed-like matrix. - Abstract: We theoretically study a new carbon phase with mixed sp{sup 2}-sp{sup 3} bond hybridization called diaphite. Using ab initio calculations and the adaptive intermolecular reactive bond order (AIREBO) potential approach, we show that the surface of this structure exhibits enhanced adsorption capabilities. Specifically, using hydrogen as a test adsorbate, we calculate that the chemical binding energy, depending on the configuration of hydrogen atoms, varies from 2.08 to 2.9 eV. Furthermore, the adsorption sites form a regular matrix; thus, we postulate that this new stable carbon phase may be a universal matrix for functionalization.

Preparation and Physicochemical Properties of Functionalized Silica/Octamethacryl-Silsesquioxane Hybrid Systems

Directory of Open Access Journals (Sweden)

Karolina Szwarc-Rzepka

2013-01-01

Full Text Available Alkoxysilane-grafted silica/polyhedral oligomeric silsesquioxane with methacryl substituents (SiO2/silane/POSS hybrid material was synthesized according to hydrolyzation and condensation reactions in the so-called “bifunctionalization process.” It is a new attractive system because of its physicochemical, especially thermal and structural, properties. This innovative method of preparation as well as specific physicochemical and useful properties determine the potential applications of such products in many industries. The structure and physicochemical parameters of obtained hybrid systems were characterized using infrared spectroscopy (FTIR, 13C and 29Si solid-state nuclear magnetic resonance (CP MAS NMR, and thermal analysis. The mechanism of bifunctionalization reaction was proposed. The chemical immobilization of silane coupling agent and Methacryl POSS onto silica support surface was noted during the study. Those changes caused a significant increase in the hydrophobic character of fillers obtained. Moreover, changes in thermal stability of SiO2/silane/POSS hybrid systems in comparison to pure POSS modifier were also observed.

Feedback error learning controller for functional electrical stimulation assistance in a hybrid robotic system for reaching rehabilitation

Directory of Open Access Journals (Sweden)

Francisco Resquín

2016-07-01

Full Text Available Hybrid robotic systems represent a novel research field, where functional electrical stimulation (FES is combined with a robotic device for rehabilitation of motor impairment. Under this approach, the design of robust FES controllers still remains an open challenge. In this work, we aimed at developing a learning FES controller to assist in the performance of reaching movements in a simple hybrid robotic system setting. We implemented a Feedback Error Learning (FEL control strategy consisting of a feedback PID controller and a feedforward controller based on a neural network. A passive exoskeleton complemented the FES controller by compensating the effects of gravity. We carried out experiments with healthy subjects to validate the performance of the system. Results show that the FEL control strategy is able to adjust the FES intensity to track the desired trajectory accurately without the need of a previous mathematical model.

Biodistribution and Pharmacokinetics Study of siRNA-loaded Anti-NTSR1-mAb-functionalized Novel Hybrid Nanoparticles in a Metastatic Orthotopic Murine Lung Cancer Model

Directory of Open Access Journals (Sweden)

Maryna Perepelyuk

2016-01-01

Full Text Available Small interfering RNA (siRNA is effective in silencing critical molecular pathways in cancer. The use of this tool as a treatment modality is limited by lack of an intelligent carrier system to enhance the preferential delivery of this molecule to specific targets in vivo. In the present study, the in vivo behavior of novel anti-NTSR1-mAb-functionalized antimutant K-ras siRNA-loaded hybrid nanoparticles, delivered by i.p. injection to non-small-cell lung cancer in mice models, was investigated and compared to that of a naked siRNA formulation. The siRNA in anti-NTSR1-mAb-functionalized hybrid nanoparticles was preferentially accumulated in tumor-bearing lungs and metastasized tumor for at least 48 hours while the naked siRNA formulation showed lack of preferential accumulation in all of the organs monitored. The plasma terminal half-life of nanoparticle-delivered siRNA was 11 times higher (17–1.5 hours than that of the naked siRNA formulation. The mean residence time and AUClast were 3.4 and 33 times higher than the corresponding naked siRNA formulation, respectively. High-performance liquid chromatography analysis showed that the hybrid nanoparticle carrier system protected the encapsulated siRNA against degradation in vivo. Our novel anti-NTSR1-mAb-functionalized hybrid nanoparticles provide a useful platform for in vivo targeting of siRNA for both experimental and clinical purposes.

Improved functionality of graphene and carbon nanotube hybrid foam architecture by UV-ozone treatment

Science.gov (United States)

Wang, Wei; Ruiz, Isaac; Lee, Ilkeun; Zaera, Francisco; Ozkan, Mihrimah; Ozkan, Cengiz S.

2015-04-01

Optimization of the electrode/electrolyte double-layer interface is a key factor for improving electrode performance of aqueous electrolyte based supercapacitors (SCs). Here, we report the improved functionality of carbon materials via a non-invasive, high-throughput, and inexpensive UV generated ozone (UV-ozone) treatment. This process allows precise tuning of the graphene and carbon nanotube hybrid foam (GM) transitionally from ultrahydrophobic to hydrophilic within 60 s. The continuous tuning of surface energy can be controlled by simply varying the UV-ozone exposure time, while the ozone-oxidized carbon nanostructure maintains its integrity. Symmetric SCs based on the UV-ozone treated GM foam demonstrated enhanced rate performance. This technique can be readily applied to other CVD-grown carbonaceous materials by taking advantage of its ease of processing, low cost, scalability, and controllability.Optimization of the electrode/electrolyte double-layer interface is a key factor for improving electrode performance of aqueous electrolyte based supercapacitors (SCs). Here, we report the improved functionality of carbon materials via a non-invasive, high-throughput, and inexpensive UV generated ozone (UV-ozone) treatment. This process allows precise tuning of the graphene and carbon nanotube hybrid foam (GM) transitionally from ultrahydrophobic to hydrophilic within 60 s. The continuous tuning of surface energy can be controlled by simply varying the UV-ozone exposure time, while the ozone-oxidized carbon nanostructure maintains its integrity. Symmetric SCs based on the UV-ozone treated GM foam demonstrated enhanced rate performance. This technique can be readily applied to other CVD-grown carbonaceous materials by taking advantage of its ease of processing, low cost, scalability, and controllability. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr06795a

Numerical solution to generalized Burgers'-Fisher equation using Exp-function method hybridized with heuristic computation.

Science.gov (United States)

Malik, Suheel Abdullah; Qureshi, Ijaz Mansoor; Amir, Muhammad; Malik, Aqdas Naveed; Haq, Ihsanul

2015-01-01

In this paper, a new heuristic scheme for the approximate solution of the generalized Burgers'-Fisher equation is proposed. The scheme is based on the hybridization of Exp-function method with nature inspired algorithm. The given nonlinear partial differential equation (NPDE) through substitution is converted into a nonlinear ordinary differential equation (NODE). The travelling wave solution is approximated by the Exp-function method with unknown parameters. The unknown parameters are estimated by transforming the NODE into an equivalent global error minimization problem by using a fitness function. The popular genetic algorithm (GA) is used to solve the minimization problem, and to achieve the unknown parameters. The proposed scheme is successfully implemented to solve the generalized Burgers'-Fisher equation. The comparison of numerical results with the exact solutions, and the solutions obtained using some traditional methods, including adomian decomposition method (ADM), homotopy perturbation method (HPM), and optimal homotopy asymptotic method (OHAM), show that the suggested scheme is fairly accurate and viable for solving such problems.

Numerical solution to generalized Burgers'-Fisher equation using Exp-function method hybridized with heuristic computation.

Directory of Open Access Journals (Sweden)

Suheel Abdullah Malik

Full Text Available In this paper, a new heuristic scheme for the approximate solution of the generalized Burgers'-Fisher equation is proposed. The scheme is based on the hybridization of Exp-function method with nature inspired algorithm. The given nonlinear partial differential equation (NPDE through substitution is converted into a nonlinear ordinary differential equation (NODE. The travelling wave solution is approximated by the Exp-function method with unknown parameters. The unknown parameters are estimated by transforming the NODE into an equivalent global error minimization problem by using a fitness function. The popular genetic algorithm (GA is used to solve the minimization problem, and to achieve the unknown parameters. The proposed scheme is successfully implemented to solve the generalized Burgers'-Fisher equation. The comparison of numerical results with the exact solutions, and the solutions obtained using some traditional methods, including adomian decomposition method (ADM, homotopy perturbation method (HPM, and optimal homotopy asymptotic method (OHAM, show that the suggested scheme is fairly accurate and viable for solving such problems.

Elasticity-based development of functionally enhanced multicellular 3D liver encapsulated in hybrid hydrogel.

Science.gov (United States)

Lee, Ho-Joon; Son, Myung Jin; Ahn, Jiwon; Oh, Soo Jin; Lee, Mihee; Kim, Ansoon; Jeung, Yun-Ji; Kim, Han-Gyeul; Won, Misun; Lim, Jung Hwa; Kim, Nam-Soon; Jung, Cho-Rock; Chung, Kyung-Sook

2017-12-01

Current in vitro liver models provide three-dimensional (3-D) microenvironments in combination with tissue engineering technology and can perform more accurate in vivo mimicry than two-dimensional models. However, a human cell-based, functionally mature liver model is still desired, which would provide an alternative to animal experiments and resolve low-prediction issues on species differences. Here, we prepared hybrid hydrogels of varying elasticity and compared them with a normal liver, to develop a more mature liver model that preserves liver properties in vitro. We encapsulated HepaRG cells, either alone or with supporting cells, in a biodegradable hybrid hydrogel. The elastic modulus of the 3D liver dynamically changed during culture due to the combined effects of prolonged degradation of hydrogel and extracellular matrix formation provided by the supporting cells. As a result, when the elastic modulus of the 3D liver model converges close to that of the in vivo liver (≅ 2.3 to 5.9 kPa), both phenotypic and functional maturation of the 3D liver were realized, while hepatic gene expression, albumin secretion, cytochrome p450-3A4 activity, and drug metabolism were enhanced. Finally, the 3D liver model was expanded to applications with embryonic stem cell-derived hepatocytes and primary human hepatocytes, and it supported prolonged hepatocyte survival and functionality in long-term culture. Our model represents critical progress in developing a biomimetic liver system to simulate liver tissue remodeling, and provides a versatile platform in drug development and disease modeling, ranging from physiology to pathology. We provide a functionally improved 3D liver model that recapitulates in vivo liver stiffness. We have experimentally addressed the issues of orchestrated effects of mechanical compliance, controlled matrix formation by stromal cells in conjunction with hepatic differentiation, and functional maturation of hepatocytes in a dynamic 3D

Performances Study of a Hybrid Rocket Engine

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Adrian-Nicolae BUTURACHE

2018-06-01

Full Text Available This paper presents a study which analyses the functioning and performances optimization of a hybrid rocket engine based on gaseous oxygen and polybutadiene polymer (HTPB. Calculations were performed with NASA CEA software in order to obtain the parameters resulted following the combustion process. Using these parameters, the main parameters of the hybrid rocket engine were optimized. Using the calculus previously stated, an experimental rocket engine producing 100 N of thrust was pre-dimensioned, followed by an optimization of the rocket engine as a function of several parameters. Having the geometry and the main parameters of the hybrid rocket engine combustion process, numerical simulations were performed in the CFX – ANSYS commercial software, which allowed visualizing the flow field and the jet expansion. Finally, the analytical calculus was validated through numerical simulations.

Cooperative Control for A Hybrid Rehabilitation System Combining Functional Electrical Stimulation and Robotic Exoskeleton

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Dingguo Zhang

2017-12-01

Full Text Available Functional electrical stimulation (FES and robotic exoskeletons are two important technologies widely used for physical rehabilitation of paraplegic patients. We developed a hybrid rehabilitation system (FEXO Knee that combined FES and an exoskeleton for swinging movement control of human knee joints. This study proposed a novel cooperative control strategy, which could realize arbitrary distribution of torque generated by FES and exoskeleton, and guarantee harmonic movements. The cooperative control adopted feedfoward control for FES and feedback control for exoskeleton. A parameter regulator was designed to update key parameters in real time to coordinate FES controller and exoskeleton controller. Two muscle groups (quadriceps and hamstrings were stimulated to generate active torque for knee joint in synchronization with torque compensation from exoskeleton. The knee joint angle and the interactive torque between exoskeleton and shank were used as feedback signals for the control system. Central pattern generator (CPG was adopted that acted as a phase predictor to deal with phase confliction of motor patterns, and realized synchronization between the two different bodies (shank and exoskeleton. Experimental evaluation of the hybrid FES-exoskeleton system was conducted on five healthy subjects and four paraplegic patients. Experimental results and statistical analysis showed good control performance of the cooperative control on torque distribution, trajectory tracking, and phase synchronization.

Mesenchymal stem cells generate distinct functional hybrids in vitro via cell fusion or entosis.

Science.gov (United States)

Sottile, Francesco; Aulicino, Francesco; Theka, Ilda; Cosma, Maria Pia

2016-11-09

Homotypic and heterotypic cell-to-cell fusion are key processes during development and tissue regeneration. Nevertheless, aberrant cell fusion can contribute to tumour initiation and metastasis. Additionally, a form of cell-in-cell structure called entosis has been observed in several human tumours. Here we investigate cell-to-cell interaction between mouse mesenchymal stem cells (MSCs) and embryonic stem cells (ESCs). MSCs represent an important source of adult stem cells since they have great potential for regenerative medicine, even though they are also involved in cancer progression. We report that MSCs can either fuse forming heterokaryons, or be invaded by ESCs through entosis. While entosis-derived hybrids never share their genomes and induce degradation of the target cell, fusion-derived hybrids can convert into synkaryons. Importantly we show that hetero-to-synkaryon transition occurs through cell division and not by nuclear membrane fusion. Additionally, we also observe that the ROCK-actin/myosin pathway is required for both fusion and entosis in ESCs but only for entosis in MSCs. Overall, we show that MSCs can undergo fusion or entosis in culture by generating distinct functional cellular entities. These two processes are profoundly different and their outcomes should be considered given the beneficial or possible detrimental effects of MSC-based therapeutic applications.

Cooperative Control for A Hybrid Rehabilitation System Combining Functional Electrical Stimulation and Robotic Exoskeleton.

Science.gov (United States)

Zhang, Dingguo; Ren, Yong; Gui, Kai; Jia, Jie; Xu, Wendong

2017-01-01

Functional electrical stimulation (FES) and robotic exoskeletons are two important technologies widely used for physical rehabilitation of paraplegic patients. We developed a hybrid rehabilitation system (FEXO Knee) that combined FES and an exoskeleton for swinging movement control of human knee joints. This study proposed a novel cooperative control strategy, which could realize arbitrary distribution of torque generated by FES and exoskeleton, and guarantee harmonic movements. The cooperative control adopted feedfoward control for FES and feedback control for exoskeleton. A parameter regulator was designed to update key parameters in real time to coordinate FES controller and exoskeleton controller. Two muscle groups (quadriceps and hamstrings) were stimulated to generate active torque for knee joint in synchronization with torque compensation from exoskeleton. The knee joint angle and the interactive torque between exoskeleton and shank were used as feedback signals for the control system. Central pattern generator (CPG) was adopted that acted as a phase predictor to deal with phase confliction of motor patterns, and realized synchronization between the two different bodies (shank and exoskeleton). Experimental evaluation of the hybrid FES-exoskeleton system was conducted on five healthy subjects and four paraplegic patients. Experimental results and statistical analysis showed good control performance of the cooperative control on torque distribution, trajectory tracking, and phase synchronization.

Accurate Energies and Structures for Large Water Clusters Using the X3LYP Hybrid Density Functional

OpenAIRE

Su, Julius T.; Xu, Xin; Goddard, William A., III

2004-01-01

We predict structures and energies of water clusters containing up to 19 waters with X3LYP, an extended hybrid density functional designed to describe noncovalently bound systems as accurately as covalent systems. Our work establishes X3LYP as the most practical ab initio method today for calculating accurate water cluster structures and energies. We compare X3LYP/aug-cc-pVTZ energies to the most accurate theoretical values available (n = 2−6, 8), MP2 with basis set superposition error (BSSE)...

The effect of concentration ratio and type of functional group on synthesis of CNT-ZnO hybrid nanomaterial by an in situ sol-gel process

Science.gov (United States)

Hosseini Largani, Sekineh; Akbarzadeh Pasha, Mohammad

2017-12-01

In this research, MWCNT-ZnO hybrid nanomaterials were synthesized by a simple sol-gel process using Zn(CH3COO)2·2H2O and functionalized MWCNT with carboxyl(COOH) and hydroxyl(OH) groups. Three different mass ratios of MWCNT:ZnO = 3:1, 1:1 and 1:3 were examined. The prepared nanomaterials were characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX) and Fourier transform infrared spectroscopy (FTIR). Successful growth of MWCNT-ZnO hybrids for both COOH and OH functional groups and all the three mass ratios were obtained. The ZnO nanoparticles attached on the surfaces of CNTs have rather spherical shapes and hexagonal crystal structure. By increasing the concentration of ZnO, the number and average size of ZnO nanoparticles decorated the body of CNTs in hybrid structures increase. By increasing the ZnO precursor, the distribution of ZnO nanoparticles that appeared on the surface of CNTs becomes more uniform. The SEM observation beside EDX analysis revealed that at the same concentration ratio the amount of ZnO loading on the surface of MWCNT-COOH is more than MWCNT-OH. Moreover, the average size of ZnO nanoparticles attached on the surface of COOH functionalized CNTs is relatively smaller than that of OH functionalized ones.

Stability analysis of hybrid-driven underwater glider

Science.gov (United States)

Niu, Wen-dong; Wang, Shu-xin; Wang, Yan-hui; Song, Yang; Zhu, Ya-qiang

2017-10-01

Hybrid-driven underwater glider is a new type of unmanned underwater vehicle, which combines the advantages of autonomous underwater vehicles and traditional underwater gliders. The autonomous underwater vehicles have good maneuverability and can travel with a high speed, while the traditional underwater gliders are highlighted by low power consumption, long voyage, long endurance and good stealth characteristics. The hybrid-driven underwater gliders can realize variable motion profiles by their own buoyancy-driven and propeller propulsion systems. Stability of the mechanical system determines the performance of the system. In this paper, the Petrel-II hybrid-driven underwater glider developed by Tianjin University is selected as the research object and the stability of hybrid-driven underwater glider unitedly controlled by buoyancy and propeller has been targeted and evidenced. The dimensionless equations of the hybrid-driven underwater glider are obtained when the propeller is working. Then, the steady speed and steady glide path angle under steady-state motion have also been achieved. The steady-state operating conditions can be calculated when the hybrid-driven underwater glider reaches the desired steady-state motion. And the steadystate operating conditions are relatively conservative at the lower bound of the velocity range compared with the range of the velocity derived from the method of the composite Lyapunov function. By calculating the hydrodynamic coefficients of the Petrel-II hybrid-driven underwater glider, the simulation analysis has been conducted. In addition, the results of the field trials conducted in the South China Sea and the Danjiangkou Reservoir of China have been presented to illustrate the validity of the analysis and simulation, and to show the feasibility of the method of the composite Lyapunov function which verifies the stability of the Petrel-II hybrid-driven underwater glider.

A hybrid mammalian cell cycle model

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Vincent Noël

2013-08-01

Full Text Available Hybrid modeling provides an effective solution to cope with multiple time scales dynamics in systems biology. Among the applications of this method, one of the most important is the cell cycle regulation. The machinery of the cell cycle, leading to cell division and proliferation, combines slow growth, spatio-temporal re-organisation of the cell, and rapid changes of regulatory proteins concentrations induced by post-translational modifications. The advancement through the cell cycle comprises a well defined sequence of stages, separated by checkpoint transitions. The combination of continuous and discrete changes justifies hybrid modelling approaches to cell cycle dynamics. We present a piecewise-smooth version of a mammalian cell cycle model, obtained by hybridization from a smooth biochemical model. The approximate hybridization scheme, leading to simplified reaction rates and binary event location functions, is based on learning from a training set of trajectories of the smooth model. We discuss several learning strategies for the parameters of the hybrid model.

Algorithm for locating the extremum of a multi-dimensional constrained function and its application to the PPPL Hybrid Study

International Nuclear Information System (INIS)

Bathke, C.

1978-03-01

A description is presented of a general algorithm for locating the extremum of a multi-dimensional constrained function. The algorithm employs a series of techniques dominated by random shrinkage, steepest descent, and adaptive creeping. A discussion follows of the algorithm's application to a ''real world'' problem, namely the optimization of the price of electricity, P/sub eh/, from a hybrid fusion-fission reactor. Upon the basis of comparisons with other optimization schemes of a survey nature, the algorithm is concluded to yield a good approximation to the location of a function's optimum

Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model

KAUST Repository

Zheng, Zilong; Bredas, Jean-Luc; Coropceanu, Veaceslav

2016-01-01

are usually performed on small-size donor/acceptor complexes and as result do not account for electronic polarization effects. Here, using a pentacene/C60 complex as a model system, we discuss the ability of long-range corrected (LCR) hybrid functionals

Correction: General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory.

Science.gov (United States)

Roch, Loïc M; Baldridge, Kim K

2018-02-07

Correction for 'General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory' by Loïc M. Roch and Kim K. Baldridge, Phys. Chem. Chem. Phys., 2017, 19, 26191-26200.

A hybrid choice model with nonlinear utility functions and bounded distributions for latent variables : application to purchase intention decisions of electric cars

NARCIS (Netherlands)

Kim, J.; Rasouli, S.; Timmermans, H.J.P.

2014-01-01

The hybrid choice model (HCM) provides a powerful framework to account for heterogeneity across decision-makers in terms of different underlying latent attitudes. Typically, effects of the latent attitudes have been represented assuming linear utility functions. In contributing to the further

Functionalized carbon nanotube based hybrid electrochemical capacitors using neutral bromide redox-active electrolyte for enhancing energy density

Science.gov (United States)

Tang, Xiaohui; Lui, Yu Hui; Chen, Bolin; Hu, Shan

2017-06-01

A hybrid electrochemical capacitor (EC) with enhanced energy density is realized by integrating functionalized carbon nanotube (FCNT) electrodes with redox-active electrolyte that has a neutral pH value (1 M Na2SO4 and 0.5 M KBr mixed aqueous solution). The negative electrode shows an electric double layer capacitor-type behavior. On the positive electrode, highly reversible Br-/Br3- redox reactions take place, presenting a battery-type behavior, which contributes to increase the capacitance of the hybrid cell. The voltage window of the whole cell is extended up to 1.5 V because of the high over-potentials of oxygen and hydrogen evolution reactions in the neutral electrolyte. Compared with raw CNT, the FCNT has better wettability in the aqueous electrolyte and contributes to increase the electric double layer capacitance of the cell. As a result, the maximum energy density of 28.3 Wh kg-1 is obtained from the hybrid EC at 0.5 A g-1 without sacrificing its power density, which is around 4 times larger than that of the electrical double layer capacitor constructed by FCNT electrodes and 1 M Na2SO4 electrolyte. Moreover, the discharge capacity retained 86.3% of its initial performance after 10000 cycles of galvanostatic charge and discharge test (10 A/g), suggesting its long life cycle even at high current loading.

Parametric modeling of components for selection and specification of hybrid vehicle drivetrains

NARCIS (Netherlands)

Hofman, T.; Steinbuch, M.; Druten, van R.M.; Serrarens, A.F.A.

2006-01-01

Drivetrain hybridization implies adding a Secondary power source to a Primary power source in order to improve a multiple of driving functions: Fuel economy, Emissions, Driveability, Comfort and Safety. Designing a hybrid vehicle drivetrain fulfilling the required vehicle driving functions is

Effect of Surface Morphology and Dispersion Media on the Properties of PEDOT:PSS/n-Si Hybrid Solar Cell Containing Functionalized Graphene

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Pham Van Trinh

2017-01-01

Full Text Available We present the results on the effect of surface morphology and dispersion media on the properties of PEDOT:PSS/n-Si hybrid solar cell containing functionalized graphene (Gr. The hybrid solar cells based on SiNWs showed higher power conversion efficiency (PCE compared to the planar based cells due to suppressing the carrier recombination and improving carrier transport efficiency. The PCE of hybrid solar cells could be improved by adding Gr into PEDOT:PSS. Different solvents including deionized (DI water, ethylene glycol (EG, and isopropyl alcohol (IPA were used as media for Gr dispersion. The best performance was obtained for the cell containing Gr dispersed in EG with a measured PCE of 7.33% and nearly 13% and 16% enhancement in comparison with the cells using Gr dispersed in IPA and DI water, respectively. The increase in PCE is attributed to improving the carrier-mobility, electrical conductivity, PEDOT crystallinity, and ordering.

Control of DNA hybridization by photoswitchable molecular glue.

Science.gov (United States)

Dohno, Chikara; Nakatani, Kazuhiko

2011-12-01

Hybridization of DNA is one of the most intriguing events in molecular recognition and is essential for living matter to inherit life beyond generations. In addition to the function of DNA as genetic material, DNA hybridization is a key to control the function of DNA-based materials in nanoscience. Since the hybridization of two single stranded DNAs is a thermodynamically favorable process, dissociation of the once formed DNA duplex is normally unattainable under isothermal conditions. As the progress of DNA-based nanoscience, methodology to control the DNA hybridization process has become increasingly important. Besides many reports using the chemically modified DNA for the regulation of hybridization, we focused our attention on the use of a small ligand as the molecular glue for the DNA. In 2001, we reported the first designed molecule that strongly and specifically bound to the mismatched base pairs in double stranded DNA. Further studies on the mismatch binding molecules provided us a key discovery of a novel mode of the binding of a mismatch binding ligand that induced the base flipping. With these findings we proposed the concept of molecular glue for DNA for the unidirectional control of DNA hybridization and, eventually photoswitchable molecular glue for DNA, which enabled the bidirectional control of hybridization under photoirradiation. In this tutorial review, we describe in detail how we integrated the mismatch binding ligand into photoswitchable molecular glue for DNA, and the application and perspective in DNA-based nanoscience.

Recombination between Homeologous Chromosomes in Lager Yeasts leads to Loss of Function of the Hybrid GPH1 Gene.

OpenAIRE

BOND, URSULA

2009-01-01

PUBLISHED Yeasts used in the production of lagers contain complex allopolyploid genomes, resulting from the fusion of two different yeast species closely related to Saccharomyces cerevisiae and Saccharomyces bayanus. Recombination between the homoeologous chromosomes has generated a number of hybrid chromosomes. These recombination events provide potential for adaptive evolution through the loss or gain of gene function. We have examined the genotypic and phenotypic effects of one of the c...

Hybrid Type II fuzzy system & data mining approach for surface finish

Directory of Open Access Journals (Sweden)

Tzu-Liang (Bill Tseng

2015-07-01

Full Text Available In this study, a new methodology in predicting a system output has been investigated by applying a data mining technique and a hybrid type II fuzzy system in CNC turning operations. The purpose was to generate a supplemental control function under the dynamic machining environment, where unforeseeable changes may occur frequently. Two different types of membership functions were developed for the fuzzy logic systems and also by combining the two types, a hybrid system was generated. Genetic algorithm was used for fuzzy adaptation in the control system. Fuzzy rules are automatically modified in the process of genetic algorithm training. The computational results showed that the hybrid system with a genetic adaptation generated a far better accuracy. The hybrid fuzzy system with genetic algorithm training demonstrated more effective prediction capability and a strong potential for the implementation into existing control functions.

A New Built-in Self Test Scheme for Phase-Locked Loops Using Internal Digital Signals

Science.gov (United States)

Kim, Youbean; Kim, Kicheol; Kim, Incheol; Kang, Sungho

Testing PLLs (phase-locked loops) is becoming an important issue that affects both time-to-market and production cost of electronic systems. Though a PLL is the most common mixed-signal building block, it is very difficult to test due to internal analog blocks and signals. In this paper, we propose a new PLL BIST (built-in self test) using the distorted frequency detector that uses only internal digital signals. The proposed BIST does not need to load any analog nodes of the PLL. Therefore, it provides an efficient defect-oriented structural test scheme, reduced area overhead, and improved test quality compared with previous approaches.

Electric energy storage systems for future hybrid vehicles

Energy Technology Data Exchange (ETDEWEB)

Kemper, Hans; Huelshorst, Thomas [FEV Motorentechnik GmbH, Aachen (Germany); Sauer, Dirk Uwe [Elektrochemische Energiewandlung und Speichersystemtechnik, ISEA, RWTH Aachen Univ. (Germany)

2008-07-01

Electric energy storage systems play a key role in today's and even more in future hybrid and electric vehicles. They enable new additional functionalities like Start/Stop, regenerative braking or electric boost and pure electric drive. This article discusses properties and requirements of battery systems like power provision, energy capacity, life time as a function of the hybrid concepts and the real operating conditions of the today's and future hybrid drivetrains. Battery cell technology, component sizing, system design, operating strategy safety measures and diagnosis, modularity and vehicle integration are important battery development topics. A final assessment will draw the conclusion that future drivetrain concepts with higher degree of electrician will be significantly dependent on the progress of battery technology. (orig.)

Protein loop modeling using a new hybrid energy function and its application to modeling in inaccurate structural environments.

Directory of Open Access Journals (Sweden)

Hahnbeom Park

Full Text Available Protein loop modeling is a tool for predicting protein local structures of particular interest, providing opportunities for applications involving protein structure prediction and de novo protein design. Until recently, the majority of loop modeling methods have been developed and tested by reconstructing loops in frameworks of experimentally resolved structures. In many practical applications, however, the protein loops to be modeled are located in inaccurate structural environments. These include loops in model structures, low-resolution experimental structures, or experimental structures of different functional forms. Accordingly, discrepancies in the accuracy of the structural environment assumed in development of the method and that in practical applications present additional challenges to modern loop modeling methods. This study demonstrates a new strategy for employing a hybrid energy function combining physics-based and knowledge-based components to help tackle this challenge. The hybrid energy function is designed to combine the strengths of each energy component, simultaneously maintaining accurate loop structure prediction in a high-resolution framework structure and tolerating minor environmental errors in low-resolution structures. A loop modeling method based on global optimization of this new energy function is tested on loop targets situated in different levels of environmental errors, ranging from experimental structures to structures perturbed in backbone as well as side chains and template-based model structures. The new method performs comparably to force field-based approaches in loop reconstruction in crystal structures and better in loop prediction in inaccurate framework structures. This result suggests that higher-accuracy predictions would be possible for a broader range of applications. The web server for this method is available at http://galaxy.seoklab.org/loop with the PS2 option for the scoring function.

Advanced Nano hybrid Materials: Surface Modification and Applications

International Nuclear Information System (INIS)

Liu, L.H.; Metivier, R.; Wang, Sh.; Wang, Sh.; Hui Wang

2012-01-01

The field of functional nano scale hybrid materials is one of the most promising and rapidly emerging research areas in materials chemistry. Nano scale hybrid materials can be broadly defined as synthetic materials with organic and inorganic components that are linked together by noncovalent bonds (Class I, linked by hydrogen bond, electrostatic force, or van der Waals force) or covalent bonds (Class II) at nanometer scale. The unlimited possible combinations of the distinct properties of inorganic, organic, or even bioactive components in a single material, either in molecular or nano scale dimensions, have attracted considerable attention. This approach provides an opportunity to create a vast number of novel advanced materials with well-controlled structures and multiple functions. The unique properties of advanced hybrid nano materials can be advantageous to many fields, such as optical and electronic materials, biomaterials, catalysis, sensing, coating, and energy storage. In this special issue, the breadth of papers shows that the hybrid materials is attracting attention, because of both growing fundamental interest, and a route to new materials. Two review articles and seven research papers that report new results of hybrid materials should gather widespread interest.

Luminescent hybrid materials functionalized with lanthanide ethylenodiaminotetraacetate complexes containing β-diketonate as antenna ligands

Energy Technology Data Exchange (ETDEWEB)

Aguiar, Franklin P.; Costa, Israel F.; Espínola, José Geraldo P.; Faustino, Wagner M.; Moura, Jandeilson L. [Departamento de Química-Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil); Brito, Hermi F.; Paolini, Tiago B. [Departamento de Química Fundamental-Instituto de Química da Universidade de São Paulo, 05508-900 São Paulo, SP (Brazil); Felinto, Maria Cláudia F.C. [Instituto de Pesquisas energéticas e Nucleares-IPEN, 05508-900 São Paulo, SP (Brazil); Teotonio, Ercules E.S., E-mail: teotonioees@quimica.ufpb.br [Departamento de Química-Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil)

2016-02-15

Three organic–inorganic hybrid materials based on silica gel functionalized with (3-aminopropyl)trimethoxysilane (APTS), [3-(2-aminoetilamino)-propil]-trimetoxissilano (DAPTS) and 3-[2-(2-aminoetilamino)etilamino] propiltrimetoxysilane (TAPTS) and subsequently modified with EDTA derivative were prepared by nonhomogeneous route and were then characterized. The resulting materials named SilXN-EDTA (X=1 for APTS, 2 for DAPTS and 3 for TAPTS) were used to obtain new lanthanide Ln{sup 3+}-β-diketonate (Ln{sup 3+}=Eu{sup 3+}, Gd{sup 3+} and Tb{sup 3+}) complexes covalently linked to the functionalized silica gel surfaces (named SilXN-EDTALn-dik, dik=tta, dbm, bzac and acac). The photophysical properties of the new luminescent materials were investigated and compared with those with similar system presenting water molecules coordinated to the lanthanide ions, SilXN-EDTALn-H{sub 2}O. The SilXN-EDTAEu-dik and SilXN-EDTATb-dik systems displayed characteristic red and green luminescence when excited by UV radiation. Furthermore, the quantitative results showed that the emission quantum efficiency (η), experimental intensity parameters Ω{sub 2} and Ω{sub 4}, and Einstein's emission coefficient (A{sub 0J}) of the SilXN-EDTAEu-dik materials were largely dependent on the ligands. Based on the luminescence data, the most efficient intramolecular energy transfer processes were found to the SilXN-EDTAEu-dik (dik: tta and dbm) and SilXN-EDTATb-acac materials, which exhibited more pure emission colors. These materials are promising red and green phosphors, respectively. - Highlights: • New highly luminescent hybrid materials containing lanthanide-EDTA complexes. • The effect of three silylanting agent on the adsorption and luminescent properties has been studied. • The luminescence sensitizing by different β-diketonate ligands have been investigated.

Do Hybrid Trees Inherit Invasive Characteristics? Fruits of Corymbia torelliana X C. citriodora Hybrids and Potential for Seed Dispersal by Bees.

Science.gov (United States)

Wallace, Helen Margaret; Leonhardt, Sara Diana

2015-01-01

Tree invasions have substantial impacts on biodiversity and ecosystem functioning, and trees that are dispersed by animals are more likely to become invasive. In addition, hybridisation between plants is well documented as a source of new weeds, as hybrids gain new characteristics that allow them to become invasive. Corymbia torelliana is an invasive tree with an unusual animal dispersal mechanism: seed dispersal by stingless bees, that hybridizes readily with other species. We examined hybrids between C. torelliana and C. citriodora subsp. citriodora to determine whether hybrids have inherited the seed dispersal characteristics of C. torelliana that allow bee dispersal. Some hybrid fruits displayed the characteristic hollowness, resin production and resin chemistry associated with seed dispersal by bees. However, we did not observe bees foraging on any hybrid fruits until they had been damaged. We conclude that C. torelliana and C. citriodora subsp. citriodora hybrids can inherit some fruit characters that are associated with dispersal by bees, but we did not find a hybrid with the complete set of characters that would enable bee dispersal. However, around 20,000 hybrids have been planted in Australia, and ongoing monitoring is necessary to identify any hybrids that may become invasive.

Structural, electronic, and optical properties of GaInO{sub 3}: A hybrid density functional study

Energy Technology Data Exchange (ETDEWEB)

Wang, V., E-mail: wangvei@icloud.com; Ma, D.-M.; Liu, R.-J.; Yang, C.-M. [Department of Applied Physics, Xi' an University of Technology, Xi' an 710054 (China); Xiao, W. [State Key Lab of Nonferrous Metals and Processes, General Research Institute for Nonferrous Metals, Beijing 100088 (China)

2014-01-28

The structural, electronic, and optical properties of GaInO{sub 3} have been studied by first-principles calculations based on Heyd-Scuseria-Ernzerhof hybrid functional theory. The optical properties, including the optical reflectivity, refractive index, extinction coefficient, absorption coefficient, and electron energy loss are discussed for radiation up to 60 eV together with the calculated electronic structure. Our results predicted that GaInO{sub 3} displays good transparency over the whole vision region, which is in good agreement with the experimental data available in the literature.

Optimization of hybrid imaging systems based on maximization of kurtosis of the restored point spread function

DEFF Research Database (Denmark)

Demenikov, Mads

2011-01-01

to optimization results based on full-reference image measures of restored images. In comparison with full-reference measures, the kurtosis measure is fast to compute and requires no images, noise distributions, or alignment of restored images, but only the signal-to-noise-ratio. © 2011 Optical Society of America.......I propose a novel, but yet simple, no-reference, objective image quality measure based on the kurtosis of the restored point spread function. Using this measure, I optimize several phase masks for extended-depth-of-field in hybrid imaging systems and obtain results that are identical...

Hybrid mimics and hybrid vigor in Arabidopsis

Science.gov (United States)

Wang, Li; Greaves, Ian K.; Groszmann, Michael; Wu, Li Min; Dennis, Elizabeth S.; Peacock, W. James

2015-01-01

F1 hybrids can outperform their parents in yield and vegetative biomass, features of hybrid vigor that form the basis of the hybrid seed industry. The yield advantage of the F1 is lost in the F2 and subsequent generations. In Arabidopsis, from F2 plants that have a F1-like phenotype, we have by recurrent selection produced pure breeding F5/F6 lines, hybrid mimics, in which the characteristics of the F1 hybrid are stabilized. These hybrid mimic lines, like the F1 hybrid, have larger leaves than the parent plant, and the leaves have increased photosynthetic cell numbers, and in some lines, increased size of cells, suggesting an increased supply of photosynthate. A comparison of the differentially expressed genes in the F1 hybrid with those of eight hybrid mimic lines identified metabolic pathways altered in both; these pathways include down-regulation of defense response pathways and altered abiotic response pathways. F6 hybrid mimic lines are mostly homozygous at each locus in the genome and yet retain the large F1-like phenotype. Many alleles in the F6 plants, when they are homozygous, have expression levels different to the level in the parent. We consider this altered expression to be a consequence of transregulation of genes from one parent by genes from the other parent. Transregulation could also arise from epigenetic modifications in the F1. The pure breeding hybrid mimics have been valuable in probing the mechanisms of hybrid vigor and may also prove to be useful hybrid vigor equivalents in agriculture. PMID:26283378

Doping strategies to control A-centres in silicon: Insights from hybrid density functional theory

KAUST Repository

Wang, Hao; Chroneos, Alexander I.; Londos, Charalampos A.; Sgourou, Efstratia N.; Schwingenschlö gl, Udo

2014-01-01

Hybrid density functional theory is used to gain insights into the interaction of intrinsic vacancies (V) and oxygen-vacancy pairs (VO, known as A-centres) with the dopants (D) germanium (Ge), tin (Sn), and lead (Pb) in silicon (Si). We determine the structures as well as binding and formation energies of the DVO and DV complexes. The results are discussed in terms of the density of states and in view of the potential of isovalent doping to control A-centres in Si. We argue that doping with Sn is the most efficient isovalent doping strategy to suppress A-centres by the formation of SnVO complexes, as these are charge neutral and strongly bound. © 2014 the Owner Societies.

Behavioral and spermatogenic hybrid male breakdown in Nasonia.

Science.gov (United States)

Clark, M E; O'Hara, F P; Chawla, A; Werren, J H

2010-03-01

Several reproductive barriers exist within the Nasonia species complex, including allopatry, premating behavioral isolation, postzygotic inviability and Wolbachia-induced cytoplasmic incompatibility. Here we show that hybrid males suffer two additional reproductive disadvantages, an inability to properly court females and decreased sperm production. Hybrid behavioral sterility, characterized by a reduced ability of hybrids to perform necessary courtship behaviors, occurs in hybrids between two species of Nasonia. Hybrid males produced in crosses between N. vitripennis and N. giraulti courted females at a reduced frequency (23-69%), compared with wild-type N. vitripennis and N. giraulti males (>93%). Reduced courtship frequency was not a simple function of inactivity among hybrids. A strong effect of cytoplasmic (mitochondrial) background was also found in N. vitripennis and N. giraulti crosses; F2 hybrids with giraulti cytoplasm showing reduced ability at most stages of courtship. Hybrids produced between a younger species pair, N. giraulti and N. longicornis, were behaviorally fertile. All males possessed motile sperm, but sperm production is greatly reduced in hybrids between the older species pair, N. vitripennis and N. giraulti. This effect on hybrid males, lowered sperm counts rather than nonfunctional sperm, is different from most described cases of hybrid male sterility, and may represent an earlier stage of hybrid sperm breakdown. The results add to previous studies of F2 hybrid inviability and behavioral sterility, and indicate that Wolbachia-induced hybrid incompatibility has arisen early in species divergence, relative to behavioral sterility and spermatogenic infertility.

A hybrid artificial bee colony algorithm for numerical function optimization

Science.gov (United States)

Alqattan, Zakaria N.; Abdullah, Rosni

2015-02-01

Artificial Bee Colony (ABC) algorithm is one of the swarm intelligence algorithms; it has been introduced by Karaboga in 2005. It is a meta-heuristic optimization search algorithm inspired from the intelligent foraging behavior of the honey bees in nature. Its unique search process made it as one of the most competitive algorithm with some other search algorithms in the area of optimization, such as Genetic algorithm (GA) and Particle Swarm Optimization (PSO). However, the ABC performance of the local search process and the bee movement or the solution improvement equation still has some weaknesses. The ABC is good in avoiding trapping at the local optimum but it spends its time searching around unpromising random selected solutions. Inspired by the PSO, we propose a Hybrid Particle-movement ABC algorithm called HPABC, which adapts the particle movement process to improve the exploration of the original ABC algorithm. Numerical benchmark functions were used in order to experimentally test the HPABC algorithm. The results illustrate that the HPABC algorithm can outperform the ABC algorithm in most of the experiments (75% better in accuracy and over 3 times faster).

Genotype, soil type, and locale effects on reciprocal transplant vigor, endophyte growth, and microbial functional diversity of a narrow sagebrush hybrid zone in Salt Creek Canyon, Utah

Science.gov (United States)

Miglia, K.J.; McArthur, E.D.; Redman, R.S.; Rodriguez, R.J.; Zak, J.C.; Freeman, D.C.

2007-01-01

When addressing the nature of ecological adaptation and environmental factors limiting population ranges and contributing to speciation, it is important to consider not only the plant's genotype and its response to the environment, but also any close interactions that it has with other organisms, specifically, symbiotic microorganisms. To investigate this, soils and seedlings were reciprocally transplanted into common gardens of the big sagebrush hybrid zone in Salt Creek Canyon, Utah, to determine location and edaphic effects on the fitness of parental and hybrid plants. Endophytic symbionts and functional microbial diversity of indigenous and transplanted soils and sagebrush plants were also examined. Strong selection occurred against the parental genotypes in the middle hybrid zone garden in middle hybrid zone soil; F1 hybrids had the highest fitness under these conditions. Neither of the parental genotypes had superior fitness in their indigenous soils and habitats; rather F1 hybrids with the nonindigenous maternal parent were superiorly fit. Significant garden-by-soil type interactions indicate adaptation of both plant and soil microorganisms to their indigenous soils and habitats, most notably in the middle hybrid zone garden in middle hybrid zone soil. Contrasting performances of F1 hybrids suggest asymmetrical gene flow with mountain, rather than basin, big sagebrush acting as the maternal parent. We showed that the microbial community impacted the performance of parental and hybrid plants in different soils, likely limiting the ranges of the different genotypes.

Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

2015-12-14

We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

Hybrid FSAE Vehicle Realization

Science.gov (United States)

2010-12-01

The goal of this multi-year project is to create a fully functional University of Idaho entry in the hybrid FSAE competition. Vehicle integration is underway as part of a variety of 2010-11 senior design projects. This leverages a variety of analytic...

Proximity effect in normal metal-multiband superconductor hybrid structures

NARCIS (Netherlands)

Brinkman, Alexander; Golubov, Alexandre Avraamovitch; Kupriyanov, M. Yu

2004-01-01

A theory of the proximity effect in normal metal¿multiband superconductor hybrid structures is formulated within the quasiclassical Green's function formalism. The quasiclassical boundary conditions for multiband hybrid structures are derived in the dirty limit. It is shown that the existence of

Engineering functional artificial hybrid proteins between poplar peroxiredoxin II and glutaredoxin or thioredoxin

International Nuclear Information System (INIS)

Rouhier, Nicolas; Gama, Filipe; Wingsle, Gunnar; Gelhaye, Eric; Gans, Pierre; Jacquot, Jean-Pierre

2006-01-01

The existence of natural peroxiredoxin-glutaredoxin hybrid enzymes in several bacteria is in line with previous findings indicating that poplar peroxiredoxin II can use glutaredoxin as an electron donor. This peroxiredoxin remains however unique since it also uses thioredoxin with a quite good efficiency. Based on the existing fusions, we have created artificial enzymes containing a poplar peroxiredoxin module linked to glutaredoxin or thioredoxin modules. The recombinant fusion enzymes folded properly into non-covalently bound homodimers or homotetramers. Two of the three protein constructs exhibit peroxidase activity, a reaction where the two modules need to function together, but they also display enzymatic activities specific of each module. In addition, mass spectrometry analyses indicate that the Prx module can be both glutathiolated or overoxidized in vitro. This is discussed in the light of the Prx reactivity

X-ray sensitivity of somatic cell hybrids

International Nuclear Information System (INIS)

Zampetti-Bosseler, F.; Heilporn, V.; Lievens, A.; Limbosch, S.

1976-01-01

Different somatic cell hybrids have been studied as a function of their x-ray survival and karyotypic properties. Hybrids between x-ray-sensitive mouse lymphoma cells and mouse fibroblasts, retaining a large proportion of both parental chromosomes, were much more resistant to irradiation than either of the parental cells. On the other hand, hybrids between sensitive mouse lymphoma cells and hamster fibroblasts which also retained a relatively high number of chromosomes from both parents had a sensitivity intermediate between the sensitivities of the parental cell lines. Finally, hybrids between mouse fibroblasts and hamster fibroblasts carrying at least one hamster genome and less than one mouse genome resembled the hamster parent with respect to survival capactity. The significance of these results is discussed

Absorption properties of metal-semiconductor hybrid nanoparticles.

Science.gov (United States)

Shaviv, Ehud; Schubert, Olaf; Alves-Santos, Marcelo; Goldoni, Guido; Di Felice, Rosa; Vallée, Fabrice; Del Fatti, Natalia; Banin, Uri; Sönnichsen, Carsten

2011-06-28

The optical response of hybrid metal-semiconductor nanoparticles exhibits different behaviors due to the proximity between the disparate materials. For some hybrid systems, such as CdS-Au matchstick-shaped hybrids, the particles essentially retain the optical properties of their original components, with minor changes. Other systems, such as CdSe-Au dumbbell-shaped nanoparticles, exhibit significant change in the optical properties due to strong coupling between the two materials. Here, we study the absorption of these hybrids by comparing experimental results with simulations using the discrete dipole approximation method (DDA) employing dielectric functions of the bare components as inputs. For CdS-Au nanoparticles, the DDA simulation provides insights on the gold tip shape and its interface with the semiconductor, information that is difficult to acquire by experimental means alone. Furthermore, the qualitative agreement between DDA simulations and experimental data for CdS-Au implies that most effects influencing the absorption of this hybrid system are well described by local dielectric functions obtained separately for bare gold and CdS nanoparticles. For dumbbell shaped CdSe-Au, we find a shortcoming of the electrodynamic model, as it does not predict the "washing out" of the optical features of the semiconductor and the metal observed experimentally. The difference between experiment and theory is ascribed to strong interaction of the metal and semiconductor excitations, which spectrally overlap in the CdSe case. The present study exemplifies the employment of theoretical approaches used to describe the optical properties of semiconductors and metal nanoparticles, to achieve better understanding of the behavior of metal-semiconductor hybrid nanoparticles.

Application of Genomic In Situ Hybridization in Horticultural Science

Directory of Open Access Journals (Sweden)

Fahad Ramzan

2017-01-01

Full Text Available Molecular cytogenetic techniques, such as in situ hybridization methods, are admirable tools to analyze the genomic structure and function, chromosome constituents, recombination patterns, alien gene introgression, genome evolution, aneuploidy, and polyploidy and also genome constitution visualization and chromosome discrimination from different genomes in allopolyploids of various horticultural crops. Using GISH advancement as multicolor detection is a significant approach to analyze the small and numerous chromosomes in fruit species, for example, Diospyros hybrids. This analytical technique has proved to be the most exact and effective way for hybrid status confirmation and helps remarkably to distinguish donor parental genomes in hybrids such as Clivia, Rhododendron, and Lycoris ornamental hybrids. The genome characterization facilitates in hybrid selection having potential desirable characteristics during the early hybridization breeding, as this technique expedites to detect introgressed sequence chromosomes. This review study epitomizes applications and advancements of genomic in situ hybridization (GISH techniques in horticultural plants.

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

Science.gov (United States)

Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

2015-01-13

We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

Ab‐initio study of germanium di-interstitial using a hybrid functional (HSE)

Energy Technology Data Exchange (ETDEWEB)

Igumbor, E., E-mail: elgumuk@gmail.com [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Department of Mathematics and Physical Sciences, Samuel Adegboyega University, Km 1 Ogwa/Ehor Rd, Ogwa, Edo State (Nigeria); Ouma, C.N.M.; Webb, G. [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa); Meyer, W.E., E-mail: wmeyer@up.ac.za [Department of Physics, University of Pretoria, Pretoria 0002 (South Africa)

2016-01-01

In this work, we present ab‐initio calculation results of Ge di-interstitials (I{sub 2(Ge)}) in the framework of the density functional theory (DFT) using the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional. The formation energy, transition levels and minimum energy configurations were obtained for I{sub 2(Ge)} −2, −1, 0, +1 and +2 charge states. The calculated formation energies show that for all charge states of I{sub 2(Ge)}, the double tetrahedral (T) configuration formed the most stable defect with a binding energy of 1.24 eV in the neutral state. We found the (+2/+1) charge state transition level for the T lying below the conduction band minimum and (+2/+1) for the split[110]-tetrahedral configuration lying deep at 0.41 eV above the valence band maximum. The di-interstitials in Ge exhibited the properties of both shallow and deep donor levels at (+2/+1) within the band gap and depending on the configurations. I{sub 2(Ge)} gave rise to negative-U, with effective-U values of −0.61 and −1.6 eV in different configurations. We have compared our results with calculations of di-interstitials in silicon and available experimental data.

Functionalized Graphene–Polyoxometalate Nanodots Assembly as “Organic–Inorganic” Hybrid Supercapacitors and Insights into Electrode/Electrolyte Interfacial Processes

Directory of Open Access Journals (Sweden)

Sanju Gupta

2017-07-01

Full Text Available The stable high-performance electrochemical electrodes consisting of supercapacitive reduced graphene oxide (rGO nanosheets decorated with pseudocapacitive polyoxometalates (phosphomolybdate acid-H3PMo12O40 (POM and phosphotungstic acid-H3PW12O40 (POW nanodots/nanoclusters are hydrothermally synthesized. The interactions between rGO and POM (and POW components create emergent “organic–inorganic” hybrids with desirable physicochemical properties (specific surface area, mechanical strength, diffusion, facile electron and ion transport enabled by molecularly bridged (covalently and electrostatically tailored interfaces for electrical energy storage. The synergistic hybridization between two electrochemical energy storage mechanisms, electrochemical double-layer from rGO and redox activity (faradaic of nanoscale POM (and POW nanodots, and the superior operating voltage due to high overpotential yielded converge yielding a significantly improved electrochemical performance. They include increase in specific capacitance from 70 F·g−1 for rGO to 350 F·g−1 for hybrid material with aqueous electrolyte (0.4 M sodium sulfate, higher current carrying capacity (>10 A·g−1 and excellent retention (94% resulting higher specific energy and specific power density. We performed scanning electrochemical microscopy to gain insights into physicochemical processes and quantitatively determine associated parameters (diffusion coefficient (D and heterogeneous electron transfer rate (kET at electrode/electrolyte interface besides mapping electrochemical (reactivity and electro-active site distribution. The experimental findings are attributed to: (1 mesoporous network and topologically multiplexed conductive pathways; (2 higher density of graphene edge plane sites; and (3 localized pockets of re-hybridized orbital engineered modulated band structure provided by polyoxometalates anchored chemically on functionalized graphene nanosheets, contribute toward

A hybrid choice model with a nonlinear utility function and bounded distribution for latent variables : application to purchase intention decisions of electric cars

NARCIS (Netherlands)

Kim, J.; Rasouli, S.; Timmermans, H.J.P.

2016-01-01

The hybrid choice model (HCM) provides a powerful framework to account for heterogeneity across decision-makers in terms of different underlying latent attitudes. Typically, effects of the latent attitudes have been represented assuming linear utility functions. In contributing to the further

A New Triangular Hybrid Displacement Function Element for Static and Free Vibration Analyses of Mindlin-Reissner Plate

Directory of Open Access Journals (Sweden)

Jun-Bin Huang

Full Text Available Abstract A new 3-node triangular hybrid displacement function Mindlin-Reissner plate element is developed. Firstly, the modified variational functional of complementary energy for Mindlin-Reissner plate, which is eventually expressed by a so-called displacement function F, is proposed. Secondly, the locking-free formulae of Timoshenko’s beam theory are chosen as the deflection, rotation, and shear strain along each element boundary. Thirdly, seven fundamental analytical solutions of the displacement function F are selected as the trial functions for the assumed resultant fields, so that the assumed resultant fields satisfy all governing equations in advance. Finally, the element stiffness matrix of the new element, denoted by HDF-P3-7β, is derived from the modified principle of complementary energy. Together with the diagonal inertia matrix of the 3-node triangular isoparametric element, the proposed element is also successfully generalized to the free vibration problems. Numerical results show that the proposed element exhibits overall remarkable performance in all benchmark problems, especially in the free vibration analyses.

Hybrid bulk heterojunction solar cells based on poly(3-hexylthiophene) and ZnO nanoparticles modified by side-chain functional polythiophenes

International Nuclear Information System (INIS)

Li, Fan; Du, Yanhui; Chen, Yiwang

2012-01-01

We report the investigation of the hybrid bulk heterojunction solar cells based on the blend of poly(3-hexylthiophene) (P3HT) and ZnO nanoparticles modified by side-chain thiol functional poly(3-thiophenehexanethiol) (P3HT-SH). Grafting of P3HT-SH onto ZnO nanoparticles can promote the dispersion of ZnO nanoparticles within P3HT matrix and facilitate electron injection process into ZnO nanoparticles, resulting in a more efficient photoinduced charge transfer than that in simple physical mixture of P3HT and non-modified ZnO nanoparticles (P3HT/ZnO). Furthermore, the performance of hybrid photovoltaic device based on P3HT/P3HT-SH-modified ZnO blend exhibits an improved device efficiency compared with P3HT/ZnO even before thermal treatment. After being annealed at 80 °C, the P3HT/P3HT-SH-modified ZnO device shows the power conversion efficiency as high as 0.68%, with the short-circuit current density of 1.89 mA/cm 2 , the open-circuit voltage of 0.599 V and a fill factor of 60.5% under AM 1.5 G illumination with 100 mW/cm 2 light intensity. - Highlights: ► Hybrid solar cells based on poly(3-hexylthiophene) and modified ZnO nanoparticles ► ZnO nanoparticles modified by side-chain functional polythiophenes ► Uniform dispersion and intimate contact between polymers and nanoparticles ► Efficient charge transfer leading to the improvement of device efficiency

Bio-inspired Hybrid Carbon Nanotube Muscles

Science.gov (United States)

Kim, Tae Hyeob; Kwon, Cheong Hoon; Lee, Changsun; An, Jieun; Phuong, Tam Thi Thanh; Park, Sun Hwa; Lima, Márcio D.; Baughman, Ray H.; Kang, Tong Mook; Kim, Seon Jeong

2016-05-01

There has been continuous progress in the development for biomedical engineering systems of hybrid muscle generated by combining skeletal muscle and artificial structure. The main factor affecting the actuation performance of hybrid muscle relies on the compatibility between living cells and their muscle scaffolds during cell culture. Here, we developed a hybrid muscle powered by C2C12 skeletal muscle cells based on the functionalized multi-walled carbon nanotubes (MWCNT) sheets coated with poly(3,4-ethylenedioxythiophene) (PEDOT) to achieve biomimetic actuation. This hydrophilic hybrid muscle is physically durable in solution and responds to electric field stimulation with flexible movement. Furthermore, the biomimetic actuation when controlled by electric field stimulation results in movement similar to that of the hornworm by patterned cell culture method. The contraction and relaxation behavior of the PEDOT/MWCNT-based hybrid muscle is similar to that of the single myotube movement, but has faster relaxation kinetics because of the shape-maintenance properties of the freestanding PEDOT/MWCNT sheets in solution. Our development provides the potential possibility for substantial innovation in the next generation of cell-based biohybrid microsystems.

A hybrid monolithic column based on boronate-functionalized graphene oxide nanosheets for online specific enrichment of glycoproteins.

Science.gov (United States)

Zhou, Chanyuan; Chen, Xiaoman; Du, Zhuo; Li, Gongke; Xiao, Xiaohua; Cai, Zongwei

2017-05-19

A hybrid monolithic column based on aminophenylboronic acid (APBA)-functionalized graphene oxide (GO) has been developed and used for selective enrichment of glycoproteins. The APBA/GO composites were homogeneously incorporated into a polymer monolithic column with the help of oligomer matrix and followed by in situ polymerization. The effect of dispersion of APBA/GO composites in the polymerization mixture on the performance of the monolithic column was explored in detail. The presence of graphene oxide not only enlarged the BET surface area from 6.3m 2 /g to 169.4m 2 /g, but also provided abundant boronic acid moieties for glycoprotein extraction, which improved the enrichment selectivity and efficiency for glycoproteins. The APBA/GO hybrid monolithic column was incorporated into a sequential injection system, which facilitated online extraction of proteins. Combining the superior properties of extraordinary surface area of GO and the affinity interaction of APBA to glycoproteins, the APBA/GO hybrid monolithic column showed higher enrichment factors for glycoproteins than other proteins without cis-diol-containing groups. Also, under comparable or even shorter processing time and without the addition of any organic solvent, it showed higher binding capacity toward glycoproteins compared with the conventional boronate affinity monolithic column. The practical applicability of this system was demonstrated by processing of egg white samples for extraction of ovalbumin and ovotransferrin, and satisfactory results were obtained by assay with SDS-PAGE. Copyright © 2017 Elsevier B.V. All rights reserved.

Hybridization thermodynamics of DNA bound to gold nanoparticles

International Nuclear Information System (INIS)

Lang, Brian

2010-01-01

Isothermal Titration Calorimetry (ITC) was used to study the thermodynamics of hybridization on DNA-functionalized colloidal gold nanoparticles. When compared to the thermodynamics of hybridization of DNA that is free in solution, the differences in the values of the Gibbs free energy of reaction, Δ r G o , the enthalpy, Δ r H o , and entropy, Δ r S o , were small. The change in Δ r G o between the free and bound states was always positive but with statistical significance outside the 95% confidence interval, implying the free DNA is slightly more stable than when in the bound state. Additionally, ITC was also able to reveal information about the binding stoichiometry of the hybridization reactions on the DNA-functionalized gold nanoparticles, and indicates that there is a significant fraction of the DNA on gold nanoparticle surface that is unavailable for DNA hybridization. Furthermore, the fraction of available DNA is dependent on the spacer group on the DNA that is used to span the gold surface from that to the probe DNA.

Nucleon polarizabilities from deuteron Compton scattering within a Green's function hybrid approach

Energy Technology Data Exchange (ETDEWEB)

Hildebrandt, R.P.; Hemmert, T.R. [Technische Universitaet Muenchen, Institut fuer Theoretische Physik (T39), Physik-Department, Garching (Germany); Griesshammer, H.W. [Technische Universitaet Muenchen, Institut fuer Theoretische Physik (T39), Physik-Department, Garching (Germany); Universitaet Erlangen-Nuernberg, Institut fuer Theoretische Physik III, Naturwissenschaftliche Fakultaet I, Erlangen (Germany); The George Washington University, Center for Nuclear Studies, Department of Physics, Washington DC (United States)

2010-10-15

We examine elastic Compton scattering from the deuteron for photon energies ranging from zero to 100MeV, using state-of-the-art deuteron wave functions and NN potentials. Nucleon-nucleon rescattering between emission and absorption of the two photons is treated by Green's functions in order to ensure gauge invariance and the correct Thomson limit. With this Green's function hybrid approach, we fulfill the low-energy theorem of deuteron Compton scattering and there is no significant dependence on the deuteron wave function used. Concerning the nucleon structure, we use the chiral effective field theory with explicit {delta} (1232) degrees of freedom within the small-scale expansion up to leading-one-loop order. Agreement with available data is good at all energies. Our 2-parameter fit to all elastic {gamma} d data leads to values for the static isoscalar dipole polarizabilities which are in excellent agreement with the isoscalar Baldin sum rule. Taking this value as additional input, we find {alpha}{sub E}{sup s} = (11.3{+-}0.7(stat){+-}0.6(Baldin){+-}1(theory)){sup .}10{sup -4} fm{sup 3} and {beta}{sub M}{sup s} = (3.2{+-}0.7(stat){+-}0.6(Baldin){+-}1(theory)){sup .}10{sup -4} fm{sup 3} and conclude by comparison to the proton numbers that neutron and proton polarizabilities are the same within rather small errors. (orig.)

Nanoscale Organic−Inorganic Hybrid Lubricants

KAUST Repository

Kim, Daniel; Archer, Lynden A.

2011-01-01

Silica (SiO2) nanoparticles densely grafted with amphiphilic organic chains are used to create a family of organic-inorganic hybrid lubricants. Short sulfonate-functionalized alkylaryl chains covalently tethered to the particles form a dense corona

The investigation of the design of hybrid operating room

International Nuclear Information System (INIS)

Jiang Weihao; Li Jun

2011-01-01

Objective: To investigate the design of the interventional operating room that can meet the needs of modern DSA operation, and the overall arrangement of the hybrid operating room should be reasonable, practical and perspective. Methods: The experience and understanding obtained from the designing and planning of the new Building of Radiology and Surgery in authors' hospital were summarized. In order to meet the requirements of aseptic surgical practices and a full-featured hybrid operating room the following factors should be carefully and synthetically taken into account: the room size, the functional sub-areas, the operational procedures, the aseptic specification, etc. Results: The sufficient verification and scientific design were the important link for building a hybrid operating room. It could provide the surgeons and interventional physicians with more alternative operating methods and it could represent the development trend of medical technology. Conclusion: When planning and designing a new DSA operating room, various factors related to the interventional procedures, such as the room size, the functional sub-areas, the operational procedures and the aseptic specification, should be carefully and synthetically taken into account. The standard of aseptic procedure must be strictly complied with and the various functional sub-areas need to be rationally distributed. The design of hybrid operating room, which joins the functions of both open surgery and interventional management together, should be scientific, practical and perspective. (authors)

Hybrid mesons with auxiliary fields

International Nuclear Information System (INIS)

Buisseret, F.; Mathieu, V.

2006-01-01

Hybrid mesons are exotic mesons in which the color field is not in the ground state. Their understanding deserves interest from a theoretical point of view, because it is intimately related to nonperturbative aspects of QCD. Moreover, it seems that some recently detected particles, such as the π 1 (1600) and the Y(4260), are serious hybrid candidates. In this work, we investigate the description of such exotic hadrons by applying the auxiliary fields technique (also known as the einbein field method) to the widely used spinless Salpeter Hamiltonian with appropriate linear confinement. Instead of the usual numerical resolution, this technique allows to find simplified analytical mass spectra and wave functions of the Hamiltonian, which still lead to reliable qualitative predictions. We analyse and compare two different descriptions of hybrid mesons, namely a two-body q system with an excited flux tube, or a three-body qg system. We also compute the masses of the 1 -+ hybrids. Our results are shown to be in satisfactory agreement with lattice QCD and other effective models. (orig.)

Optimizing the specificity of nucleic acid hybridization.

Science.gov (United States)

Zhang, David Yu; Chen, Sherry Xi; Yin, Peng

2012-01-22

The specific hybridization of complementary sequences is an essential property of nucleic acids, enabling diverse biological and biotechnological reactions and functions. However, the specificity of nucleic acid hybridization is compromised for long strands, except near the melting temperature. Here, we analytically derived the thermodynamic properties of a hybridization probe that would enable near-optimal single-base discrimination and perform robustly across diverse temperature, salt and concentration conditions. We rationally designed 'toehold exchange' probes that approximate these properties, and comprehensively tested them against five different DNA targets and 55 spurious analogues with energetically representative single-base changes (replacements, deletions and insertions). These probes produced discrimination factors between 3 and 100+ (median, 26). Without retuning, our probes function robustly from 10 °C to 37 °C, from 1 mM Mg(2+) to 47 mM Mg(2+), and with nucleic acid concentrations from 1 nM to 5 µM. Experiments with RNA also showed effective single-base change discrimination.

Functional stability of endothelial cells on a novel hybrid scaffold for vascular tissue engineering

Energy Technology Data Exchange (ETDEWEB)

Pankajakshan, Divya; Krishnan, Lissy K [Thrombosis Research Unit, Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Poojapura, Trivandrum 695 012 (India); Krishnan V, Kalliyana, E-mail: lissykk@sctimst.ac.i [Division of Polymer Technology, Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Poojapura, Trivandrum 695 012 (India)

2010-12-15

Porous and pliable conduits made of biodegradable polymeric scaffolds offer great potential for the development of blood vessel substitutes but they generally lack signals for cell proliferation, survival and maintenance of a normal phenotype. In this study we have prepared and evaluated porous poly({epsilon}-caprolactone) (PCL) integrated with fibrin composite (FC) to get a biomimetic hybrid scaffold (FC PCL) with the biological properties of fibrin, fibronectin (FN), gelatin, growth factors and glycosaminoglycans. Reduced platelet adhesion on a human umbilical vein endothelial cell-seeded hybrid scaffold as compared to bare PCL or FC PCL was observed, which suggests the non-thrombogenic nature of the tissue-engineered scaffold. Analysis of real-time polymerase chain reaction (RT-PCR) after 5 days of endothelial cell (EC) culture on a hybrid scaffold indicated that the prothrombotic von Willebrand factor and plasminogen activator inhibitor (PAI) were quiescent and stable. Meanwhile, dynamic expressions of tissue plasminogen activator (tPA) and endothelial nitric oxide synthase indicated the desired cell phenotype on the scaffold. On the hybrid scaffold, shear stress could induce enhanced nitric oxide release, which implicates vaso-responsiveness of EC grown on the tissue-engineered construct. Significant upregulation of mRNA for extracellular matrix (ECM) proteins, collagen IV and elastin, in EC was detected by RT-PCR after growing them on the hybrid scaffold and FC-coated tissue culture polystyrene (FC TCPS) but not on FN-coated TCPS. The results indicate that the FC PCL hybrid scaffold can accomplish a remodeled ECM and non-thrombogenic EC phenotype, and can be further investigated as a scaffold for cardiovascular tissue engineering. (communication)

Functional stability of endothelial cells on a novel hybrid scaffold for vascular tissue engineering

International Nuclear Information System (INIS)

Pankajakshan, Divya; Krishnan, Lissy K; Krishnan V, Kalliyana

2010-01-01

Porous and pliable conduits made of biodegradable polymeric scaffolds offer great potential for the development of blood vessel substitutes but they generally lack signals for cell proliferation, survival and maintenance of a normal phenotype. In this study we have prepared and evaluated porous poly(ε-caprolactone) (PCL) integrated with fibrin composite (FC) to get a biomimetic hybrid scaffold (FC PCL) with the biological properties of fibrin, fibronectin (FN), gelatin, growth factors and glycosaminoglycans. Reduced platelet adhesion on a human umbilical vein endothelial cell-seeded hybrid scaffold as compared to bare PCL or FC PCL was observed, which suggests the non-thrombogenic nature of the tissue-engineered scaffold. Analysis of real-time polymerase chain reaction (RT-PCR) after 5 days of endothelial cell (EC) culture on a hybrid scaffold indicated that the prothrombotic von Willebrand factor and plasminogen activator inhibitor (PAI) were quiescent and stable. Meanwhile, dynamic expressions of tissue plasminogen activator (tPA) and endothelial nitric oxide synthase indicated the desired cell phenotype on the scaffold. On the hybrid scaffold, shear stress could induce enhanced nitric oxide release, which implicates vaso-responsiveness of EC grown on the tissue-engineered construct. Significant upregulation of mRNA for extracellular matrix (ECM) proteins, collagen IV and elastin, in EC was detected by RT-PCR after growing them on the hybrid scaffold and FC-coated tissue culture polystyrene (FC TCPS) but not on FN-coated TCPS. The results indicate that the FC PCL hybrid scaffold can accomplish a remodeled ECM and non-thrombogenic EC phenotype, and can be further investigated as a scaffold for cardiovascular tissue engineering. (communication)

ON THE STABILIZATION OF THE LINEAR HYBRID SYSTEM STRUCTURE

Directory of Open Access Journals (Sweden)

Kirillov

2014-11-01

Full Text Available The linear control hybrid system, consisting of a fi- nite set of subsystems (modes having different dimensions, is considered. The moments of reset time are determined by some complementary function – evolutionary time. This function satisfies the special complementary ordinary differential equation. The mode stabilization problem is solved for some class of piecewise linear controls. The method of stabilization relies on the set of invariant planes, the existence of which is due to the special form of the hybrid system.

Nonsurgical treatment of hemifacial microsomia by therapeutic ultrasound and hybrid functional appliance

Directory of Open Access Journals (Sweden)

Tarek El-Bialy

2010-03-01

Full Text Available Tarek El-Bialy1, Ali Hasan2, Ahmad Janadas3, Tarik Albaghdadi41Division of Orthodontics, Department of Dentistry, University of Alberta, Edmonton, Alberta, Canada; 2Division of Orthodontics, Department of Preventive Dental Sciences, Faculty of Dentistry; 3Division of Oral and Maxillofacial Surgery, Department of Oral and Maxillofacial Surgery, Faculty of Dentistry; 4Division of Radiology, Faculty of Medicine, King Abdul Aziz University, Jeddah, Saudi ArabiaAim: Conventional treatment of patients with hemifacial microsomia involves orthognathic surgery and/or distraction osteogenesis of the mandible. Previous reports showed that low-intensity pulsed ultrasound (LIPUS enhances mandibular growth in growing rabbits and monkeys. In monkeys, LIPUS enhanced mandibular growth when combined with functional jaw orthopedic appliances. The purpose of this pilot study was to investigate if LIPUS could enhance mandibular growth in children with hemifacial microsomia.Methods: Five children (age range 3–11 years with hemifacial microsomia were treated with hybrid jaw orthopedic functional appliances and treatment of the affected mandibular condyle by LIPUS for 20 minutes per day.Results: The results showed that after one year of treatment, significant improvement of the underdeveloped side of patients’ faces and mandibles was recognized both clinically and radiographically.Discussion: Although improvement took a longer time than did a surgical approach, optimizing this technique may achieve better results in a shorter treatment time. A randomized controlled clinical trial to investigate the effect of optimized LIPUS application or functional appliances in the treatment of hemifacial microsomia is warranted.Keywords: hemifacial microsomia, LIPUS, non-surgical treatment, children

Photoconductivity enhancement and charge transport properties in ruthenium-containing block copolymer/carbon nanotube hybrids.

Science.gov (United States)

Lo, Kin Cheung; Hau, King In; Chan, Wai Kin

2018-04-05

Functional polymer/carbon nanotube (CNT) hybrid materials can serve as a good model for light harvesting systems based on CNTs. This paper presents the synthesis of block copolymer/CNT hybrids and the characterization of their photocurrent responses by both experimental and computational approaches. A series of functional diblock copolymers was synthesized by reversible addition-fragmentation chain transfer polymerizations for the dispersion and functionalization of CNTs. The block copolymers contain photosensitizing ruthenium complexes and modified pyrene-based anchoring units. The photocurrent responses of the polymer/CNT hybrids were measured by photoconductive atomic force microscopy (PCAFM), from which the experimental data were analyzed by vigorous statistical models. The difference in photocurrent response among different hybrids was correlated to the conformations of the hybrids, which were elucidated by molecular dynamics simulations, and the electronic properties of polymers. The photoresponse of the block copolymer/CNT hybrids can be enhanced by introducing an electron-accepting block between the photosensitizing block and the CNT. We have demonstrated that the application of a rigorous statistical methodology can unravel the charge transport properties of these hybrid materials and provide general guidelines for the design of molecular light harvesting systems.

Design, analysis and modeling of a novel hybrid powertrain system based on hybridized automated manual transmission

Science.gov (United States)

Wu, Guang; Dong, Zuomin

2017-09-01

Hybrid electric vehicles are widely accepted as a promising short to mid-term technical solution due to noticeably improved efficiency and lower emissions at competitive costs. In recent years, various hybrid powertrain systems were proposed and implemented based on different types of conventional transmission. Power-split system, including Toyota Hybrid System and Ford Hybrid System, are well-known examples. However, their relatively low torque capacity, and the drive of alternative and more advanced designs encouraged other innovative hybrid system designs. In this work, a new type of hybrid powertrain system based hybridized automated manual transmission (HAMT) is proposed. By using the concept of torque gap filler (TGF), this new hybrid powertrain type has the potential to overcome issue of torque gap during gearshift. The HAMT design (patent pending) is described in details, from gear layout and design of gear ratios (EV mode and HEV mode) to torque paths at different gears. As an analytical tool, mutli-body model of vehicle equipped with this HAMT was built to analyze powertrain dynamics at various steady and transient modes. A gearshift was decomposed and analyzed based basic modes. Furthermore, a Simulink-SimDriveline hybrid vehicle model was built for the new transmission, driveline and vehicle modular. Control strategy has also been built to harmonically coordinate different powertrain components to realize TGF function. A vehicle launch simulation test has been completed under 30% of accelerator pedal position to reveal details during gearshift. Simulation results showed that this HAMT can eliminate most torque gap that has been persistent issue of traditional AMT, improving both drivability and performance. This work demonstrated a new type of transmission that features high torque capacity, high efficiency and improved drivability.

Hybrid robotic systems for upper limb rehabilitation after stroke: A review.

Science.gov (United States)

Resquín, Francisco; Cuesta Gómez, Alicia; Gonzalez-Vargas, Jose; Brunetti, Fernando; Torricelli, Diego; Molina Rueda, Francisco; Cano de la Cuerda, Roberto; Miangolarra, Juan Carlos; Pons, José Luis

2016-11-01

In recent years the combined use of functional electrical stimulation (FES) and robotic devices, called hybrid robotic rehabilitation systems, has emerged as a promising approach for rehabilitation of lower and upper limb motor functions. This paper presents a review of the state of the art of current hybrid robotic solutions for upper limb rehabilitation after stroke. For this aim, studies have been selected through a search using web databases: IEEE-Xplore, Scopus and PubMed. A total of 10 different hybrid robotic systems were identified, and they are presented in this paper. Selected systems are critically compared considering their technological components and aspects that form part of the hybrid robotic solution, the proposed control strategies that have been implemented, as well as the current technological challenges in this topic. Additionally, we will present and discuss the corresponding evidences on the effectiveness of these hybrid robotic therapies. The review also discusses the future trends in this field. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Hybrid Propulsion Demonstration Program 250K Hybrid Motor

Science.gov (United States)

Story, George; Zoladz, Tom; Arves, Joe; Kearney, Darren; Abel, Terry; Park, O.

2003-01-01

The Hybrid Propulsion Demonstration Program (HPDP) program was formed to mature hybrid propulsion technology to a readiness level sufficient to enable commercialization for various space launch applications. The goal of the HPDP was to develop and test a 250,000 pound vacuum thrust hybrid booster in order to demonstrate hybrid propulsion technology and enable manufacturing of large hybrid boosters for current and future space launch vehicles. The HPDP has successfully conducted four tests of the 250,000 pound thrust hybrid rocket motor at NASA's Stennis Space Center. This paper documents the test series.

Mitochondrial Recombination and Introgression during Speciation by Hybridization.

Science.gov (United States)

Leducq, Jean-Baptiste; Henault, Mathieu; Charron, Guillaume; Nielly-Thibault, Lou; Terrat, Yves; Fiumera, Heather L; Shapiro, B Jesse; Landry, Christian R

2017-08-01

Genome recombination is a major source of genotypic diversity and contributes to adaptation and speciation following interspecies hybridization. The contribution of recombination in these processes has been thought to be largely limited to the nuclear genome because organelles are mostly uniparentally inherited in animals and plants, which prevents recombination. Unicellular eukaryotes such as budding yeasts do, however, transmit mitochondria biparentally, suggesting that during hybridization, both parents could provide alleles that contribute to mitochondrial functions such as respiration and metabolism in hybrid populations or hybrid species. We examined the dynamics of mitochondrial genome transmission and evolution during speciation by hybridization in the natural budding yeast Saccharomyces paradoxus. Using population-scale mitochondrial genome sequencing in two endemic North American incipient species SpB and SpC and their hybrid species SpC*, we found that both parental species contributed to the hybrid mitochondrial genome through recombination. We support our findings by showing that mitochondrial recombination between parental types is frequent in experimental crosses that recreate the early step of this speciation event. In these artificial hybrids, we observed that mitochondrial genome recombination enhances phenotypic variation among diploid hybrids, suggesting that it could play a role in the phenotypic differentiation of hybrid species. Like the nuclear genome, the mitochondrial genome can, therefore, also play a role in hybrid speciation. © The Author 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Novel brewing yeast hybrids: creation and application.

Science.gov (United States)

Krogerus, Kristoffer; Magalhães, Frederico; Vidgren, Virve; Gibson, Brian

2017-01-01

The natural interspecies Saccharomyces cerevisiae × Saccharomyces eubayanus hybrid yeast is responsible for global lager beer production and is one of the most important industrial microorganisms. Its success in the lager brewing environment is due to a combination of traits not commonly found in pure yeast species, principally low-temperature tolerance, and maltotriose utilization. Parental transgression is typical of hybrid organisms and has been exploited previously for, e.g., the production of wine yeast with beneficial properties. The parental strain S. eubayanus has only been discovered recently and newly created lager yeast strains have not yet been applied industrially. A number of reports attest to the feasibility of this approach and artificially created hybrids are likely to have a significant impact on the future of lager brewing. De novo S. cerevisiae × S. eubayanus hybrids outperform their parent strains in a number of respects, including, but not restricted to, fermentation rate, sugar utilization, stress tolerance, and aroma formation. Hybrid genome function and stability, as well as different techniques for generating hybrids and their relative merits are discussed. Hybridization not only offers the possibility of generating novel non-GM brewing yeast strains with unique properties, but is expected to aid in unraveling the complex evolutionary history of industrial lager yeast.

The effect of invasive hybrid taxa on the ecological succession of coastal marshes

Science.gov (United States)

Hybridization following colonization of invasive species in novel environments frequently results in offspring with improved biological and competitive functions referred to as heterosis or hybrid vigor. However, little is known about the effect of these invasive hybrids on the structuring and funct...

H2S Sensing by Hybrids Based on Nanocrystalline SnO2 Functionalized with Cu(II Organometallic Complexes: The Role of the Ligand Platform

Directory of Open Access Journals (Sweden)

Marina Rumyantseva

2017-11-01

Full Text Available This paper deals with the functionalization of nanocrystalline SnO2 with Cu(II complexes with organic ligands, aimed at the improvement of sensor selectivity towards gas molecules. For the synthesis of metalorganic/SnO2 hybrid material complexes of Cu(II with phthalocyanine, porphyrinines, bipyridine and azadithiacrown etherwere used. The analysis of gas sensor properties showed the possibility of increasing the sensitivity and selectivity of hybrid materials in H2S detection due to the electron transfer from SnO2 to an adsorbed organic molecule, which changes during the interaction between H2S and Cu(II ions.

Self-organization of Au–CdSe hybrid nanoflowers at different length scales via bi-functional diamine linkers

Energy Technology Data Exchange (ETDEWEB)

AbouZeid, Khaled Mohamed [Virginia Commonwealth University, Department of Chemistry (United States); Mohamed, Mona Bakr [Cairo University, National Institute of Laser Enhanced Science (NILES) (Egypt); El-Shall, M. Samy, E-mail: mselshal@vcu.edu [Virginia Commonwealth University, Department of Chemistry (United States)

2016-01-15

This work introduces a series of molecular bridging bi-functional linkers to produce laterally self-assembled nanostructures of the Au–CdSe nanoflowers on different length scales ranging from 10 nm to 100 microns. Assembly of Au nanocrystals within amorphous CdSe rods is found in the early stages of the growth of the Au–CdSe nanoflowers. The Au–CdSe nanoflowers are formed through a one-pot low temperature (150 °C) process where CdSe clusters are adsorbed on the surface of the Au cores, and they then start to form multiple arms and branches resulting in flower-shaped hybrid nanostructures. More complex assembly at a micron length scale can be achieved by means of bi-functional capping agents with appropriate alkyl chain lengths, such as 1,12-diaminododecane.

Hybrid Methods in Designing Sierpinski Gasket Antennas

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Mudrik Alaydrus

2010-12-01

Full Text Available Sierpinki gasket antennas as example of fractal antennas show multiband characteristics. The computer simulation of Sierpinksi gasket monopole with finite ground needs prohibitively large computer memory and more computational time. Hybrid methods consist of surface integral equation method and physical optics or uniform geometrical theory of diffraction should alleviate this computational burdens. The so-called full hybridization of the different methods with modifying the incoming electromagnetic waves in case of hybrid method surface integral equation method and physical optics and modification of the Greens function for hybrid method surface integral equation method and uniform geometrical theory of diffraction plays the central role in the observation. Comparison between results of different methods are given and also measurements of three Sierpinksi gasket antennas. The multiband characteristics of the antennas still can be seen with some reduction and enhancement of resonances.

Heterogeneous Catalysis of Polyoxometalate Based Organic–Inorganic Hybrids

Directory of Open Access Journals (Sweden)

Yuanhang Ren

2015-03-01

Full Text Available Organic–inorganic hybrid polyoxometalate (POM compounds are a subset of materials with unique structures and physical/chemical properties. The combination of metal-organic coordination complexes with classical POMs not only provides a powerful way to gain multifarious new compounds but also affords a new method to modify and functionalize POMs. In parallel with the many reports on the synthesis and structure of new hybrid POM compounds, the application of these compounds for heterogeneous catalysis has also attracted considerable attention. The hybrid POM compounds show noteworthy catalytic performance in acid, oxidation, and even in asymmetric catalytic reactions. This review summarizes the design and synthesis of organic–inorganic hybrid POM compounds and particularly highlights their recent progress in heterogeneous catalysis.

What controls the hybridization thermodynamics of spherical nucleic acids?

Science.gov (United States)

Randeria, Pratik S; Jones, Matthew R; Kohlstedt, Kevin L; Banga, Resham J; Olvera de la Cruz, Monica; Schatz, George C; Mirkin, Chad A

2015-03-18

The hybridization of free oligonucleotides to densely packed, oriented arrays of DNA modifying the surfaces of spherical nucleic acid (SNA)-gold nanoparticle conjugates occurs with negative cooperativity; i.e., each binding event destabilizes subsequent binding events. DNA hybridization is thus an ever-changing function of the number of strands already hybridized to the particle. Thermodynamic quantification of this behavior reveals a 3 orders of magnitude decrease in the binding constant for the capture of a free oligonucleotide by an SNA conjugate as the fraction of pre-hybridized strands increases from 0 to ∼30%. Increasing the number of pre-hybridized strands imparts an increasing enthalpic penalty to hybridization that makes binding more difficult, while simultaneously decreasing the entropic penalty to hybridization, which makes binding more favorable. Hybridization of free DNA to an SNA is thus governed by both an electrostatic barrier as the SNA accumulates charge with additional binding events and an effect consistent with allostery, where hybridization at certain sites on an SNA modify the binding affinity at a distal site through conformational changes to the remaining single strands. Leveraging these insights allows for the design of conjugates that hybridize free strands with significantly higher efficiencies, some of which approach 100%.

Hybrid magnetorheological fluid–elastomeric lag dampers for helicopter stability augmentation

International Nuclear Information System (INIS)

Hu Wei; Wereley, Norman M

2008-01-01

A laboratory demonstration of a hybrid magnetorheological fluid–elastomeric (MRFE) damper is investigated for adjustable or programmable lag mode damping in helicopters, so that damping requirements can be varied as a function of different flight conditions. The laboratory demonstration of this hybrid MRFE lag damper consists of a double lap shear elastomeric damper in parallel with two magnetorheological (MR) flow mode dampers. This is compared to a damper where only elastomeric materials are implemented, i.e., a double lap shear specimen. The relationship between the output force and the quasi-steady harmonic displacement input to a flow mode MR damper is exploited, where the output force can be adjusted as a function of applied magnetic field. Equivalent viscous damping is used to compare the damping characteristics of the hybrid damper to a conventional elastomeric damper under steady-state sinusoidal displacement excitation. To demonstrate feasibility, a hybrid MRFE damper test setup is designed, and single frequency (lag frequency or rotor in-plane bending frequency) and dual frequency (lag frequency and rotor frequency) tests are conducted under different magnetic fields. The hybrid MRFE damper exhibits amplitude-dependent damping behavior. However, with application of a magnetic field, the damping level is controlled to a specific damping level objective as a function of displacement amplitude. Similarly, under dual frequency conditions, damping degradation at the lag frequency, because of lag motion at the rotor frequency, can also be recovered by increasing magnetic field. A time-domain analysis is developed to study the nonlinear dynamic behavior of the hybrid MRFE damper. Using rate-dependent elasto-slides, the amplitude-dependent behavior of the hybrid MRFE damper is accurately reconstructed using both constant and current-dependent (i.e. controllable) parameters. The analysis is physically motivated and can be applied to the elastomer and MR fluid

Functional efficiency comparison between split- and parallel-hybrid using advanced energy flow analysis methods

Energy Technology Data Exchange (ETDEWEB)

Guttenberg, Philipp; Lin, Mengyan [Romax Technology, Nottingham (United Kingdom)

2009-07-01

The following paper presents a comparative efficiency analysis of the Toyota Prius versus the Honda Insight using advanced Energy Flow Analysis methods. The sample study shows that even very different hybrid concepts like a split- and a parallel-hybrid can be compared in a high level of detail and demonstrates the benefit showing exemplary results. (orig.)

Hybrid Life Support System Technology Demonstrations

Science.gov (United States)

Morrow, R. C.; Wetzel, J. P.; Richter, R. C.

2018-02-01

Demonstration of plant-based hybrid life support technologies in deep space will validate the function of these technologies for long duration missions, such as Mars transit, while providing dietary variety to improve habitability.

Multilayered Functional Insulation System (MFIS) for AC Power Transmission in High Voltage Hybrid Electrical Propulsion

Science.gov (United States)

Lizcano, Maricela

2017-01-01

High voltage hybrid electric propulsion systems are now pushing new technology development efforts for air transportation. A key challenge in hybrid electric aircraft is safe high voltage distribution and transmission of megawatts of power (>20 MW). For the past two years, a multidisciplinary materials research team at NASA Glenn Research Center has investigated the feasibility of distributing high voltage power on future hybrid electric aircraft. This presentation describes the team's approach to addressing this challenge, significant technical findings, and next steps in GRC's materials research effort for MW power distribution on aircraft.

Using Protein Dimers to Maximize the Protein Hybridization Efficiency with Multisite DNA Origami Scaffolds.

Directory of Open Access Journals (Sweden)

Vikash Verma

Full Text Available DNA origami provides a versatile platform for conducting 'architecture-function' analysis to determine how the nanoscale organization of multiple copies of a protein component within a multi-protein machine affects its overall function. Such analysis requires that the copy number of protein molecules bound to the origami scaffold exactly matches the desired number, and that it is uniform over an entire scaffold population. This requirement is challenging to satisfy for origami scaffolds with many protein hybridization sites, because it requires the successful completion of multiple, independent hybridization reactions. Here, we show that a cleavable dimerization domain on the hybridizing protein can be used to multiplex hybridization reactions on an origami scaffold. This strategy yields nearly 100% hybridization efficiency on a 6-site scaffold even when using low protein concentration and short incubation time. It can also be developed further to enable reliable patterning of a large number of molecules on DNA origami for architecture-function analysis.

Anatase TiO{sub 2} nanowires functionalized by organic sensitizers for solar cells: A screened Coulomb hybrid density functional study

Energy Technology Data Exchange (ETDEWEB)

Ünal, Hatice; Mete, Ersen, E-mail: emete@balikesir.edu.tr [Deparment of Physics, Balikesir University, Balikesir 10145 (Turkey); Gunceler, Deniz [Deparment of Physics, Cornell University, Ithaca, New York 14853 (United States); Gülseren, Oğuz [Department of Physics, Bilkent University, Ankara 06800 (Turkey); Ellialtioğlu, Şinasi [Basic Sciences, TED University, Ankara 06420 (Turkey)

2015-11-21

The adsorption of two different organic molecules cyanidin glucoside (C{sub 21}O{sub 11}H{sub 20}) and TA-St-CA on anatase (101) and (001) nanowires has been investigated using the standard and the range separated hybrid density functional theory calculations. The electronic structures and optical spectra of resulting dye–nanowire combined systems show distinct features for these types of photochromophores. The lowest unoccupied molecular orbital of the natural dye cyanidin glucoside is located below the conduction band of the semiconductor while, in the case of TA-St-CA, it resonates with the states inside the conduction band. The wide-bandgap anatase nanowires can be functionalized for solar cells through electron-hole generation and subsequent charge injection by these dye sensitizers. The intermolecular charge transfer character of Donor-π-Acceptor type dye TA-St-CA is substantially modified by its adsorption on TiO{sub 2} surfaces. Cyanidin glucoside exhibits relatively stronger anchoring on the nanowires through its hydroxyl groups. The atomic structures of dye–nanowire systems re-optimized with the inclusion of nonlinear solvation effects showed that the binding strengths of both dyes remain moderate even in ionic solutions.

Structural, electronic and optical properties of silver delafossite oxides: A first-principles study with hybrid functional

International Nuclear Information System (INIS)

Kumar, Mukesh; Persson, Clas

2013-01-01

Ternary delafossite compounds are potential materials for optoelectronic devices. Employing a first-principles method, we calculate the structural, electronic, and optical properties of the silver based compounds AgMO 2 (M=Al, Ga or In), which crystallize in delafossite structure. Our calculations show that these AgMO 2 oxides have indirect band gaps and the gap energies are in the region of 1.6–3.0 eV whereas, the lowest direct band gap energies are estimated in the range of 2.6–4.3 eV. Furthermore, we find that AgMO 2 compounds exhibit a strong anisotropy for the dielectric function and absorption spectra. The absorption onset for these compounds occurs well above the band gap energies. Overall, we show that the hybrid functional improves the lattice parameters and band gap energies and the calculated values are in good agreement with the experimental values

Piezoelectric touch-sensitive flexible hybrid energy harvesting nanoarchitectures

International Nuclear Information System (INIS)

Choi, Dukhyun; Kim, Eok Su; Kim, Tae Sang; Lee, Sang Yoon; Choi, Jae-Young; Kim, Jong Min; Lee, Keun Young; Lee, Kang Hyuck; Kim, Sang-Woo

2010-01-01

In this work, we report a flexible hybrid nanoarchitecture that can be utilized as both an energy harvester and a touch sensor on a single platform without any cross-talk problems. Based on the electron transport and piezoelectric properties of a zinc oxide (ZnO) nanostructured thin film, a hybrid cell was designed and the total thickness was below 500 nm on a plastic substrate. Piezoelectric touch signals were demonstrated under independent and simultaneous operations with respect to photo-induced charges. Different levels of piezoelectric output signals from different magnitudes of touching pressures suggest new user-interface functions from our hybrid cell. From a signal controller, the decoupled performance of a hybrid cell as an energy harvester and a touch sensor was confirmed. Our hybrid approach does not require additional assembly processes for such multiplex systems of an energy harvester and a touch sensor since we utilize the coupled material properties of ZnO and output signal processing. Furthermore, the hybrid cell can provide a multi-type energy harvester by both solar and mechanical touching energies.

Uncertain Quality Function Deployment Using a Hybrid Group Decision Making Model

Directory of Open Access Journals (Sweden)

Ze-Ling Wang

2016-11-01

Full Text Available Quality function deployment (QFD is a widely used quality system tool for translating customer requirements (CRs into the engineering design requirements (DRs of products or services. The conventional QFD analysis, however, has been criticized as having some limitations such as in the assessment of relationships between CRs and DRs, the determination of CR weights and the prioritization of DRs. This paper aims to develop a new hybrid group decision-making model based on hesitant 2-tuple linguistic term sets and an extended QUALIFLEX (qualitative flexible multiple criteria method approach for handling QFD problems with incomplete weight information. First, hesitant linguistic term sets are combined with interval 2-tuple linguistic variables to express various uncertainties in the assessment information of QFD team members. Borrowing the idea of grey relational analysis (GRA, a multiple objective optimization model is constructed to determine the relative weights of CRs. Then, an extended QUALIFLEX approach with an inclusion comparison method is suggested to determine the ranking of the DRs identified in QFD. Finally, an analysis of a market segment selection problem is conducted to demonstrate and validate the proposed QFD approach.

An analysis of calcium carbonate/polymer hybrid crystals applying contrast variation SANS

International Nuclear Information System (INIS)

Endo, Hitoshi; Schwahn, Dietmar; Coelfen, Helmut

2004-01-01

The geometry of calcium carbonate (CaCO 3 )/polymer hybrid crystals was investigated by means of the contrast variation small angle neutron scattering. Our sophisticated contrast variation method led to decomposition of the measured scattering intensities into partial scattering functions of each component. These decomposed partial scattering functions gave detailed information on each component in the hybrid particle. Especially, on the basis of the Babinet principle (or incompressibility hypothesis), the comparison of the cross terms led to the relationships of each scattering amplitude. In this way, we could determine the geometry of the hybrid crystals in detail

An analysis of calcium carbonate/polymer hybrid crystals applying contrast variation SANS

Energy Technology Data Exchange (ETDEWEB)

Endo, Hitoshi; Schwahn, Dietmar; Coelfen, Helmut

2004-07-15

The geometry of calcium carbonate (CaCO{sub 3})/polymer hybrid crystals was investigated by means of the contrast variation small angle neutron scattering. Our sophisticated contrast variation method led to decomposition of the measured scattering intensities into partial scattering functions of each component. These decomposed partial scattering functions gave detailed information on each component in the hybrid particle. Especially, on the basis of the Babinet principle (or incompressibility hypothesis), the comparison of the cross terms led to the relationships of each scattering amplitude. In this way, we could determine the geometry of the hybrid crystals in detail.

Hybrid Warfare Studies and Russia’s Example in Crimea

Directory of Open Access Journals (Sweden)

Mehmet Seyfettin EROL

2015-12-01

Full Text Available Although Hybrid Warfare is an old concept, theoretical studies in the western countries mainly began in the post-Col War era, focusing on asymmetrical threats against conventional superiority of western countries such as USA or Israel. September 11th attacks and 2006 Israel-Lebanon war played important roles for the evolution of hybrid warfare theories. However, there has not any consensus among scholars on a exact or unique definition of hybrid warfare. Hybrid warfare became one of the main security issues for the West and especially for NATO after the Russia-Ukraine crisis. Russian military strategies, called “hybrid warfare” by the western countries, resulted in the successful annexation of Crimea and, caused a serious security problem for the West resulting important structural and functional changes for the military system of NATO. Russian activities, which have been based on surprise, ambiguity and deniability, presented a unique example for hybrid warfare studies.

Hybrid circuit prototypes for the CMS Tracker upgrade front-end electronics

International Nuclear Information System (INIS)

Blanchot, G; Honma, A; Kovacs, M; Braga, D; Raymond, M

2013-01-01

New high-density interconnect hybrid circuits are under development for the CMS tracker modules at the HL-LHC. These hybrids will provide module connectivity between flip-chip front-end ASICs, strip sensors and a service board for the data transmission and powering. Rigid organic-based substrate prototypes and also a flexible hybrid design have been built, containing up to eight front-end flip chip ASICs. A description of the function of the hybrid circuit in the tracker, the first prototype designs, results of some electrical and mechanical properties from the prototypes, and examples of the integration of the hybrids into detector modules are presented

variability of in vitro and phenological behaviours of cocoa hybrids

African Journals Online (AJOL)

ACSS

analyse the variability of the in vitro and phenological behaviours of 6 cocoa ... The 4 aforementioned hybrids could be used to produce cocoa aroma, ... hybrids using a multivariate approach. .... 3 clusters and variables was assessed through ... function, and (iv) analysis of the representation quality. Thus, the number of ...

Vegetative and adaptive traits predict different outcomes for restoration using hybrids

Directory of Open Access Journals (Sweden)

Philip Crystal

2016-11-01

Full Text Available Abstract – Hybridization has been implicated as a driver of speciation, extinction, and invasiveness, but can also provide resistant breeding stock following epidemics. However, evaluating the appropriateness of hybrids for use in restoration programs is difficult. Past the F1 generation, the proportion of a progenitor’s genome can vary widely, as can the combinations of parental genomes. Detailed genetic analysis can reveal this information, but cannot expose phenotypic alterations due to heterosis, transgressive traits, or changes in metabolism or development. In addition, because evolution is often driven by extreme individuals, decisions based on phenotypic averages of hybrid classes may have unintended results. We demonstrate a strategy to evaluate hybrids for use in restoration by visualizing hybrid phenotypes across selected groups of traits relative to both progenitor species. Specifically, we used discriminant analysis to differentiate among butternut (Juglans cinerea L., black walnut (J. nigra L., and Japanese walnut (J. ailantifolia Carr. var. cordiformis using vegetative characters and then with functional adaptive traits associated with seedling performance. When projected onto the progenitor trait space, naturally occurring hybrids (J. ×bixbyi Rehd. between butternut and Japanese walnut showed introgression towards Japanese walnut at vegetative characters but exhibited a hybrid swarm at functional traits. Both results indicate that hybrids have morphological and ecological phenotypes that distinguish them from butternut, demonstrating a lack of ecological equivalency that should not be carried into restoration breeding efforts. Despite these discrepancies, some hybrids were projected into the space occupied by butternut seedlings’ 95% confidence ellipse, signifying that some hybrids were similar at the measured traits. Determining how to consistently identify these individuals is imperative for future breeding and species

Hybrid cell adhesive material for instant dielectrophoretic cell trapping and long-term cell function assessment.

Science.gov (United States)

Reyes, Darwin R; Hong, Jennifer S; Elliott, John T; Gaitan, Michael

2011-08-16

Dielectrophoresis (DEP) for cell manipulation has focused, for the most part, on approaches for separation/enrichment of cells of interest. Advancements in cell positioning and immobilization onto substrates for cell culture, either as single cells or as cell aggregates, has benefited from the intensified research efforts in DEP (electrokinetic) manipulation. However, there has yet to be a DEP approach that provides the conditions for cell manipulation while promoting cell function processes such as cell differentiation. Here we present the first demonstration of a system that combines DEP with a hybrid cell adhesive material (hCAM) to allow for cell entrapment and cell function, as demonstrated by cell differentiation into neuronlike cells (NLCs). The hCAM, comprised of polyelectrolytes and fibronectin, was engineered to function as an instantaneous cell adhesive surface after DEP manipulation and to support long-term cell function (cell proliferation, induction, and differentiation). Pluripotent P19 mouse embryonal carcinoma cells flowing within a microchannel were attracted to the DEP electrode surface and remained adhered onto the hCAM coating under a fluid flow field after the DEP forces were removed. Cells remained viable after DEP manipulation for up to 8 d, during which time the P19 cells were induced to differentiate into NLCs. This approach could have further applications in areas such as cell-cell communication, three-dimensional cell aggregates to create cell microenvironments, and cell cocultures.

Fluid Petri Nets and hybrid model-checking: a comparative case study

International Nuclear Information System (INIS)

Gribaudo, M.; Horvath, A.; Bobbio, A.; Tronci, E.; Ciancamerla, E.; Minichino, M.

2003-01-01

The modeling and analysis of hybrid systems is a recent and challenging research area which is actually dominated by two main lines: a functional analysis based on the description of the system in terms of discrete state (hybrid) automata (whose goal is to ascertain conformity and reachability properties), and a stochastic analysis (whose aim is to provide performance and dependability measures). This paper investigates a unifying view between formal methods and stochastic methods by proposing an analysis methodology of hybrid systems based on Fluid Petri Nets (FPNs). FPNs can be analyzed directly using appropriate tools. Our paper shows that the same FPN model can be fed to different functional analyzers for model checking. In order to extensively explore the capability of the technique, we have converted the original FPN into languages for discrete as well as hybrid as well as stochastic model checkers. In this way, a first comparison among the modeling power of well known tools can be carried out. Our approach is illustrated by means of a 'real world' hybrid system: the temperature control system of a co-generative plant

Origin of Reversible Photoinduced Phase Separation in Hybrid Perovskites

Science.gov (United States)

Bischak, Connor G.; Hetherington, Craig L.; Wu, Hao; Aloni, Shaul; Ogletree, D. Frank; Limmer, David T.; Ginsberg, Naomi S.

2017-02-01

Nonequilibrium processes occurring in functional materials can significantly impact device efficiencies and are often difficult to characterize due to the broad range of length and time scales involved. In particular, mixed halide hybrid perovskites are promising for optoelectronics, yet the halides reversibly phase separate when photo-excited, significantly altering device performance. By combining nanoscale imaging and multiscale modeling, we elucidate the mechanism underlying this phenomenon, demonstrating that local strain induced by photo-generated polarons promotes halide phase separation and leads to nucleation of light-stabilized iodide-rich clusters. This effect relies on the unique electromechanical properties of hybrid materials, characteristic of neither their organic nor inorganic constituents alone. Exploiting photo-induced phase separation and other nonequilibrium phenomena in hybrid materials, generally, could enable new opportunities for expanding the functional applications in sensing, photoswitching, optical memory, and energy storage.

Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2 phases is not correct

KAUST Repository

Grau-Crespo, Ricardo; Schwingenschlö gl, Udo; Wang, Hao

2012-01-01

In contrast with recent claims that the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional can provide a good description of the electronic and magnetic structures of VO2 phases, we show here that the HSE lowest-energy solutions for both the low-temperature monoclinic (M1) phase and the high-temperature rutile (R) phase, which are obtained upon inclusion of spin polarization, are at odds with experimental observations. For the M1 phase the ground state is (but should not be) magnetic, while the ground state of the R phase, which is also spin polarized, is not (but should be) metallic. The energy difference between the low-temperature and high-temperature phases has strong discrepancies with the experimental latent heat.

Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2 phases is not correct

KAUST Repository

Grau-Crespo, Ricardo

2012-08-06

In contrast with recent claims that the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional can provide a good description of the electronic and magnetic structures of VO2 phases, we show here that the HSE lowest-energy solutions for both the low-temperature monoclinic (M1) phase and the high-temperature rutile (R) phase, which are obtained upon inclusion of spin polarization, are at odds with experimental observations. For the M1 phase the ground state is (but should not be) magnetic, while the ground state of the R phase, which is also spin polarized, is not (but should be) metallic. The energy difference between the low-temperature and high-temperature phases has strong discrepancies with the experimental latent heat.

Testing of January Anomaly at ISE-100 Index with Power Ratio Method

Directory of Open Access Journals (Sweden)

Şule Yüksel Yiğiter

2015-12-01

Full Text Available AbstractNone of investors that can access all informations in the same ratio is not possible to earn higher returns according to Efficient Market Hypothesis. However, it has been set forth effect of time on returns in several studies and reached conflicting conclusions with hypothesis. In this context, one of the most important existing anomalies is also January month anomaly. In this study, it has been researched that if there is  January effect in BIST-100 index covering 2008-2014 period by using power ratio method. The presence of January month anomaly in BIST-100 index within specified period determined by analysis results.Keywords: Efficient Markets Hypothesis, January Month Anomaly, Power Ratio MethodJEL Classification Codes: G1,C22

Potential of hybrid functionalized meso-porous materials for the separation and immobilization of radionuclides

International Nuclear Information System (INIS)

Luca, V.

2013-01-01

Functionalized meso-porous materials are a class of hybrid organic-inorganic material in which a meso-porous metal oxide framework is functionalized with multifunctional organic molecules. These molecules may contain one or more anchor groups that form strong bonds to the pore surfaces of the metal oxide framework and free functional groups that can impart and or modify the functionality of the material such as for binding metal ions in solution. Such materials have been extensively studied over the past decade and are of particular interest in absorption applications because of the tremendous versatility in choosing the composition and architecture of the metal oxide framework and the nature of the functional organic molecule as well as the efficient mass transfer that can occur through a well-designed hierarchically porous network. A sorbent for nuclear applications would have to be highly selective for particular radio nuclides, it would need to be hydrolytically and radiolytically stable, and it would have to possess reasonable capacity and fast kinetics. The sorbent would also have to be available in a form suitable for use in a column. Finally, it would also be desirable if once saturated with radio nuclides, the sorbent could be recycled or converted directly into a ceramic or glass waste form suitable for direct repository disposal or even converted directly into a material that could be used as a transmutation target. Such a cradle-to- grave strategy could have many benefits in so far as process efficiency and the generation of secondary wastes are concerned.This paper will provide an overview of work done on all of the above mentioned aspects of the development of functionalized meso-porous adsorbent materials for the selective separation of lanthanides and actinides and discuss the prospects for future implementation of a cradle-to-grave strategy with such materials. (author)

Corn stover fractions as a function of hybrid, maturity, site and year

Energy Technology Data Exchange (ETDEWEB)

Lizotte, P.L. [Laval Univ., Quebec City, PQ (Canada). Dept. des sols et de genie agroalimentaire; Savoie, P. [Agriculture and Agri-Food Canada, Quebec City, PQ (Canada); Lefsrud, M. [McGill Univ., Macdonald College, Ste-Anne-de-Bellevue, PQ (Canada). Dept. of Biosystems Engineering

2010-07-01

Corn stover is usually left on the ground following corn harvest so that it can be incorporated into the soil as organic matter and to protect against erosion. Part of the corn stover is oxidized in the atmosphere. Corn stover represents between 40 and 50 per cent of the dry matter (DM) contained in the aerial biomass of corn plants. Recent studies have shown that half of the corn stover could be harvested sustainably on low-sloping land under no-till practice. In Quebec, where 400,000 ha of corn are planted each year, corn stover could provide one million t DM of currently neglected biomass. Various hybrids of corn were monitored from early September to late November at 4 different sites during 2007, 2008 and 2009. Whole plants cut at 100 mm above the ground were collected weekly and separated into 7 fractions, notably the grain, the cob, the husk, the stalk below the ear, the stalk above the ear, the leaves below the ear and the leaves above the ear. In 2007, corn ears on average, were at 0.96 m above the ground at a site with low crop heat units (CHU). Hybrids grown in a warmer site were taller and their ears were 1.21 m above the ground. The DM partitioned in 7 components was 54 per cent grain, 14 per cent bottom stalk, 6 per cent top stalk, 5 per cent bottom leaves, 7 per cent top leaves, 5 per cent husk and 9 per cent cob. The total mass of fibre during harvest decreased from 8.9 to 6.6 t DM/ha for a low CHU hybrid and from 9.3 to 8.3 t DM/ha for a high CHU hybrid. Grain yield increased in 2008 from 3.8 to 7.6 t DM/ha over a 12-week period.

Innovative hybrid biological reactors using membranes

International Nuclear Information System (INIS)

Diez, R.; Esteban-Garcia, A. L.; Florio, L. de; Rodriguez-Hernandez, L.; Tejero, I.

2011-01-01

In this paper we present two lines of research on hybrid reactors including the use of membranes, although with different functions: RBPM, biofilm reactors and membranes filtration RBSOM, supported biofilm reactors and oxygen membranes. (Author) 14 refs.

Theoretical investigation of pressure-induced structural transitions in americium using GGA+U and hybrid density functional theory methods

DEFF Research Database (Denmark)

Verma, Ashok K.; Modak, P.; Sharma, Surinder M.

2013-01-01

First-principles calculations have been performed for americium (Am) metal using the generalized gradient approximation + orbital-dependent onsite Coulomb repulsion via Hubbard interaction (GGA+U) and hybrid density functional theory (HYB-DFT) methods to investigate various ground state properties......-I to Am-II transition. Good agreement was found between calculated and experimental equations of states for all phases, but the first three phases need larger U (α) parameters (where α represents the fraction of Hartree-Fock exchange energy replacing the DFT exchange energy) than the fourth phase in order...

Oxygen defects in amorphous Al{sub 2}O{sub 3}: A hybrid functional study

Energy Technology Data Exchange (ETDEWEB)

Guo, Zhendong, E-mail: zhendong.guo@epfl.ch; Ambrosio, Francesco; Pasquarello, Alfredo [Chaire de Simulation à l' Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

2016-08-08

The electronic properties of the oxygen vacancy and interstitial in amorphous Al{sub 2}O{sub 3} are studied via ab initio molecular dynamics simulations and hybrid functional calculations. Our results indicate that these defects do not occur in amorphous Al{sub 2}O{sub 3}, due to structural rearrangements which assimilate the defect structure and cause a delocalization of the associated defect levels. The imbalance of oxygen leads to a nonstoichiometric compound in which the oxygen occurs in the form of O{sup 2–} ions. Intrinsic oxygen defects are found to be unable to trap excess electrons. For low Fermi energies, the formation of peroxy linkages is found to be favored leading to the capture of holes. The relative +2/0 defect levels occur at 2.5 eV from the valence band.

Synthesis of hybrid cellulose nanocomposite bonded with dopamine SiO2/TiO2 and its antimicrobial activity

Science.gov (United States)

Ramesh, Sivalingam; Kim, Gwang-Hoon; Kim, Jaehwan; Kim, Joo-Hyung

2015-04-01

Organic-inorganic hybrid material based cellulose was synthesized by the sol-gel approach. The explosion of activity in this area in the past decade has made tremendous progress in industry or academic both fundamental understanding of sol-gel process and applications of new functionalized hybrid materials. In this present research work, we focused on cellulose-dopamine functionalized SiO2/TiO2 hybrid nanocomposite by sol-gel process. The cellulose-dopamine hybrid nanocomposite was synthesized via γ-aminopropyltriethoxysilane (γ-APTES) coupling agent by in-situ sol-gel process. The chemical structure of cellulose-amine functionalized dopamine bonding to cellulose structure with covalent cross linking hybrids was confirmed by FTIR spectral analysis. The morphological analysis of cellulose-dopamine nanoSiO2/TiO2 hybrid nanocomposite materials was characterized by XRD, SEM and TEM. From this different analysis results indicate that the optical transparency, thermal stability, control morphology of cellulose-dopamine-SiO2/TiO2 hybrid nanocomposite. Furthermore cellulose-dopamine-SiO2/TiO2 hybrid nanocomposite was tested against pathogenic bacteria for antimicrobial activity.

Study on hybrid multi-objective optimization algorithm for inverse treatment planning of radiation therapy

International Nuclear Information System (INIS)

Li Guoli; Song Gang; Wu Yican

2007-01-01

Inverse treatment planning for radiation therapy is a multi-objective optimization process. The hybrid multi-objective optimization algorithm is studied by combining the simulated annealing(SA) and genetic algorithm(GA). Test functions are used to analyze the efficiency of algorithms. The hybrid multi-objective optimization SA algorithm, which displacement is based on the evolutionary strategy of GA: crossover and mutation, is implemented in inverse planning of external beam radiation therapy by using two kinds of objective functions, namely the average dose distribution based and the hybrid dose-volume constraints based objective functions. The test calculations demonstrate that excellent converge speed can be achieved. (authors)

Covercrete with hybrid functions - A novel approach to durable reinforced concrete structures

Energy Technology Data Exchange (ETDEWEB)

Tang, L.; Zhang, E.Q. [Chalmers University of Technology, SE-412 96 Gothenburg (Sweden); Fu, Y. [KTH Royal Institute of Technology, SE-106 91 Stockholm (Sweden); Schouenborg, B.; Lindqvist, J.E. [CBI Swedish Cement and Concrete Research Institute, c/o SP, Box 857, SE-501 15 Boraas (Sweden)

2012-12-15

Due to the corrosion of steel in reinforced concrete structures, the concrete with low water-cement ratio (w/c), high cement content, and large cover thickness is conventionally used for prolonging the passivation period of steel. Obviously, this conventional approach to durable concrete structures is at the sacrifice of more CO{sub 2} emission and natural resources through consuming higher amount of cement and more constituent materials, which is against sustainability. By placing an economically affordable conductive mesh made of carbon fiber or conductive polymer fiber in the near surface zone of concrete acting as anode we can build up a cathodic prevention system with intermittent low current density supplied by, e.g., the solar cells. In such a way, the aggressive negative ions such as Cl{sup -}, CO{sub 3}{sup 2-}, and SO{sub 4}{sup 2-} can be stopped near the cathodic (steel) zone. Thus the reinforcement steel is prevented from corrosion even in the concrete with relatively high w/c and small cover thickness. This conductive mesh functions not only as electrode, but also as surface reinforcement to prevent concrete surface from cracking. Therefore, this new type of covercrete has hybrid functions. This paper presents the theoretical analysis of feasibility of this approach and discusses the potential durability problems and possible solutions to the potential problems. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Design of novel hybrid organic-inorganic nanostructured biomaterials for immunoassay applications

Energy Technology Data Exchange (ETDEWEB)

Andrade, G [Department of Microbiology, Institute of Biological Sciences, Federal University of Minas Gerais, PO Box 486, 31270.901, Belo Horizonte, MG (Brazil); Barbosa-Stancioli, E F [Department of Microbiology, Institute of Biological Sciences, Federal University of Minas Gerais, PO Box 486, 31270.901, Belo Horizonte, MG (Brazil); Piscitelli Mansur, A A [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil); Vasconcelos, W L [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil); Mansur, H S [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil)

2006-12-01

The purpose of this study was to develop novel hybrid organic-inorganic materials based on poly(vinyl alcohol) (PVA) polymer chemically crosslinked network to be tested as solid support on bovine herpesvirus immunoassay. Hybrids were synthesized by reacting PVA with three different alkoxysilanes modifying chemical groups: tetraethoxysilane (TEOS), 3-mercaptopropyltrimethoxysilane (MPTMS) and 3-glycidoxypropyltrimethoxysilane (GPTMS). PVA-derived hybrids were also modified by chemically crosslinking with glutaraldehyde (GA) during the synthesis reaction. In order to investigate the structure in the nanometer-scale, PVA-derived hybrids were characterized by using small-angle x-ray scattering synchrotron radiation (SAXS) and x-ray diffraction (XRD). PVA hybrids' chemical functionalities and their interaction with herpesviruses were also characterized by Fourier transform infrared spectroscopy (FTIR). The bioactivity assays were tested through enzyme linked immunosorbent assay (ELISA). SAXS results have indicated nano-ordered disperse domains for PVA hybrids with different x-ray scattering patterns for PVA polymer and PVA-derived hybrids. FTIR spectra have shown major vibration bands associated with organic-inorganic chemical groups present in the PVA, PVA-derived by silane modifier and PVA chemically crosslinked by GA. The immunoassay results have shown that PVA hybrids with chemically functionalized structures regulated to some extent the specific bioimmobilization of herpesvirus onto solid phase. We think that it is due to the overall balance of forces associated with van der Waals interaction, hydrophilic and hydrophobic forces and steric hindrance acting at the surface. PVA and PVA-derived hybrid materials were successfully produced with GA crosslinking in a nanometer-scale network. Also, such a PVA-based material could be advantageously used in immunoassays with enhanced specificity for diagnosis.

Design of novel hybrid organic-inorganic nanostructured biomaterials for immunoassay applications

Energy Technology Data Exchange (ETDEWEB)

Andrade, G [Department of Microbiology, Institute of Biological Sciences, Federal University of Minas Gerais, PO Box 486, 31270.901, Belo Horizonte, MG (Brazil); Barbosa-Stancioli, E F [Department of Microbiology, Institute of Biological Sciences, Federal University of Minas Gerais, PO Box 486, 31270.901, Belo Horizonte, MG (Brazil); Piscitelli Mansur, A A [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil); Vasconcelos, W L [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil); Mansur, H S [Department of Metallurgical and Materials Engineering, Biomaterials and Tissue Engineering Laboratory, Federal University of Minas Gerais, Belo Horizonte, MG (Brazil)

2006-12-01

The purpose of this study was to develop novel hybrid organic-inorganic materials based on poly(vinyl alcohol) (PVA) polymer chemically crosslinked network to be tested as solid support on bovine herpesvirus immunoassay. Hybrids were synthesized by reacting PVA with three different alkoxysilanes modifying chemical groups: tetraethoxysilane (TEOS), 3-mercaptopropyltrimethoxysilane (MPTMS) and 3-glycidoxypropyltrimethoxysilane (GPTMS). PVA-derived hybrids were also modified by chemically crosslinking with glutaraldehyde (GA) during the synthesis reaction. In order to investigate the structure in the nanometer-scale, PVA-derived hybrids were characterized by using small-angle x-ray scattering synchrotron radiation (SAXS) and x-ray diffraction (XRD). PVA hybrids' chemical functionalities and their interaction with herpesviruses were also characterized by Fourier transform infrared spectroscopy (FTIR). The bioactivity assays were tested through enzyme linked immunosorbent assay (ELISA). SAXS results have indicated nano-ordered disperse domains for PVA hybrids with different x-ray scattering patterns for PVA polymer and PVA-derived hybrids. FTIR spectra have shown major vibration bands associated with organic-inorganic chemical groups present in the PVA, PVA-derived by silane modifier and PVA chemically crosslinked by GA. The immunoassay results have shown that PVA hybrids with chemically functionalized structures regulated to some extent the specific bioimmobilization of herpesvirus onto solid phase. We think that it is due to the overall balance of forces associated with van der Waals interaction, hydrophilic and hydrophobic forces and steric hindrance acting at the surface. PVA and PVA-derived hybrid materials were successfully produced with GA crosslinking in a nanometer-scale network. Also, such a PVA-based material could be advantageously used in immunoassays with enhanced specificity for diagnosis.

Lower hybrid current drive in shaped tokamaks

International Nuclear Information System (INIS)

Kesner, J.

1993-01-01

A time dependent lower hybrid current drive tokamak simulation code has been developed. This code combines the BALDUR tokamak simulation code and the Bonoli/Englade lower hybrid current drive code and permits the study of the interaction of lower hybrid current drive with neutral beam heating in shaped cross-section plasmas. The code is time dependent and includes the beam driven and bootstrap currents in addition to the current driven by the lower hybrid system. Examples of simulations are shown for the PBX-M experiment which include the effect of cross section shaping on current drive, ballooning mode stabilization by current profile control and sawtooth stabilization. A critical question in current drive calculations is the radial transport of the energetic electrons. The authors have developed a response function technique to calculate radial transport in the presence of an electric field. The consequences of the combined influences of radial diffusion and electric field acceleration are discussed

Characterization of hybrid self-powered neutron detector under neutron irradiation

CERN Document Server

Nakamichi, M; Yamamura, C; Nakazawa, M; Kawamura, H

2000-01-01

To evaluate the irradiation behaviour of a blanket mock-up on in-pile functional test, it is necessary to measure the neutron flux change in the in-pile mock-up by a neutron detector, such as the self-powered neutron detector (SPND). With its small-sized emitter, which has high sensitivity and fast response time, SPND is an indispensable tool in order to measure the local neutron flux change. In the case of an in-pile functional test, it is necessary that response time is less than 1s and ratio of SPND output current is more than 0.3 of output current of SPND with Rh emitter. Therefore, a hybrid SPND with high sensitivity and fast response time was developed. This hybrid SPND used a hybrid emitter, i.e. Co cladded Pt-13%Rh.

Marine Fish Hybridization

KAUST Repository

He, Song

2017-04-01

Natural hybridization is reproduction (without artificial influence) between two or more species/populations which are distinguishable from each other by heritable characters. Natural hybridizations among marine fishes were highly underappreciated due to limited research effort; it seems that this phenomenon occurs more often than is commonly recognized. As hybridization plays an important role in biodiversity processes in the marine environment, detecting hybridization events and investigating hybridization is important to understand and protect biodiversity. The first chapter sets the framework for this disseration study. The Cohesion Species Concept was selected as the working definition of a species for this study as it can handle marine fish hybridization events. The concept does not require restrictive species boundaries. A general history and background of natural hybridization in marine fishes is reviewed during in chapter as well. Four marine fish hybridization cases were examed and documented in Chapters 2 to 5. In each case study, at least one diagnostic nuclear marker, screened from among ~14 candidate markers, was found to discriminate the putative hybridizing parent species. To further investigate genetic evidence to support the hybrid status for each hybrid offspring in each case, haploweb analysis on diagnostic markers (nuclear and/or mitochondrial) and the DAPC/PCA analysis on microsatellite data were used. By combining the genetic evidences, morphological traits, and ecological observations together, the potential reasons that triggered each hybridization events and the potential genetic/ecology effects could be discussed. In the last chapter, sequences from 82 pairs of hybridizing parents species (for which COI barcoding sequences were available either on GenBank or in our lab) were collected. By comparing the COI fragment p-distance between each hybridizing parent species, some general questions about marine fish hybridization were discussed: Is

Exponential lag function projective synchronization of memristor-based multidirectional associative memory neural networks via hybrid control

Science.gov (United States)

Yuan, Manman; Wang, Weiping; Luo, Xiong; Li, Lixiang; Kurths, Jürgen; Wang, Xiao

2018-03-01

This paper is concerned with the exponential lag function projective synchronization of memristive multidirectional associative memory neural networks (MMAMNNs). First, we propose a new model of MMAMNNs with mixed time-varying delays. In the proposed approach, the mixed delays include time-varying discrete delays and distributed time delays. Second, we design two kinds of hybrid controllers. Traditional control methods lack the capability of reflecting variable synaptic weights. In this paper, the controllers are carefully designed to confirm the process of different types of synchronization in the MMAMNNs. Third, sufficient criteria guaranteeing the synchronization of system are derived based on the derive-response concept. Finally, the effectiveness of the proposed mechanism is validated with numerical experiments.

Hybrid materials of SBA-16 functionalized by rare earth (Eu3+, Tb3+) complexes of modified β-diketone (TTA and DBM): Covalently bonding assembly and photophysical properties

International Nuclear Information System (INIS)

Li Yajuan; Yan Bing; Li Ying

2010-01-01

Novel mesoporous SBA-16 type of hybrids TTA-S16 and DBM-S16 were synthesized by co-condensation of modified β-diketone (TTA-Si and DBM-Si, DBM=1,3-diphenyl-1,3- propanepione, TTA=2-thenoyltrifluoroacetone) and tetraethoxysilane (TEOS) in the presence of Pluronic F127 as template, which were confirmed by FTIR, XRD, 29 Si CP-MAS NMR, and N 2 adsorption measurements. Novel organic-inorganic mesoporous luminescent hybrid containing RE 3+ (Eu 3+ , Tb 3+ ) complexes covalently attached to the functionalized ordered mesoporous SBA-16 (TTA-S16 and DBM-S16), which were designated as bpy-RE-TTA-S16 and bpy-RE-DBM-S16, were obtained by sol-gel process. The luminescence properties of these resulting materials were characterized in detail, and the results reveal that mesoporous hybrid material bpy-Eu-TTA-S16 present stronger luminescent intensities, longer lifetimes, and higher luminescent quantum efficiencies than the corresponding DBM-containing materials bpy-Eu-DBM-S16, while bpy-Tb-DBM-S16 exhibit the stronger characteristic emission of Tb 3+ and longer lifetime than the corresponding TTA-containing materials bpy-Tb-TTA-S16. - Graphical abstract: Novel organic-inorganic mesoporous luminescent hybrids containing RE 3+ complex covalently attached to the β-diketone-functionalized ordered mesoporous SBA-16, which were designated as bpy-RE-TTA-S16 and bpy-RE-DBM-S16, were obtained by sol-gel process.

Hybrid density functional study on the mechanism for the enhanced photocatalytic properties of the ultrathin hybrid layered nanocomposite g-C3N4/BiOCl

Science.gov (United States)

Yao, Wenzhi; Zhang, Jihua; Wang, Yuanxu; Ren, Fengzhu

2018-03-01

To investigate the origin of the high photocatalytic performance of experimentally synthesized g-C3N4/ BiOCl, we studied its geometry structure, electronic structure, and photocatalytic properties by means of hybrid density-functional theory (DFT). The calculated band alignment of g-C3N4 and few-layer BiOCl sheets clearly shows that g-C3N4/ BiOCl is a standard type-II nanocomposite. The density of states, Bader charge, partial charge density, charge density difference, and the effective masses show that electron-hole pair can be effectively separated in the g-C3N4/BiOCl interface. The calculated absorption coefficients indicate an obvious redshift of the absorption edge. The band gap of g-C3N4/BiOCl can be modulated by external electric field, and a semiconductor-semimetal transition is observed. The type-II vdW heterostructure is still maintained during the changes of external electric field. Especially, when the electric field reaches to +0.7 V/Å, the impurity states have been eliminated with the band gap of 2.3 eV. An analysis of optical properties shows that the absorption coefficient in the visible-light region is enhanced considerably as the electric-field strength increases. Our calculation results suggest that the ultrathin hybrid layered g-C3N4/BiOCl nanocomposite may have significant advantages for visible-light photocatalysis.

Neighboring genes for DNA-binding proteins rescue male sterility in Drosophila hybrids.

Science.gov (United States)

Liénard, Marjorie A; Araripe, Luciana O; Hartl, Daniel L

2016-07-19

Crosses between closely related animal species often result in male hybrids that are sterile, and the molecular and functional basis of genetic factors for hybrid male sterility is of great interest. Here, we report a molecular and functional analysis of HMS1, a region of 9.2 kb in chromosome 3 of Drosophila mauritiana, which results in virtually complete hybrid male sterility when homozygous in the genetic background of sibling species Drosophila simulans. The HMS1 region contains two strong candidate genes for the genetic incompatibility, agt and Taf1 Both encode unrelated DNA-binding proteins, agt for an alkyl-cysteine-S-alkyltransferase and Taf1 for a subunit of transcription factor TFIID that serves as a multifunctional transcriptional regulator. The contribution of each gene to hybrid male sterility was assessed by means of germ-line transformation, with constructs containing complete agt and Taf1 genomic sequences as well as various chimeric constructs. Both agt and Taf1 contribute about equally to HMS1 hybrid male sterility. Transgenes containing either locus rescue sterility in about one-half of the males, and among fertile males the number of offspring is in the normal range. This finding suggests compensatory proliferation of the rescued, nondysfunctional germ cells. Results with chimeric transgenes imply that the hybrid incompatibilities result from interactions among nucleotide differences residing along both agt and Taf1 Our results challenge a number of preliminary generalizations about the molecular and functional basis of hybrid male sterility, and strongly reinforce the role of DNA-binding proteins as a class of genes contributing to the maintenance of postzygotic reproductive isolation.

Effect of Maize Hybrid Maturity and Grain Hardness on Fumonisin and Zearalenone Contamination

Directory of Open Access Journals (Sweden)

Amedeo Reyneri

2011-02-01

Full Text Available The level of resistance in commercial hybrids for Fusarium ear rot is still not in general adequate to prevent unacceptable toxin concentrations in field. The purpose of this experiment was to verify the behaviour of commercial dent maize hybrids for fumonisin and zearalenone contamination and to identify the variety traits that influence the production of these toxins. Field experiments were carried out in 2000, 2001 and 2002 to evaluate the effect of maize hybrid maturity and endosperm hardness on European Corn Borer (ECB incidence, fungal ear rot incidence and severity and on fumonisin B1 and zearalenone contents. Nineteen yellow soft commercial hybrids, from the 500, 600 and 700 FAO maturity groups, were compared in 4 sites in NW Italy. Hybrid were grouped in 3 endosperm hardness categories (hard, intermediate, soft in function of Hard/Soft (H/S endosperm ratio. No effect due to endosperm hardness or hybrid maturity on the ECB infestation or fungal ear rot incidence and severity was observed. Grain hardness significant influenced fumonisin B1 content: hard endosperm hybrids showed 50% lower contamination than soft hybrids. The presence of fumonisin B1 in the grain of different maturity hybrids only resulted to be significantly different in 2001 experiment, with a mean concentration 2 times higher in the later hybrids (FAO rating 700 compared to the medium and medium-late hybrids. The zearalenone content never resulted to be significantly different in function of the endosperm hardness, while, late maturing hybrids, in which grain moisture content decreases slowly below 30%, are more susceptible to zearalenone contamination. This research has highlighted the presence of variety traits that can influence mycotoxin contamination. An accurate choice of hybrid, considering the territorial and cultivation context, could contribute to achieve products, that contain mycotoxins, which do not exceed the maximum international and UE regulation levels.

Nanoscale Organic−Inorganic Hybrid Lubricants

KAUST Repository

Kim, Daniel

2011-03-15

Silica (SiO2) nanoparticles densely grafted with amphiphilic organic chains are used to create a family of organic-inorganic hybrid lubricants. Short sulfonate-functionalized alkylaryl chains covalently tethered to the particles form a dense corona brush that stabilizes them against aggregation. When these hybrid particles are dispersed in poly-α-olefin (PAO) oligomers, they form homogeneous nanocomposite fluids at both low and high particle loadings. By varying the volume fraction of the SiO2 nanostructures in the PAO nanocomposites, we show that exceptionally stable hybrid lubricants can be created and that their mechanical properties can be tuned to span the spectrum from simple liquids to complex gels. We further show that these hybrid lubricants simultaneously exhibit lower interfacial friction coefficients, enhanced wear and mechanical properties, and superior thermal stability in comparison with either PAO or its nanocomposites created at low nanoparticle loadings. Profilometry and energy dispersive X-ray spectroscopic analysis of the wear track show that the enhanced wear characteristics in PAO-SiO2 composite lubricants originate from two sources: localization of the SiO2 particles into the wear track and extension of the elastohydrodynamic lubrication regime to Sommerfeld numbers more than an order of magnitude larger than for PAO. © 2011 American Chemical Society.

Large-eddy simulation/Reynolds-averaged Navier-Stokes hybrid schemes for high speed flows

Science.gov (United States)

Xiao, Xudong

Three LES/RANS hybrid schemes have been proposed for the prediction of high speed separated flows. Each method couples the k-zeta (Enstrophy) BANS model with an LES subgrid scale one-equation model by using a blending function that is coordinate system independent. Two of these functions are based on turbulence dissipation length scale and grid size, while the third one has no explicit dependence on the grid. To implement the LES/RANS hybrid schemes, a new rescaling-reintroducing method is used to generate time-dependent turbulent inflow conditions. The hybrid schemes have been tested on a Mach 2.88 flow over 25 degree compression-expansion ramp and a Mach 2.79 flow over 20 degree compression ramp. A special computation procedure has been designed to prevent the separation zone from expanding upstream to the recycle-plane. The code is parallelized using Message Passing Interface (MPI) and is optimized for running on IBM-SP3 parallel machine. The scheme was validated first for a flat plate. It was shown that the blending function has to be monotonic to prevent the RANS region from appearing in the LES region. In the 25 deg ramp case, the hybrid schemes provided better agreement with experiment in the recovery region. Grid refinement studies demonstrated the importance of using a grid independent blend function and further improvement with experiment in the recovery region. In the 20 deg ramp case, with a relatively finer grid, the hybrid scheme characterized by grid independent blending function well predicted the flow field in both the separation region and the recovery region. Therefore, with "appropriately" fine grid, current hybrid schemes are promising for the simulation of shock wave/boundary layer interaction problems.

Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional

Science.gov (United States)

Mardirossian, Narbe; Head-Gordon, Martin

2018-06-01

A meta-generalized gradient approximation, range-separated double hybrid (DH) density functional with VV10 non-local correlation is presented. The final 14-parameter functional form is determined by screening trillions of candidate fits through a combination of best subset selection, forward stepwise selection, and random sample consensus (RANSAC) outlier detection. The MGCDB84 database of 4986 data points is employed in this work, containing a training set of 870 data points, a validation set of 2964 data points, and a test set of 1152 data points. Following an xDH approach, orbitals from the ωB97M-V density functional are used to compute the second-order perturbation theory correction. The resulting functional, ωB97M(2), is benchmarked against a variety of leading double hybrid density functionals, including B2PLYP-D3(BJ), B2GPPLYP-D3(BJ), ωB97X-2(TQZ), XYG3, PTPSS-D3(0), XYGJ-OS, DSD-PBEP86-D3(BJ), and DSD-PBEPBE-D3(BJ). Encouragingly, the overall performance of ωB97M(2) on nearly 5000 data points clearly surpasses that of all of the tested density functionals. As a Rung 5 density functional, ωB97M(2) completes our family of combinatorially optimized functionals, complementing B97M-V on Rung 3, and ωB97X-V and ωB97M-V on Rung 4. The results suggest that ωB97M(2) has the potential to serve as a powerful predictive tool for accurate and efficient electronic structure calculations of main-group chemistry.

Synthesis of Polythiophene–Fullerene Hybrid Additives as Potential Compatibilizers of BHJ Active Layers

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Sofia Kakogianni

2016-12-01

Full Text Available Perfluorophenyl functionalities have been introduced as side chain substituents onto regioregular poly(3-hexyl thiophene (rr-P3HT, under various percentages. These functional groups were then converted to azides which were used to create polymeric hybrid materials with fullerene species, either C60 or C70. The P3HT–fullerene hybrids thus formed were thereafter evaluated as potential compatibilizers of BHJ active layers comprising P3HT and fullerene based acceptors. Therefore, a systematic investigation of the optical and morphological properties of the purified polymer–fullerene hybrid materials was performed, via different complementary techniques. Additionally, P3HT:PC70BM blends containing various percentages of the herein synthesized hybrid material comprising rr-P3HT and C70 were investigated via Transmission Electron Microscopy (TEM in an effort to understand the effect of the hybrids as additives on the morphology and nanophase separation of this typically used active layer blend for OPVs.

Energy Optimization for a Weak Hybrid Power System of an Automobile Exhaust Thermoelectric Generator

Science.gov (United States)

Fang, Wei; Quan, Shuhai; Xie, Changjun; Tang, Xinfeng; Ran, Bin; Jiao, Yatian

2017-11-01

An integrated starter generator (ISG)-type hybrid electric vehicle (HEV) scheme is proposed based on the automobile exhaust thermoelectric generator (AETEG). An eddy current dynamometer is used to simulate the vehicle's dynamic cycle. A weak ISG hybrid bench test system is constructed to test the 48 V output from the power supply system, which is based on engine exhaust-based heat power generation. The thermoelectric power generation-based system must ultimately be tested when integrated into the ISG weak hybrid mixed power system. The test process is divided into two steps: comprehensive simulation and vehicle-based testing. The system's dynamic process is simulated for both conventional and thermoelectric powers, and the dynamic running process comprises four stages: starting, acceleration, cruising and braking. The quantity of fuel available and battery pack energy, which are used as target vehicle energy functions for comparison with conventional systems, are simplified into a single energy target function, and the battery pack's output current is used as the control variable in the thermoelectric hybrid energy optimization model. The system's optimal battery pack output current function is resolved when its dynamic operating process is considered as part of the hybrid thermoelectric power generation system. In the experiments, the system bench is tested using conventional power and hybrid thermoelectric power for the four dynamic operation stages. The optimal battery pack curve is calculated by functional analysis. In the vehicle, a power control unit is used to control the battery pack's output current and minimize energy consumption. Data analysis shows that the fuel economy of the hybrid power system under European Driving Cycle conditions is improved by 14.7% when compared with conventional systems.

Mathematical Modeling of Hybrid Electrical Engineering Systems

Directory of Open Access Journals (Sweden)

A. A. Lobaty

2016-01-01

Full Text Available A large class of systems that have found application in various industries and households, electrified transportation facilities and energy sector has been classified as electrical engineering systems. Their characteristic feature is a combination of continuous and discontinuous modes of operation, which is reflected in the appearance of a relatively new term “hybrid systems”. A wide class of hybrid systems is pulsed DC converters operating in a pulse width modulation, which are non-linear systems with variable structure. Using various methods for linearization it is possible to obtain linear mathematical models that rather accurately simulate behavior of such systems. However, the presence in the mathematical models of exponential nonlinearities creates considerable difficulties in the implementation of digital hardware. The solution can be found while using an approximation of exponential functions by polynomials of the first order, that, however, violates the rigor accordance of the analytical model with characteristics of a real object. There are two practical approaches to synthesize algorithms for control of hybrid systems. The first approach is based on the representation of the whole system by a discrete model which is described by difference equations that makes it possible to synthesize discrete algorithms. The second approach is based on description of the system by differential equations. The equations describe synthesis of continuous algorithms and their further implementation in a digital computer included in the control loop system. The paper considers modeling of a hybrid electrical engineering system using differential equations. Neglecting the pulse duration, it has been proposed to describe behavior of vector components in phase coordinates of the hybrid system by stochastic differential equations containing generally non-linear differentiable random functions. A stochastic vector-matrix equation describing dynamics of the

Intuitionistic hybrid logic

DEFF Research Database (Denmark)

Braüner, Torben

2011-01-01

Intuitionistic hybrid logic is hybrid modal logic over an intuitionistic logic basis instead of a classical logical basis. In this short paper we introduce intuitionistic hybrid logic and we give a survey of work in the area.......Intuitionistic hybrid logic is hybrid modal logic over an intuitionistic logic basis instead of a classical logical basis. In this short paper we introduce intuitionistic hybrid logic and we give a survey of work in the area....

Applications of in situ hybridization to plant-improvement

International Nuclear Information System (INIS)

Abbasi, F.M.

2004-01-01

In situ hybridization is a powerful method for characteristic alien addition and substitution lines. RFLP analysis can identify the presence of a particular individual chromosome, but whether they are as a pair or as a single chromosome cannot be determined. In situ hybridization has become established as an essential method in cell and molecular biology. It is able to link DNA sequences with their organization and physical position. The rate of technology-development in the field of in situ hybridization has been rapid: radioactive probes are now rarely used, while labeling methods, fluorochromes, chromosomes and tissue-preparation methods, microscope and imaging technology have all useful in functional genomics and localization of transgenes on the chromosomes. (author)

Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

Science.gov (United States)

Yen, Tsung-Wen; Lim, Thong-Leng; Yoon, Tiem-Leong; Lai, S. K.

2017-11-01

We combined a new parametrized density functional tight-binding (DFTB) theory (Fihey et al. 2015) with an unbiased modified basin hopping (MBH) optimization algorithm (Yen and Lai 2015) and applied it to calculate the lowest energy structures of Au clusters. From the calculated topologies and their conformational changes, we find that this DFTB/MBH method is a necessary procedure for a systematic study of the structural development of Au clusters but is somewhat insufficient for a quantitative study. As a result, we propose an extended hybridized algorithm. This improved algorithm proceeds in two steps. In the first step, the DFTB theory is employed to calculate the total energy of the cluster and this step (through running DFTB/MBH optimization for given Monte-Carlo steps) is meant to efficiently bring the Au cluster near to the region of the lowest energy minimum since the cluster as a whole has explicitly considered the interactions of valence electrons with ions, albeit semi-quantitatively. Then, in the second succeeding step, the energy-minimum searching process will continue with a skilledly replacement of the energy function calculated by the DFTB theory in the first step by one calculated in the full density functional theory (DFT). In these subsequent calculations, we couple the DFT energy also with the MBH strategy and proceed with the DFT/MBH optimization until the lowest energy value is found. We checked that this extended hybridized algorithm successfully predicts the twisted pyramidal structure for the Au40 cluster and correctly confirms also the linear shape of C8 which our previous DFTB/MBH method failed to do so. Perhaps more remarkable is the topological growth of Aun: it changes from a planar (n =3-11) → an oblate-like cage (n =12-15) → a hollow-shape cage (n =16-18) and finally a pyramidal-like cage (n =19, 20). These varied forms of the cluster's shapes are consistent with those reported in the literature.

Characterization of hybrid self-powered neutron detector under neutron irradiation

Energy Technology Data Exchange (ETDEWEB)

Nakamichi, M. E-mail: masaru@oarai.jaeri.go.jp; Nagao, Y.; Yamamura, C.; Nakazawa, M.; Kawamura, H

2000-11-01

To evaluate the irradiation behaviour of a blanket mock-up on in-pile functional test, it is necessary to measure the neutron flux change in the in-pile mock-up by a neutron detector, such as the self-powered neutron detector (SPND). With its small-sized emitter, which has high sensitivity and fast response time, SPND is an indispensable tool in order to measure the local neutron flux change. In the case of an in-pile functional test, it is necessary that response time is less than 1s and ratio of SPND output current is more than 0.3 of output current of SPND with Rh emitter. Therefore, a hybrid SPND with high sensitivity and fast response time was developed. This hybrid SPND used a hybrid emitter, i.e. Co cladded Pt-13%R000.

Hybrid imaging: Instrumentation and Data Processing

Science.gov (United States)

Cal-Gonzalez, Jacobo; Rausch, Ivo; Shiyam Sundar, Lalith K.; Lassen, Martin L.; Muzik, Otto; Moser, Ewald; Papp, Laszlo; Beyer, Thomas

2018-05-01

State-of-the-art patient management frequently requires the use of non-invasive imaging methods to assess the anatomy, function or molecular-biological conditions of patients or study subjects. Such imaging methods can be singular, providing either anatomical or molecular information, or they can be combined, thus, providing "anato-metabolic" information. Hybrid imaging denotes image acquisitions on systems that physically combine complementary imaging modalities for an improved diagnostic accuracy and confidence as well as for increased patient comfort. The physical combination of formerly independent imaging modalities was driven by leading innovators in the field of clinical research and benefited from technological advances that permitted the operation of PET and MR in close physical proximity, for example. This review covers milestones of the development of various hybrid imaging systems for use in clinical practice and small-animal research. Special attention is given to technological advances that helped the adoption of hybrid imaging, as well as to introducing methodological concepts that benefit from the availability of complementary anatomical and biological information, such as new types of image reconstruction and data correction schemes. The ultimate goal of hybrid imaging is to provide useful, complementary and quantitative information during patient work-up. Hybrid imaging also opens the door to multi-parametric assessment of diseases, which will help us better understand the causes of various diseases that currently contribute to a large fraction of healthcare costs.

Block copolymer-nanoparticle hybrid self-assembly

KAUST Repository

Hoheisel, Tobias N.; Hur, Kahyun; Wiesner, Ulrich B.

2015-01-01

© 2014 Published by Elsevier Ltd. Polymer-inorganic hybrid materials provide exciting opportunities as they may display favorable properties from both constituents that are desired in applications including catalysis and energy conversion and storage. For the preparation of hybrid materials with well-defined morphologies, block copolymer-directed nanoparticle hybrids present a particularly promising approach. As will be described in this review, once the fundamental characteristics for successful nanostructure formation at or close to the thermodynamic equilibrium of these nanocomposites are identified, the approach can be generalized to various materials classes. In addition to the discussion of recent materials developments based on the use of AB diblock copolymers as well as ABC triblock terpolymers, this review will therefore emphasize progress in the fundamental understanding of the underlying formation mechanisms of such hybrid materials. To this end, critical experiments for, as well as theoretical progress in the description of these nanostructured block copolymer-based hybrid materials will be discussed. Rather than providing a comprehensive overview, the review will emphasize work by the Wiesner group at Cornell University, US, on block copolymer-directed nanoparticle assemblies as well as their use in first potential application areas. The results provide powerful design criteria for wet-chemical synthesis methodologies for the generation of functional nanomaterials for applications ranging from microelectronics to catalysis to energy conversion and storage.

DNA hybridization sensor based on pentacene thin film transistor.

Science.gov (United States)

Kim, Jung-Min; Jha, Sandeep Kumar; Chand, Rohit; Lee, Dong-Hoon; Kim, Yong-Sang

2011-01-15

A DNA hybridization sensor using pentacene thin film transistors (TFTs) is an excellent candidate for disposable sensor applications due to their low-cost fabrication process and fast detection. We fabricated pentacene TFTs on glass substrate for the sensing of DNA hybridization. The ss-DNA (polyA/polyT) or ds-DNA (polyA/polyT hybrid) were immobilized directly on the surface of the pentacene, producing a dramatic change in the electrical properties of the devices. The electrical characteristics of devices were studied as a function of DNA immobilization, single-stranded vs. double-stranded DNA, DNA length and concentration. The TFT device was further tested for detection of λ-phage genomic DNA using probe hybridization. Based on these results, we propose that a "label-free" detection technique for DNA hybridization is possible through direct measurement of electrical properties of DNA-immobilized pentacene TFTs. Copyright © 2010 Elsevier B.V. All rights reserved.

Split-gene system for hybrid wheat seed production.

Science.gov (United States)

Kempe, Katja; Rubtsova, Myroslava; Gils, Mario

2014-06-24

Hybrid wheat plants are superior in yield and growth characteristics compared with their homozygous parents. The commercial production of wheat hybrids is difficult because of the inbreeding nature of wheat and the lack of a practical fertility control that enforces outcrossing. We describe a hybrid wheat system that relies on the expression of a phytotoxic barnase and provides for male sterility. The barnase coding information is divided and distributed at two loci that are located on allelic positions of the host chromosome and are therefore "linked in repulsion." Functional complementation of the loci is achieved through coexpression of the barnase fragments and intein-mediated ligation of the barnase protein fragments. This system allows for growth and maintenance of male-sterile female crossing partners, whereas the hybrids are fertile. The technology does not require fertility restorers and is based solely on the genetic modification of the female crossing partner.

Genomic networks of hybrid sterility.

Science.gov (United States)

Turner, Leslie M; White, Michael A; Tautz, Diethard; Payseur, Bret A

2014-02-01

Hybrid dysfunction, a common feature of reproductive barriers between species, is often caused by negative epistasis between loci ("Dobzhansky-Muller incompatibilities"). The nature and complexity of hybrid incompatibilities remain poorly understood because identifying interacting loci that affect complex phenotypes is difficult. With subspecies in the early stages of speciation, an array of genetic tools, and detailed knowledge of reproductive biology, house mice (Mus musculus) provide a model system for dissecting hybrid incompatibilities. Male hybrids between M. musculus subspecies often show reduced fertility. Previous studies identified loci and several X chromosome-autosome interactions that contribute to sterility. To characterize the genetic basis of hybrid sterility in detail, we used a systems genetics approach, integrating mapping of gene expression traits with sterility phenotypes and QTL. We measured genome-wide testis expression in 305 male F2s from a cross between wild-derived inbred strains of M. musculus musculus and M. m. domesticus. We identified several thousand cis- and trans-acting QTL contributing to expression variation (eQTL). Many trans eQTL cluster into eleven 'hotspots,' seven of which co-localize with QTL for sterility phenotypes identified in the cross. The number and clustering of trans eQTL-but not cis eQTL-were substantially lower when mapping was restricted to a 'fertile' subset of mice, providing evidence that trans eQTL hotspots are related to sterility. Functional annotation of transcripts with eQTL provides insights into the biological processes disrupted by sterility loci and guides prioritization of candidate genes. Using a conditional mapping approach, we identified eQTL dependent on interactions between loci, revealing a complex system of epistasis. Our results illuminate established patterns, including the role of the X chromosome in hybrid sterility. The integrated mapping approach we employed is applicable in a broad

Tuning TiO2 nanoparticle morphology in graphene-TiO2 hybrids by graphene surface modification

Science.gov (United States)

Sordello, Fabrizio; Zeb, Gul; Hu, Kaiwen; Calza, Paola; Minero, Claudio; Szkopek, Thomas; Cerruti, Marta

2014-05-01

We report the hydrothermal synthesis of graphene (GNP)-TiO2 nanoparticle (NP) hybrids using COOH and NH2 functionalized GNP as a shape controller. Anatase was the only TiO2 crystalline phase nucleated on the functionalized GNP, whereas traces of rutile were detected on unfunctionalized GNP. X-Ray Photoelectron spectroscopy (XPS) showed C-Ti bonds on all hybrids, thus confirming heterogeneous nucleation. GNP functionalization induced the nucleation of TiO2 NPs with specific shapes and crystalline facets exposed. COOH functionalization directed the synthesis of anatase truncated bipyramids, bonded to graphene sheets via the {101} facets, while NH2 functionalization induced the formation of belted truncated bipyramids, bonded to graphene via the {100} facets. Belted truncated bipyramids formed on unfunctionalized GNP too, however the NPs were more irregular and rounded. These effects were ascribed to pH variations in the proximity of the functionalized GNP sheets, due to the high density of COOH or NH2 groups. Because of the different reactivity of anatase {100} and {101} crystalline facets, we hypothesize that the hybrid materials will behave differently as photocatalysts, and that the COOH-GNP-TiO2 hybrids will be better photocatalysts for water splitting and H2 production.We report the hydrothermal synthesis of graphene (GNP)-TiO2 nanoparticle (NP) hybrids using COOH and NH2 functionalized GNP as a shape controller. Anatase was the only TiO2 crystalline phase nucleated on the functionalized GNP, whereas traces of rutile were detected on unfunctionalized GNP. X-Ray Photoelectron spectroscopy (XPS) showed C-Ti bonds on all hybrids, thus confirming heterogeneous nucleation. GNP functionalization induced the nucleation of TiO2 NPs with specific shapes and crystalline facets exposed. COOH functionalization directed the synthesis of anatase truncated bipyramids, bonded to graphene sheets via the {101} facets, while NH2 functionalization induced the formation of belted

Energy Efficiency Comparison between Hydraulic Hybrid and Hybrid Electric Vehicles

Directory of Open Access Journals (Sweden)

Jia-Shiun Chen

2015-05-01

Full Text Available Conventional vehicles tend to consume considerable amounts of fuel, which generates exhaust gases and environmental pollution during intermittent driving cycles. Therefore, prospective vehicle designs favor improved exhaust emissions and energy consumption without compromising vehicle performance. Although pure electric vehicles feature high performance and low pollution characteristics, their limitations are their short driving range and high battery costs. Hybrid electric vehicles (HEVs are comparatively environmentally friendly and energy efficient, but cost substantially more compared with conventional vehicles. Hydraulic hybrid vehicles (HHVs are mainly operated using engines, or using alternate combinations of engine and hydraulic power sources while vehicles accelerate. When the hydraulic system accumulator is depleted, the conventional engine reengages; concurrently, brake-regenerated power is recycled and reused by employing hydraulic motor–pump modules in circulation patterns to conserve fuel and recycle brake energy. This study adopted MATLAB Simulink to construct complete HHV and HEV models for backward simulations. New European Driving Cycles were used to determine the changes in fuel economy. The output of power components and the state-of-charge of energy could be retrieved. Varying power component models, energy storage component models, and series or parallel configurations were combined into seven different vehicle configurations: the conventional manual transmission vehicle, series hybrid electric vehicle, series hydraulic hybrid vehicle, parallel hybrid electric vehicle, parallel hydraulic hybrid vehicle, purely electric vehicle, and hydraulic-electric hybrid vehicle. The simulation results show that fuel consumption was 21.80% lower in the series hydraulic hybrid vehicle compared to the series hybrid electric vehicle; additionally, fuel consumption was 3.80% lower in the parallel hybrid electric vehicle compared to the

Quinoline-Based Hybrid Compounds with Antimalarial Activity

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Xhamla Nqoro

2017-12-01

Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

Measurement of 197Au(tau,xnyp) excitation functions for 15 MeV <= Esub(tau) <= 135 MeV and analysis in the framework of the hybrid model

International Nuclear Information System (INIS)

Bousshid, O.

1981-01-01

The (tau,xnyp)-reactions on 197 Au were measured. The 3 He incident energy was between 15 MeV and 135 MeV. The experiments were carried out using the stacked-foils technique. Cross sections were determind from the activity of the residual nuclei. The (tau,xn)-excitation functions were measured for 2 = 70 MeV as well as x >= 7 were measured for the first time. Further the (tau,pxn)- and (tau,2pxn)-excitation functions, which were not known so far, have now been measured. The analysis within the framework of the hybrid model for precompound-nuclear-reactions followed by an evaporation cascade, resulted in the best agreement between experimental data and theoretical model calculation using an initial exciton number nsub(o) = 5 (1n+3p+1h). The region of validity of the hybrid model for complex projectiles is discussed. (orig.) [de

Hierarchically structured transparent hybrid membranes by in situ growth of mesostructured organosilica in host polymer

Science.gov (United States)

Vallé, Karine; Belleville, Philippe; Pereira, Franck; Sanchez, Clément

2006-02-01

The elaborate performances characterizing natural materials result from functional hierarchical constructions at scales ranging from nanometres to millimetres, each construction allowing the material to fit the physical or chemical demands occurring at these different levels. Hierarchically structured materials start to demonstrate a high input in numerous promising applied domains such as sensors, catalysis, optics, fuel cells, smart biologic and cosmetic vectors. In particular, hierarchical hybrid materials permit the accommodation of a maximum of elementary functions in a small volume, thereby optimizing complementary possibilities and properties between inorganic and organic components. The reported strategies combine sol-gel chemistry, self-assembly routes using templates that tune the material's architecture and texture with the use of larger inorganic, organic or biological templates such as latex, organogelator-derived fibres, nanolithographic techniques or controlled phase separation. We propose an approach to forming transparent hierarchical hybrid functionalized membranes using in situ generation of mesostructured hybrid phases inside a non-porogenic hydrophobic polymeric host matrix. We demonstrate that the control of the multiple affinities existing between organic and inorganic components allows us to design the length-scale partitioning of hybrid nanomaterials with tuned functionalities and desirable size organization from ångström to centimetre. After functionalization of the mesoporous hybrid silica component, the resulting membranes have good ionic conductivity offering interesting perspectives for the design of solid electrolytes, fuel cells and other ion-transport microdevices.

VHDL Models with Usage of the LFSR_PCKG Package

Directory of Open Access Journals (Sweden)

J. Mitrych

2002-04-01

Full Text Available LFSRs (Linear Feedback Shift Registers are very often used in theBIST (Built-In Self-Test methodology. Implementation of the LFSRs tothe design or application of digital system, which supports BISTtechniques or which only uses these LFSRs, can be done by VHDLlanguage. This paper presents VHDL models of the devices andsubroutines (e.g. test pattern generators, signature analysers. Modelsare based on LFSR structures with usage of the LFSR_PCKG packagedescribed in the (Kovalsky and Vlcek, 2001, which can be usedin the applications supporting BIST techniques. Devices are describedas behavioural and structural models. These models and descriptions canbe used e.g. in the (Kovalsky, 2001. The LFSR_PCKG was modifiedand new approach is presented. Naturally, there are presented somesynthesis conclusions of the VHDL models and applications in thispaper.

Multi-step surface functionalization of polyimide based evanescent wave photonic biosensors and application for DNA hybridization by Mach-Zehnder interferometer

Energy Technology Data Exchange (ETDEWEB)

Melnik, Eva [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria); Bruck, Roman [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Hainberger, Rainer, E-mail: rainer.hainberger@ait.ac.at [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Laemmerhofer, Michael, E-mail: michael.laemmerhofer@univie.ac.at [Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria)

2011-08-12

Highlights: {yields} We realize a biosensing platform for polyimide evanescent photonic wave sensors. {yields} We show that the surface functionalization via silanisation and biotinylation followed by streptavidin immobilization do not destroy or damage the thin polyimide film. {yields} A highly dense streptavidin layer enables the immobilisation of biotinylated ligands such as biotinylated ssDNA for the selective measurement of DNA hybridization. - Abstract: The process of surface functionalization involving silanization, biotinylation and streptavidin bonding as platform for biospecific ligand immobilization was optimized for thin film polyimide spin-coated silicon wafers, of which the polyimide film serves as a wave guiding layer in evanescent wave photonic biosensors. This type of optical sensors make great demands on the materials involved as well as on the layer properties, such as the optical quality, the layer thickness and the surface roughness. In this work we realized the binding of a 3-mercaptopropyl trimethoxysilane on an oxygen plasma activated polyimide surface followed by subsequent derivatization of the reactive thiol groups with maleimide-PEG{sub 2}-biotin and immobilization of streptavidin. The progress of the functionalization was monitored by using different fluorescence labels for optimization of the chemical derivatization steps. Further, X-ray photoelectron spectroscopy and atomic force microscopy were utilized for the characterization of the modified surface. These established analytical methods allowed to derive information like chemical composition of the surface, surface coverage with immobilized streptavidin, as well as parameters of the surface roughness. The proposed functionalization protocol furnished a surface density of 144 fmol mm{sup -2} streptavidin with good reproducibility (13.9% RSD, n = 10) and without inflicted damage to the surface. This surface modification was applied to polyimide based Mach-Zehnder interferometer

Hybride textuelle Strukturen und hybride textuelle Einheiten. Ein ...

African Journals Online (AJOL)

carrying set of all hybrid hierarchical structures are element-heterogeneous whilst the structure- carrying set of all ... grams of hierarchical hybrid article structures, the nodes for those text segments that establish the hybrid status of .... der; d ∈ ArtA ⊣ G|WAr (= Artikelangabe, anhand derer das Genus (= G) und zugleich die ...

Hybrid computer modelling in plasma physics

International Nuclear Information System (INIS)

Hromadka, J; Ibehej, T; Hrach, R

2016-01-01

Our contribution is devoted to development of hybrid modelling techniques. We investigate sheath structures in the vicinity of solids immersed in low temperature argon plasma of different pressures by means of particle and fluid computer models. We discuss the differences in results obtained by these methods and try to propose a way to improve the results of fluid models in the low pressure area. There is a possibility to employ Chapman-Enskog method to find appropriate closure relations of fluid equations in a case when particle distribution function is not Maxwellian. We try to follow this way to enhance fluid model and to use it in hybrid plasma model further. (paper)

Using Protein Dimers to Maximize the Protein Hybridization Efficiency with Multisite DNA Origami Scaffolds

Science.gov (United States)

Verma, Vikash; Mallik, Leena; Hariadi, Rizal F.; Sivaramakrishnan, Sivaraj; Skiniotis, Georgios; Joglekar, Ajit P.

2015-01-01

DNA origami provides a versatile platform for conducting ‘architecture-function’ analysis to determine how the nanoscale organization of multiple copies of a protein component within a multi-protein machine affects its overall function. Such analysis requires that the copy number of protein molecules bound to the origami scaffold exactly matches the desired number, and that it is uniform over an entire scaffold population. This requirement is challenging to satisfy for origami scaffolds with many protein hybridization sites, because it requires the successful completion of multiple, independent hybridization reactions. Here, we show that a cleavable dimerization domain on the hybridizing protein can be used to multiplex hybridization reactions on an origami scaffold. This strategy yields nearly 100% hybridization efficiency on a 6-site scaffold even when using low protein concentration and short incubation time. It can also be developed further to enable reliable patterning of a large number of molecules on DNA origami for architecture-function analysis. PMID:26348722

Hybrid real-code ant colony optimisation for constrained mechanical design

Science.gov (United States)

Pholdee, Nantiwat; Bureerat, Sujin

2016-01-01

This paper proposes a hybrid meta-heuristic based on integrating a local search simplex downhill (SDH) method into the search procedure of real-code ant colony optimisation (ACOR). This hybridisation leads to five hybrid algorithms where a Monte Carlo technique, a Latin hypercube sampling technique (LHS) and a translational propagation Latin hypercube design (TPLHD) algorithm are used to generate an initial population. Also, two numerical schemes for selecting an initial simplex are investigated. The original ACOR and its hybrid versions along with a variety of established meta-heuristics are implemented to solve 17 constrained test problems where a fuzzy set theory penalty function technique is used to handle design constraints. The comparative results show that the hybrid algorithms are the top performers. Using the TPLHD technique gives better results than the other sampling techniques. The hybrid optimisers are a powerful design tool for constrained mechanical design problems.

Folding and activity of hybrid sequence, disulfide-stabilized peptides

Energy Technology Data Exchange (ETDEWEB)

Pease, J.H.B.; Storrs, R.W.; Wemmer, D.E. (Univ. of California, Berkeley (USA))

1990-08-01

Peptides have been synthesized that have hybrid sequences, partially derived from the bee venom peptide apamin and partially from the S peptide of ribonuclease A. The hybrid peptides were demonstrated by NMR spectroscopy to fold, forming the same disulfides and basic three-dimensional structure as native apamin, containing a {beta}-turn and an {alpha}-helix. These hybrids were active in complementing S protein, reactivating nuclease activity. In addition, the hybrid peptide was effective in inducing antibodies that cross-react with the RNase, without conjugation to a carrier protein. The stability of the folded structure of this peptide suggests that it should be possible to elicit antibodies that will react not only with a specific sequence, but also with a specific secondary structure. Hybrid sequence peptides also provide opportunities to study separately nucleation and propagation steps in formation of secondary structure. The authors show that in S peptide the {alpha}-helix does not end abruptly but rather terminates gradually over four or five residues. In general, these hybrid sequence peptides, which fold predictably because of disulfide bond formation, can provide opportunities for examining structure - function relationships for many biologically active sequences.

Folding and activity of hybrid sequence, disulfide-stabilized peptides

International Nuclear Information System (INIS)

Pease, J.H.B.; Storrs, R.W.; Wemmer, D.E.

1990-01-01

Peptides have been synthesized that have hybrid sequences, partially derived from the bee venom peptide apamin and partially from the S peptide of ribonuclease A. The hybrid peptides were demonstrated by NMR spectroscopy to fold, forming the same disulfides and basic three-dimensional structure as native apamin, containing a β-turn and an α-helix. These hybrids were active in complementing S protein, reactivating nuclease activity. In addition, the hybrid peptide was effective in inducing antibodies that cross-react with the RNase, without conjugation to a carrier protein. The stability of the folded structure of this peptide suggests that it should be possible to elicit antibodies that will react not only with a specific sequence, but also with a specific secondary structure. Hybrid sequence peptides also provide opportunities to study separately nucleation and propagation steps in formation of secondary structure. The authors show that in S peptide the α-helix does not end abruptly but rather terminates gradually over four or five residues. In general, these hybrid sequence peptides, which fold predictably because of disulfide bond formation, can provide opportunities for examining structure - function relationships for many biologically active sequences

Breaking Dense Structures: Proving Stability of Densely Structured Hybrid Systems

Directory of Open Access Journals (Sweden)

Eike Möhlmann

2015-06-01

Full Text Available Abstraction and refinement is widely used in software development. Such techniques are valuable since they allow to handle even more complex systems. One key point is the ability to decompose a large system into subsystems, analyze those subsystems and deduce properties of the larger system. As cyber-physical systems tend to become more and more complex, such techniques become more appealing. In 2009, Oehlerking and Theel presented a (de-composition technique for hybrid systems. This technique is graph-based and constructs a Lyapunov function for hybrid systems having a complex discrete state space. The technique consists of (1 decomposing the underlying graph of the hybrid system into subgraphs, (2 computing multiple local Lyapunov functions for the subgraphs, and finally (3 composing the local Lyapunov functions into a piecewise Lyapunov function. A Lyapunov function can serve multiple purposes, e.g., it certifies stability or termination of a system or allows to construct invariant sets, which in turn may be used to certify safety and security. In this paper, we propose an improvement to the decomposing technique, which relaxes the graph structure before applying the decomposition technique. Our relaxation significantly reduces the connectivity of the graph by exploiting super-dense switching. The relaxation makes the decomposition technique more efficient on one hand and on the other allows to decompose a wider range of graph structures.

A functional hybrid memristor crossbar-array/CMOS system for data storage and neuromorphic applications.

Science.gov (United States)

Kim, Kuk-Hwan; Gaba, Siddharth; Wheeler, Dana; Cruz-Albrecht, Jose M; Hussain, Tahir; Srinivasa, Narayan; Lu, Wei

2012-01-11

Crossbar arrays based on two-terminal resistive switches have been proposed as a leading candidate for future memory and logic applications. Here we demonstrate a high-density, fully operational hybrid crossbar/CMOS system composed of a transistor- and diode-less memristor crossbar array vertically integrated on top of a CMOS chip by taking advantage of the intrinsic nonlinear characteristics of the memristor element. The hybrid crossbar/CMOS system can reliably store complex binary and multilevel 1600 pixel bitmap images using a new programming scheme. © 2011 American Chemical Society

Dielectric properties of PMMA-SiO2 hybrid films

KAUST Repository

Morales-Acosta, M. D.; Quevedo-Ló pez, Manuel Angel Quevedo; Alshareef, Husam N.; Gnade, Bruce E.; Ramí rez-Bon, Rafael

2010-01-01

Organic-inorganic hybrid films were synthesized by a modified sol-gel process. PMMASiO2 films were prepared using methylmethacrylate (MMA), tetraethil-orthosilicate (TEOS) as silicon dioxide source, and 3-trimetoxi-silil-propil-methacrylate (TMSPM) as coupling agent. FTIR measurements were performed on the hybrid films to confirm the presence of PMMA-SiO2 bonding. In addition, metal-insulator-metal (MIM) devices were fabricated to study the dielectric constant of the films as function of frequency (1 KHz to 1 MHz). Electrical results show a weak trend of the dielectric constant of the hybrid films with MMA molar ratio. More importantly, the PMMA-SiO2 hybrid films showed a higher dielectric constant than SiO2 and PMMA layers, which is likely due to the presence of additional C-O-C bond. © (2010) Trans Tech Publications.

Dielectric properties of PMMA-SiO2 hybrid films

KAUST Repository

Morales-Acosta, M. D.

2010-03-01

Organic-inorganic hybrid films were synthesized by a modified sol-gel process. PMMASiO2 films were prepared using methylmethacrylate (MMA), tetraethil-orthosilicate (TEOS) as silicon dioxide source, and 3-trimetoxi-silil-propil-methacrylate (TMSPM) as coupling agent. FTIR measurements were performed on the hybrid films to confirm the presence of PMMA-SiO2 bonding. In addition, metal-insulator-metal (MIM) devices were fabricated to study the dielectric constant of the films as function of frequency (1 KHz to 1 MHz). Electrical results show a weak trend of the dielectric constant of the hybrid films with MMA molar ratio. More importantly, the PMMA-SiO2 hybrid films showed a higher dielectric constant than SiO2 and PMMA layers, which is likely due to the presence of additional C-O-C bond. © (2010) Trans Tech Publications.

A reconfigurable hybrid supervisory system for process control

International Nuclear Information System (INIS)

Garcia, H.E.; Ray, A.; Edwards, R.M.

1994-01-01

This paper presents a reconfigurable approach to decision and control systems for complex dynamic processes. The proposed supervisory control system is a reconfigurable hybrid architecture structured into three functional levels of hierarchy, namely, execution, supervision, and coordination. While the bottom execution level is constituted by either reconfigurable continuously varying or discrete event systems, the top two levels are necessarily governed by reconfigurable sets of discrete event decision and control systems. Based on the process status, the set of active control and supervisory algorithm is chosen. The reconfigurable hybrid system is briefly described along with a discussion on its implementation at the Experimental Breeder Reactor II of Argonne National Laboratory. A process control application of this hybrid system is presented and evaluated in an in-plant experiment

A reconfigurable hybrid supervisory system for process control

International Nuclear Information System (INIS)

Garcia, H.E.; Ray, A.; Edwards, R.M.

1994-01-01

This paper presents a reconfigurable approach to decision and control systems for complex dynamic processes. The proposed supervisory control system is a reconfigurable hybrid architecture structured into three functional levels of hierarchy, namely, execution, supervision, and coordination. While, the bottom execution level is constituted by either reconfigurable continuously varying or discrete event systems, the top two levels are necessarily governed by reconfigurable sets of discrete event decision and control systems. Based on the process status, the set of active control and supervisory algorithm is chosen. The reconfigurable hybrid system is briefly described along with a discussion on its implementation at the Experimental Breeder Reactor 2 of Argonne National Laboratory. A process control application of this hybrid system is presented and evaluated in an in-plant experiment

Heavy metals adsorption by novel EDTA-modified chitosan-silica hybrid materials.

Science.gov (United States)

Repo, Eveliina; Warchoł, Jolanta K; Bhatnagar, Amit; Sillanpää, Mika

2011-06-01

Novel adsorbents were synthesized by functionalizing chitosan-silica hybrid materials with (ethylenediaminetetraacetic acid) EDTA ligands. The synthesized adsorbents were found to combine the advantages of both silica gel (high surface area, porosity, rigid structure) and chitosan (surface functionality). The Adsorption potential of hybrid materials was investigated using Co(II), Ni(II), Cd(II), and Pb(II) as target metals by varying experimental conditions such as pH, contact time, and initial metal concentration. The kinetic results revealed that the pore diffusion process played a key role in adsorption kinetics, which might be attributed to the porous structure of synthesized adsorbents. The obtained maximum adsorption capacities of the hybrid materials for the metal ions ranged from 0.25 to 0.63 mmol/g under the studied experimental conditions. The adsorbent with the highest chitosan content showed the best adsorption efficiency. Bi-Langmuir and Sips isotherm model fitting to experimental data suggested the surface heterogeneity of the prepared adsorbents. In multimetal solutions, the hybrid adsorbents showed the highest affinity toward Pb(II). Copyright © 2011 Elsevier Inc. All rights reserved.

Fusion-fission hybrid reactors

International Nuclear Information System (INIS)

Greenspan, E.

1984-01-01

This chapter discusses the range of characteristics attainable from hybrid reactor blankets; blanket design considerations; hybrid reactor designs; alternative fuel hybrid reactors; multi-purpose hybrid reactors; and hybrid reactors and the energy economy. Hybrid reactors are driven by a fusion neutron source and include fertile and/or fissile material. The fusion component provides a copious source of fusion neutrons which interact with a subcritical fission component located adjacent to the plasma or pellet chamber. Fissile fuel and/or energy are the main products of hybrid reactors. Topics include high F/M blankets, the fissile (and tritium) breeding ratio, effects of composition on blanket properties, geometrical considerations, power density and first wall loading, variations of blanket properties with irradiation, thermal-hydraulic and mechanical design considerations, safety considerations, tokamak hybrid reactors, tandem-mirror hybrid reactors, inertial confinement hybrid reactors, fusion neutron sources, fissile-fuel and energy production ability, simultaneous production of combustible and fissile fuels, fusion reactors for waste transmutation and fissile breeding, nuclear pumped laser hybrid reactors, Hybrid Fuel Factories (HFFs), and scenarios for hybrid contribution. The appendix offers hybrid reactor fundamentals. Numerous references are provided

In situ hybridization of superparamagnetic iron-biomolecule nanoparticles.

Science.gov (United States)

Moghimi, Nafiseh; Donkor, Apraku David; Mohapatra, Mamata; Thomas, Joseph Palathinkal; Su, Zhengding; Tang, Xiaowu Shirley; Leung, Kam Tong

2014-07-23

The increase in interest in the integration of organic-inorganic nanostructures in recent years has promoted the use of hybrid nanoparticles (HNPs) in medicine, energy conversion, and other applications. Conventional hybridization methods are, however, often long, complicated, and multistepped, and they involve biomolecules and discrete nanostructures as separate entities, all of which hinder the practical use of the resulting HNPs. Here, we present a novel, in situ approach to synthesizing size-specific HNPs using Fe-biomolecule complexes as the building blocks. We choose an anticancer peptide (p53p, MW 1.8 kDa) and an enzyme (GOx, MW 160 kDa) as model molecules to demonstrate the versatility of the method toward different types of molecules over a large size range. We show that electrostatic interaction for complex formation of metal hydroxide ion with the partially charged side of biomolecule in the solution is the key to hybridization of metal-biomolecule materials. Electrochemical deposition is then used to produce hybrid NPs from these complexes. These HNPs with controllable sizes ranging from 30 nm to 3.5 μm are found to exhibit superparamagnetic behavior, which is a big challenge for particles in this size regime. As an example of greatly improved properties and functionality of the new hybrid material, in vitro toxicity assessment of Fe-GOx HNPs shows no adverse effect, and the Fe-p53p HNPs are found to selectively bind to cancer cells. The superparamagnetic nature of these HNPs (superparamagnetic even above the size regime of 15-20 nm!), their biocompatibility, and the direct integration approach are fundamentally important to biomineralization and general synthesis strategy for bioinspired functional materials.

Hybrid-DFT  +  V w method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxide.

Science.gov (United States)

Ivády, Viktor; Gali, Adam; Abrikosov, Igor A

2017-11-15

Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can provide self-interaction reduced description of selected states. On the other hand, the uniform description of all the electronic states of a given system is a known drawback of these functionals that causes varying accuracy in the description of states with different degrees of localization. This limitation can be remedied by the orbital dependent exact exchange extension of hybrid functionals; the hybrid-DFT  +  V w method (Ivády et al 2014 Phys. Rev. B 90 035146). Based on the analogy of quasi-particle equations and hybrid-DFT single particle equations, here we demonstrate that parameters of hybrid-DFT  +  V w functional can be determined from approximate theoretical quasi-particle spectra without any fitting to experiment. The proposed method is illustrated on the charge self-consistent electronic structure calculation for cerium dioxide where itinerant valence states interact with well-localized 4f atomic like states, making this system challenging for conventional methods, either hybrid-DFT or LDA  +  U, and therefore allowing for a demonstration of the advantages of the proposed scheme.

Hybrid Imaging: Instrumentation and Data Processing

Directory of Open Access Journals (Sweden)

Jacobo Cal-Gonzalez

2018-05-01

Full Text Available State-of-the-art patient management frequently requires the use of non-invasive imaging methods to assess the anatomy, function or molecular-biological conditions of patients or study subjects. Such imaging methods can be singular, providing either anatomical or molecular information, or they can be combined, thus, providing “anato-metabolic” information. Hybrid imaging denotes image acquisitions on systems that physically combine complementary imaging modalities for an improved diagnostic accuracy and confidence as well as for increased patient comfort. The physical combination of formerly independent imaging modalities was driven by leading innovators in the field of clinical research and benefited from technological advances that permitted the operation of PET and MR in close physical proximity, for example. This review covers milestones of the development of various hybrid imaging systems for use in clinical practice and small-animal research. Special attention is given to technological advances that helped the adoption of hybrid imaging, as well as to introducing methodological concepts that benefit from the availability of complementary anatomical and biological information, such as new types of image reconstruction and data correction schemes. The ultimate goal of hybrid imaging is to provide useful, complementary and quantitative information during patient work-up. Hybrid imaging also opens the door to multi-parametric assessment of diseases, which will help us better understand the causes of various diseases that currently contribute to a large fraction of healthcare costs.

Energy storage in hybrid organic-inorganic materials hexacyanoferrate-doped polypyrrole as cathode in reversible lithium cells

DEFF Research Database (Denmark)

Torres-Gomez, G,; Skaarup, Steen; West, Keld

2000-01-01

A study of the hybrid oganic-inorganic hexacyanoferrate-polypyrrole material as a cathode in rechargeable lithium cells is reported as part of a series of functional hybrid materials that represent a new concept in energy storage. The effect of synthesis temperatures of the hybrid in the specific...

MeMo: a hybrid SQL/XML approach to metabolomic data management for functional genomics

Directory of Open Access Journals (Sweden)

Hardy Nigel

2006-06-01

Full Text Available Abstract Background The genome sequencing projects have shown our limited knowledge regarding gene function, e.g. S. cerevisiae has 5–6,000 genes of which nearly 1,000 have an uncertain function. Their gross influence on the behaviour of the cell can be observed using large-scale metabolomic studies. The metabolomic data produced need to be structured and annotated in a machine-usable form to facilitate the exploration of the hidden links between the genes and their functions. Description MeMo is a formal model for representing metabolomic data and the associated metadata. Two predominant platforms (SQL and XML are used to encode the model. MeMo has been implemented as a relational database using a hybrid approach combining the advantages of the two technologies. It represents a practical solution for handling the sheer volume and complexity of the metabolomic data effectively and efficiently. The MeMo model and the associated software are available at http://dbkgroup.org/memo/. Conclusion The maturity of relational database technology is used to support efficient data processing. The scalability and self-descriptiveness of XML are used to simplify the relational schema and facilitate the extensibility of the model necessitated by the creation of new experimental techniques. Special consideration is given to data integration issues as part of the systems biology agenda. MeMo has been physically integrated and cross-linked to related metabolomic and genomic databases. Semantic integration with other relevant databases has been supported through ontological annotation. Compatibility with other data formats is supported by automatic conversion.

Graphene oxide chemically decorated with hybrid Ag-Ru/chitosan nanoparticles: fabrication and properties

OpenAIRE

Veerapandian, Murugan; Neethirajan, Suresh

2015-01-01

Hybridization of distinct materials into a single nanoplatform is relevant to advance material’s properties for functional application such as biosensor platform. We report the synthesis and characterization of nanosheets of graphene oxide decorated with hybrid nanoparticles of silver-ruthenium bipyridine complex (Ag@[Ru(bpy)3]2+) core and chitosan shell. Hybrid nanoparticles were first obtained through a sequential wet-chemical approach using in situ reduction, electrostatic and coordination...

Spacecraft Hybrid (Mixed-Actuator) Attitude Control Experiences on NASA Science Missions

Science.gov (United States)

Dennehy, Cornelius J.

2014-01-01

There is a heightened interest within NASA for the design, development, and flight implementation of mixed-actuator hybrid attitude control systems for science spacecraft that have less than three functional reaction wheel actuators. This interest is driven by a number of recent reaction wheel failures on aging, but what could be still scientifically productive, NASA spacecraft if a successful hybrid attitude control mode can be implemented. Over the years, hybrid (mixed-actuator) control has been employed for contingency attitude control purposes on several NASA science mission spacecraft. This paper provides a historical perspective of NASA's previous engineering work on spacecraft mixed-actuator hybrid control approaches. An update of the current situation will also be provided emphasizing why NASA is now so interested in hybrid control. The results of the NASA Spacecraft Hybrid Attitude Control Workshop, held in April of 2013, will be highlighted. In particular, the lessons learned captured from that workshop will be shared in this paper. An update on the most recent experiences with hybrid control on the Kepler spacecraft will also be provided. This paper will close with some future considerations for hybrid spacecraft control.

Morphological identification of Lucilia sericata, Lucilia cuprina and their hybrids (Diptera, Calliphoridae)

Science.gov (United States)

Williams, Kirstin A.; Villet, Martin H.

2014-01-01

Abstract Hybrids of Lucilia sericata and Lucilia cuprina have been shown to exist in previous studies using molecular methods, but no study has shown explicitly that these hybrids can be identified morphologically. Published morphological characters used to identify L. sericata and L. cuprina were reviewed, and then scored and tested using specimens of both species and known hybrids. Ordination by multi-dimensional scaling indicated that the species were separable, and that hybrids resembled L. cuprina, whatever their origin. Discriminant function analysis of the characters successfully separated the specimens into three unambiguous groups – L. sericata, L. cuprina and hybrids. The hybrids were morphologically similar irrespective of whether they were from an ancient introgressed lineage or more modern. This is the first evidence that hybrids of these two species can be identified from their morphology. The usefulness of the morphological characters is also discussed and photographs of several characters are included to facilitate their assessment. PMID:25061373

Dual-functional Pt-on-Pd supported on reduced graphene oxide hybrids: peroxidase-mimic activity and an enhanced electrocatalytic oxidation characteristic.

Science.gov (United States)

Zhang, Xiahong; Wu, Genghuang; Cai, Zhixiong; Chen, Xi

2015-03-01

In this study, a facile hydrothermal method was developed to synthesize Pt-on-Pd supported on reduced graphene oxide (Pt-on-Pd/RGO) hybrids. Because of the synergistic effect between Pt-on-Pd and RGO, the obtained Pt-on-Pd/RGO had superior peroxidase-mimic activities in H2O2 reduction and TMB oxidation. The reaction medium was optimized and a sensing approach for H2O2 was developed with a linear range from 0.98 to 130.7 μM of H2O2. In addition, the characteristic of electrocatalytic oxidation of methanol was investigated. The peak current density value, j(f), for the Pt-on-Pd/RGO hybrid (328 mA mg(Pt)(-1)) was about 1.85 fold higher than that of commercial Pt black (177 mA mg(Pt)(-1)) and, also, more durable electrocatalytic activity could be obtained. For the first time, the dual-functional Pt-on-Pd/RGO with peroxidase-mimic activity and an enhanced electrocatalytic oxidation characteristic was reported. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental and theoretical assessment of flexural properties of hybrid natural fibre composites

DEFF Research Database (Denmark)

Raghavalu Thirumalai, Durai Prabhakaran; Toftegaard, Helmuth Langmaack; Markussen, Christen Malte

2014-01-01

The concept of hybridization of natural fibre composites with synthetic fibres is attracting increasing scientific attention. The present study addresses the flexural properties of hybrid flax/glass/epoxy composites to demonstrate the potential benefits of hybridization. The study covers both...... experimental and theoretical assessments. Composite laminates with different hybrid fibre mixing ratios and different layer configurations were manufactured, and their volumetric composition and flexural properties were measured. The relationship between volume fractions in the composites is shown to be well...... predicted as a function of the hybrid fibre mixing ratio. The flexural modulus of the composites is theoretically assessed by using micromechanical models and laminate theory. The model predictions are compared with the experimentally determined flexural properties. Both approaches show that the flexural...

Monumentaalne spioonifilm / Sergei Stadnikov

Index Scriptorium Estoniae

Stadnikov, Sergei, 1956-

2007-01-01

Mängufilm "The Good Shepherd" : stsenarist Eric Roth : režissöör Robert De Niro : Ameerika Ühendriigid, 2006. Lähemalt peategelase prototüübist CIA vastuluureülemast James Jesus Angeltonist (1917-1987)

Mechanically-competent and cytocompatible polycaprolactone-borophosphosilicate hybrid biomaterials.

Science.gov (United States)

Mondal, Dibakar; Dixon, S Jeffrey; Mequanint, Kibret; Rizkalla, Amin S

2017-11-01

Organic-inorganic class II hybrid materials have domain sizes at the molecular level and chemical bonding between the organic and inorganic phases. We have previously reported the synthesis of class II hybrid biomaterials from alkoxysilane-functionalized polycaprolactone (PCL) and borophosphosilicate (B 2 O 3 -P 2 O 5 -SiO 2 ) glass (BPSG) through a non-aqueous sol-gel process. In the present study, the mechanical properties and degradability of these PCL/BPSG hybrid biomaterials were studied and compared to those of their conventional composite counterparts. The compressive strength, modulus and toughness of the hybrid biomaterials were significantly greater compared to the conventional composites, likely due to the covalent bonding between the organic and inorganic phases. A hybrid biomaterial (50wt% PCL and 50wt% BPSG) exhibited compressive strength, modulus and toughness values of 32.2 ± 3.5MPa, 573 ± 85MPa and 1.54 ± 0.03MPa, respectively; whereas the values for composite of similar composition were 18.8 ± 1.6MPa, 275 ± 28MPa and 0.76 ± 0.03MPa, respectively. Degradation in phosphate-buffered saline was slower for hybrid biomaterials compared to their composite counterparts. Thus, these hybrid materials possess superior mechanical properties and more controlled degradation characteristics compared to their corresponding conventional composites. To assess in vitro cytocompatibility, MC3T3-E1 pre-osteoblastic cells were seeded onto the surfaces of hybrid biomaterials and polycaprolactone (control). Compared to polycaprolactone, cells on the hybrid material displayed enhanced spreading, focal adhesion formation, and cell number, consistent with excellent cytocompatibility. Thus, based on their mechanical properties, degradability and cytocompatibility, these novel biomaterials have potential for use as scaffolds in bone tissue engineering and related applications. Copyright © 2017. Published by Elsevier Ltd.

Hybrid Photonic Integration on a Polymer Platform

Directory of Open Access Journals (Sweden)

Ziyang Zhang

2015-09-01

Full Text Available To fulfill the functionality demands from the fast developing optical networks, a hybrid integration approach allows for combining the advantages of various material platforms. We have established a polymer-based hybrid integration platform (polyboard, which provides flexible optical input/ouptut interfaces (I/Os that allow robust coupling of indium phosphide (InP-based active components, passive insertion of thin-film-based optical elements, and on-chip attachment of optical fibers. This work reviews the recent progress of our polyboard platform. On the fundamental level, multi-core waveguides and polymer/silicon nitride heterogeneous waveguides have been fabricated, broadening device design possibilities and enabling 3D photonic integration. Furthermore, 40-channel optical line terminals and compact, bi-directional optical network units have been developed as highly functional, low-cost devices for the wavelength division multiplexed passive optical network. On a larger scale, thermo-optic elements, thin-film elements and an InP gain chip have been integrated on the polyboard to realize a colorless, dual-polarization optical 90° hybrid as the frontend of a coherent receiver. For high-end applications, a wavelength tunable 100Gbaud transmitter module has been demonstrated, manifesting the joint contribution from the polyboard technology, high speed polymer electro-optic modulator, InP driver electronics and ceramic electronic interconnects.

HybridGO-Loc: mining hybrid features on gene ontology for predicting subcellular localization of multi-location proteins.

Science.gov (United States)

Wan, Shibiao; Mak, Man-Wai; Kung, Sun-Yuan

2014-01-01

Protein subcellular localization prediction, as an essential step to elucidate the functions in vivo of proteins and identify drugs targets, has been extensively studied in previous decades. Instead of only determining subcellular localization of single-label proteins, recent studies have focused on predicting both single- and multi-location proteins. Computational methods based on Gene Ontology (GO) have been demonstrated to be superior to methods based on other features. However, existing GO-based methods focus on the occurrences of GO terms and disregard their relationships. This paper proposes a multi-label subcellular-localization predictor, namely HybridGO-Loc, that leverages not only the GO term occurrences but also the inter-term relationships. This is achieved by hybridizing the GO frequencies of occurrences and the semantic similarity between GO terms. Given a protein, a set of GO terms are retrieved by searching against the gene ontology database, using the accession numbers of homologous proteins obtained via BLAST search as the keys. The frequency of GO occurrences and semantic similarity (SS) between GO terms are used to formulate frequency vectors and semantic similarity vectors, respectively, which are subsequently hybridized to construct fusion vectors. An adaptive-decision based multi-label support vector machine (SVM) classifier is proposed to classify the fusion vectors. Experimental results based on recent benchmark datasets and a new dataset containing novel proteins show that the proposed hybrid-feature predictor significantly outperforms predictors based on individual GO features as well as other state-of-the-art predictors. For readers' convenience, the HybridGO-Loc server, which is for predicting virus or plant proteins, is available online at http://bioinfo.eie.polyu.edu.hk/HybridGoServer/.

Surface-Induced Hybridization between Graphene and Titanium

Energy Technology Data Exchange (ETDEWEB)

Hsu, Allen L. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States).; Koch, Roland J. [Technische Universitat, Chemnitz (Germany); Ong, Mitchell T. [Stanford Univ., CA (United States); Fang, Wenjing [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Hofmann, Mario [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Kim, Ki Kang [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States).; Seyller, Thomas [Technische Universitat, Chemnitz (Germany); Dresselhaus, Mildred S. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Reed, Evan J. [Stanford Univ., CA (United States); Kong, Jing [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Palacios, Tomás [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States)

2014-08-26

Carbon-based materials such as graphene sheets and carbon nanotubes have inspired a broad range of applications ranging from high-speed flexible electronics all the way to ultrastrong membranes. However, many of these applications are limited by the complex interactions between carbon-based materials and metals. In this work, we experimentally investigate the structural interactions between graphene and transition metals such as palladium (Pd) and titanium (Ti), which have been confirmed by density functional simulations. We find that the adsorption of titanium on graphene is more energetically favorable than in the case of most metals, and density functional theory shows that a surface induced p-d hybridization occurs between atomic carbon and titanium orbitals. This strong affinity between the two materials results in a short-range ordered crystalline deposition on top of graphene as well as chemical modifications to graphene as seen by Raman and X-ray photoemission spectroscopy (XPS). This induced hybridization is interface-specific and has major consequences for contacting graphene nanoelectronic devices as well as applications toward metal-induced chemical functionalization of graphene.

The Effect of Clay/Multiwall Carbon Nanotube Hybrid Fillers on the Properties of Elastomer Nanocomposites

Directory of Open Access Journals (Sweden)

Sung Ho Song

2018-01-01

Full Text Available The hybrid fillers of 1D multiwalled carbon nanotubes (MWNT and 2D montmorillonite (MMT have led to excellent physical and chemical properties in high performance elastomer nanocomposites. In this study, the hybridization of PDDA (polydiallyldimethylammonium chloride functionalized MWNT (P-MWNT and hydroxyl-functionalized MMT (H-MMT was prepared by the electrostatic interaction between the positive charge on the MWNT and the negative charge on the MMT using a simple solution mixing process. Also, a styrene-butadiene rubber (SBR nanocomposite containing the hybrid nanofillers was prepared to improve the dispersion of nanofillers with SBR latex. The SBR nanocomposites with the hybrid nanofillers exhibited outstanding mechanical properties including modulus, tensile strength, and elongation at break, due to the enhanced interfacial bonding with the elastomer matrix. Furthermore, the hybrid nanofillers in the SBR matrix showed superior thermal and electrical properties and gas barrier performance at low loadings. The synergistic effects of the SBR produced by the hybridized nanofillers will open up new opportunities for elastomer composites with high performance.

Hybrid reactors

International Nuclear Information System (INIS)

Moir, R.W.

1980-01-01

The rationale for hybrid fusion-fission reactors is the production of fissile fuel for fission reactors. A new class of reactor, the fission-suppressed hybrid promises unusually good safety features as well as the ability to support 25 light-water reactors of the same nuclear power rating, or even more high-conversion-ratio reactors such as the heavy-water type. One 4000-MW nuclear hybrid can produce 7200 kg of 233 U per year. To obtain good economics, injector efficiency times plasma gain (eta/sub i/Q) should be greater than 2, the wall load should be greater than 1 MW.m -2 , and the hybrid should cost less than 6 times the cost of a light-water reactor. Introduction rates for the fission-suppressed hybrid are usually rapid

Flexible, Transparent, Thickness-Controllable SWCNT/PEDOT:PSS Hybrid Films Based on Coffee-Ring Lithography for Functional Noncontact Sensing Device

KAUST Repository

Tai, Yanlong

2015-12-08

Flexible transparent conductive films (FTCFs) as the essential components of the next generation of functional circuits and devices are presently attracting more attention. Here, a new strategy has been demonstrated to fabricate thickness-controllable FTCFs through coffee ring lithography (CRL) of single-wall carbon nanotube (SWCNT)/poly(3,4-ethylenedioxythiophene)-polystyrenesulfonate (PEDOT:PSS) hybrid ink. The influence of ink concentration and volume on the thickness and size of hybrid film has been investigated systematically. Results show that the final FTCFs present a high performance, including a homogeneous thickness of 60-65 nm, a sheet resistance of 1.8 kohm/sq, a visible/infrared-range transmittance (79%, PET = 90%), and a dynamic mechanical property (>1000 cycle, much better than ITO film), respectively, when SWCNT concentration is 0.2 mg/mL, ink volume is 0.4 μL, drying at room temperature. Moreover, the benefits of these kinds of FTCFs have been verified through a full transparent, flexible noncontact sensing panel (3 × 4 sensing pixels) and a flexible battery-free wireless sensor based on a humidity sensing mechanism, showing excellent human/machine interaction with high sensitivity, good stability, and fast response/recovery ability. © 2015 American Chemical Society.

Flexible, Transparent, Thickness-Controllable SWCNT/PEDOT:PSS Hybrid Films Based on Coffee-Ring Lithography for Functional Noncontact Sensing Device

KAUST Repository

Tai, Yanlong; Yang, Zhen Guo

2015-01-01

Flexible transparent conductive films (FTCFs) as the essential components of the next generation of functional circuits and devices are presently attracting more attention. Here, a new strategy has been demonstrated to fabricate thickness-controllable FTCFs through coffee ring lithography (CRL) of single-wall carbon nanotube (SWCNT)/poly(3,4-ethylenedioxythiophene)-polystyrenesulfonate (PEDOT:PSS) hybrid ink. The influence of ink concentration and volume on the thickness and size of hybrid film has been investigated systematically. Results show that the final FTCFs present a high performance, including a homogeneous thickness of 60-65 nm, a sheet resistance of 1.8 kohm/sq, a visible/infrared-range transmittance (79%, PET = 90%), and a dynamic mechanical property (>1000 cycle, much better than ITO film), respectively, when SWCNT concentration is 0.2 mg/mL, ink volume is 0.4 μL, drying at room temperature. Moreover, the benefits of these kinds of FTCFs have been verified through a full transparent, flexible noncontact sensing panel (3 × 4 sensing pixels) and a flexible battery-free wireless sensor based on a humidity sensing mechanism, showing excellent human/machine interaction with high sensitivity, good stability, and fast response/recovery ability. © 2015 American Chemical Society.

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

International Nuclear Information System (INIS)

Schmidt, Tobias; Kümmel, Stephan; Kraisler, Eli; Makmal, Adi; Kronik, Leeor

2014-01-01

We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional's parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest

Hybrid ion-exchange membranes for fuel cells and separation processes

Energy Technology Data Exchange (ETDEWEB)

Fernandez-Carretero, F.J.; Compan, V. [Departamento de Termodinamica Aplicada, ETSII, Universidad Politecnica de Valencia, 46020 Valencia (Spain); Riande, E. [Instituto de Ciencia y Tecnologia de Polimeros (CSIC), 28006 Madrid (Spain)

2007-11-08

This work reports the preparation and characterization of hybrid membranes cast from dispersions of inorganic fillers in sulfonated polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene solutions. Silica gel, SBA-15 and sepiolite, all of them functionalized with phenylsulfonic acid groups, were used as fillers. For comparative purposes, the performance of composite membranes cast from dispersions of functionalized inorganic fillers in Nafion {sup registered} solutions was investigated. Inspection of the texture of the membranes by using SEM techniques shows that the fillers are better dispersed in sulfonated polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene than in Nafion {sup registered}. The value of the water uptake for the membranes prepared from the former polyelectrolyte is in most cases at least three times that measured for hybrid Nafion {sup registered} membranes. The conductivity of the membranes was measured at 80 C by impedance spectroscopy obtaining values of 3.44, 6.90 and 3.54 S m{sup -1} for the hybrid membranes based on the triblock copolymer containing functionalized silica gel, SBA-15 and sepiolite fillers, respectively. These results compare very favourably with those obtained at 80 C for Nafion {sup registered} hybrid membranes containing silica gel, SBA-15 and sepiolite, all of them fuctionalized with phenylsulfonic acid groups, whose conductivities are, 2.84, 6.75 and 3.31 S m{sup -1}, respectively. Resistance measurements carried out under controlled humidity conditions show that the conductivity of sulfonated triblock copolymer membranes containing functionalized SBA-15 filler undergoes a rather sharp increase when they are conditioned under an atmosphere of 75%, or larger, relative humidity. (author)

A functionalized phosphonate-rich organosilica layered hybrid material (PSLM) fabricated through a mild process for heavy metal uptake

Energy Technology Data Exchange (ETDEWEB)

Daikopoulos, Chris [Department of Materials Science and Engineering, University of Ioannina, Ioannina 45110 (Greece); Bourlinos, Athanasios B. [Institute of Materials Science, NCSR “Demokritos”, Ag. Paraskevi Attikis, Athens 15310 (Greece); Georgiou, Yiannis [Laboratory of Physical Chemistry, Department of Environmental and Natural Resources Management, University of Patras, Seferi 2, Agrinio 30100 (Greece); Deligiannakis, Yiannis, E-mail: ideligia@cc.uoi.gr [Laboratory of Physical Chemistry, Department of Environmental and Natural Resources Management, University of Patras, Seferi 2, Agrinio 30100 (Greece); Zboril, Radek [Regional Centre of Advanced Technologies and Materials, Faculty of Science, Department of Physical Chemistry and Experimental Physics, Palacky University, Olomouc 77146 (Czech Republic); Karakassides, Michael A. [Department of Materials Science and Engineering, University of Ioannina, Ioannina 45110 (Greece)

2014-04-01

Highlights: • Novel phosphonate-rich organosilica layered hybrid material (PSLM) fabricated through a mild xerogel process. • Surface Complexation Modeling reveals that PSLM bears 2 types of functional groups able to bind heavy metal. • Maximum metal uptake capacities were found 2.72 mmol g{sup −1} for Cu{sup 2+}, 1.67 mmol g{sup −1} for Pb{sup 2+} and 1.00 mmol g{sup −1} for Cd{sup 2+} at pH 7. • EPR spectroscopy reveals local coordination environment for Cu{sup 2+} ions. - Abstract: A phosphonate-rich organosilica layered hybrid material (PSLM) made of 3-(trihydroxysilyl)propyl methylphosphonate, monosodium salt, as the single silica source, has been obtained from its aqueous solution through a xerogel process and mild thermal aging. The method is simple, affording bulk quantities of powdered PSLM in a single-step. The hybrid is stable in water and possesses a high content of phosphonate groups fixed on the solid matrix. In addition, PSLM shows good thermal stability, which exceeds 300 °C in air. The material was characterized using SEM, TEM, XRD, FT-IR and TGA techniques. Potentiometric titrations show that PSLM bears high-surface density of phosphonate groups (3 mmol g{sup −1}). As a result, the material displays high metal uptake capacity for heavy metal ions such as Cu{sup 2+} (2.72 mmol g{sup −1}), Pb{sup 2+} (1.67 mmol g{sup −1}) and Cd{sup 2+} (1.00 mmol g{sup −1}) at neutral pH values e.g. the pH of natural waters. Detailed theoretical modeling using a Surface Complexation Model combined with Electron Paramagnetic Resonance (EPR) spectroscopy shows that the surface distribution of surface bound Cu{sup 2+} ions is rather homogeneous e.g. copper-binding phosphonate sites are arranged in average distances 5–8 Å.

Corporate Hybrid Bonds

OpenAIRE

Ahlberg, Johan; Jansson, Anton

2016-01-01

Hybrid securities do not constitute a new phenomenon in the Swedish capital markets. Most commonly, hybrids issued by Swedish real estate companies in recent years are preference shares. Corporate hybrid bonds on the other hand may be considered as somewhat of a new-born child in the family of hybrid instruments. These do, as all other hybrid securities, share some equity-like and some debt-like characteristics. Nevertheless, since 2013 the interest for the instrument has grown rapidly and ha...

Amine-oxide hybrid materials for acid gas separations

KAUST Repository

Bollini, Praveen; Didas, Stephanie A.; Jones, Christopher W.

2011-01-01

Organic-inorganic hybrid materials based on porous silica materials functionalized with amine-containing organic species are emerging as an important class of materials for the adsorptive separation of acid gases from dilute gas streams

IMPULSE CONTROL HYBRID ELECTRICAL SYSTEM

Directory of Open Access Journals (Sweden)

A. A. Lobaty

2016-01-01

Full Text Available This paper extends the recently introduced approach for modeling and solving the optimal control problem of fixedswitched mode DC-DC power converter. DCDC converters are a class of electric power circuits that used extensively in regulated DC power supplies, DC motor drives of different types, in Photovoltaic Station energy conversion and other applications due to its advantageous features in terms of size, weight and reliable performance. The main problem in controlling this type converters is in their hybrid nature as the switched circuit topology entails different modes of operation, each of it with its own associated linear continuous-time dynamics.This paper analyses the modeling and controller synthesis of the fixed-frequency buck DC-DC converter, in which the transistor switch is operated by a pulse sequence with constant frequency. In this case the regulation of the DC component of the output voltage is via the duty cycle. The optimization of the control system is based on the formation of the control signal at the output.It is proposed to solve the problem of optimal control of a hybrid system based on the formation of the control signal at the output of the controller, which minimizes a given functional integral quality, which is regarded as a linear quadratic Letov-Kalman functional. Search method of optimal control depends on the type of mathematical model of control object. In this case, we consider a linear deterministic model of the control system, which is common for the majority of hybrid electrical systems. For this formulation of the optimal control problem of search is a problem of analytical design of optimal controller, which has the analytical solution.As an example of the hybrid system is considered a step-down switching DC-DC converter, which is widely used in various electrical systems: as an uninterruptible power supply, battery charger for electric vehicles, the inverter in solar photovoltaic power plants.. A

Study of lower hybrid current drive for the demonstration reactor

Energy Technology Data Exchange (ETDEWEB)

Molavi-Choobini, Ali Asghar [Dept. of Physics, Faculty of Engineering, Islamic Azad University, Shahr-e-kord Branch, Shahr-e-kord (Iran, Islamic Republic of); Naghidokht, Ahmed [Dept. of Physics, Urmia University, Urmia (Iran, Islamic Republic of); Karami, Zahra [Dept. of Engineering, Islamic Azad University, Zanjan Branch, Zanjan (Iran, Islamic Republic of)

2016-06-15

Steady-state operation of a fusion power plant requires external current drive to minimize the power requirements, and a high fraction of bootstrap current is required. One of the external sources for current drive is lower hybrid current drive, which has been widely applied in many tokamaks. Here, using lower hybrid simulation code, we calculate electron distribution function, electron currents and phase velocity changes for two options of demonstration reactor at the launched lower hybrid wave frequency 5 GHz. Two plasma scenarios pertaining to two different demonstration reactor options, known as pulsed (Option 1) and steady-state (Option 2) models, have been analyzed. We perceive that electron currents have major peaks near the edge of plasma for both options but with higher efficiency for Option 1, although we have access to wider, more peripheral regions for Option 2. Regarding the electron distribution function, major perturbations are at positive velocities for both options for flux surface 16 and at negative velocities for both options for flux surface 64.

Hybrid switch for resonant power converters

Science.gov (United States)

Lai, Jih-Sheng; Yu, Wensong

2014-09-09

A hybrid switch comprising two semiconductor switches connected in parallel but having different voltage drop characteristics as a function of current facilitates attainment of zero voltage switching and reduces conduction losses to complement reduction of switching losses achieved through zero voltage switching in power converters such as high-current inverters.

Hybrid photonic-crystal fiber

Science.gov (United States)

Markos, Christos; Travers, John C.; Abdolvand, Amir; Eggleton, Benjamin J.; Bang, Ole

2017-10-01

This article offers an extensive survey of results obtained using hybrid photonic-crystal fibers (PCFs) which constitute one of the most active research fields in contemporary fiber optics. The ability to integrate novel and functional materials in solid- and hollow-core PCFs through various postprocessing methods has enabled new directions toward understanding fundamental linear and nonlinear phenomena as well as novel application aspects, within the fields of optoelectronics, material and laser science, remote sensing, and spectroscopy. Here the recent progress in the field of hybrid PCFs is reviewed from scientific and technological perspectives, focusing on how different fluids, solids, and gases can significantly extend the functionality of PCFs. The first part of this review discusses the efforts to develop tunable linear and nonlinear fiber-optic devices using PCFs infiltrated with various liquids, glasses, semiconductors, and metals. The second part concentrates on recent and state-of-the-art advances in the field of gas-filled hollow-core PCFs. Extreme ultrafast gas-based nonlinear optics toward light generation in the extreme wavelength regions of vacuum ultraviolet, pulse propagation, and compression dynamics in both atomic and molecular gases, and novel soliton-plasma interactions are reviewed. A discussion of future prospects and directions is also included.

Low-Power Built-In Self-Test Techniques for Embedded SRAMs

Directory of Open Access Journals (Sweden)

Shyue-Kung Lu

2007-01-01

Full Text Available The severity of power consumption during parallel BIST of embedded memory cores is growing significantly. In order to alleviate this problem, a row bank-based precharge technique based on the divided wordline (DWL architecture is proposed for low-power testing of embedded SRAMs. The memory cell array is first divided into row banks. The effectiveness of the row bank-based precharge technique is due to the predictable address sequence during test. In low-power test mode, instead of precharging the entire memory array, only the current accessed row bank is precharged. This will result in significant power saving for the precharge circuitry. The precharge power can be reduced to 1/b of that of the traditional precharge techniques, where b denotes the number of row banks in the memory array. With simple transmission gates and inverters, the modified precharge control circuitry was also designed. The hardware overhead for implementing the low-power technique is almost negligible. Moreover, the corresponding BIST design to implement the low-power technique is almost the same as the conventional BIST designs. It is also notable that the inherent low-power characteristics of the DWL architecture can be preserved. According to experimental results, 48.9% power reduction can be achieved for a 256 × 256 bit-oriented SRAM. The memory is divided into 8 row banks. Moreover, if the number of row banks increases, the power saving will also increase.

Vocal communication in an avian hybrid zone

NARCIS (Netherlands)

Hartog, Paula Maria den

2008-01-01

Avian vocalizations function in mate attraction and territorial defence. Vocalizations can act as behavioural barriers and play an important role in speciation processes. Hybrid zones illustrate behavioural barriers are not always impermeable and provide a natural laboratory to examine the role of

Hybrid Predictive Control for Dynamic Transport Problems

CERN Document Server

Núñez, Alfredo A; Cortés, Cristián E

2013-01-01

Hybrid Predictive Control for Dynamic Transport Problems develops methods for the design of predictive control strategies for nonlinear-dynamic hybrid discrete-/continuous-variable systems. The methodology is designed for real-time applications, particularly the study of dynamic transport systems. Operational and service policies are considered, as well as cost reduction. The control structure is based on a sound definition of the key variables and their evolution. A flexible objective function able to capture the predictive behaviour of the system variables is described. Coupled with efficient algorithms, mainly drawn from the area of computational intelligence, this is shown to optimize performance indices for real-time applications. The framework of the proposed predictive control methodology is generic and, being able to solve nonlinear mixed-integer optimization problems dynamically, is readily extendable to other industrial processes. The main topics of this book are: ●hybrid predictive control (HPC) ...

A hybrid algorithm for selecting head-related transfer function based on similarity of anthropometric structures

Science.gov (United States)

Zeng, Xiang-Yang; Wang, Shu-Guang; Gao, Li-Ping

2010-09-01

As the basic data for virtual auditory technology, head-related transfer function (HRTF) has many applications in the areas of room acoustic modeling, spatial hearing and multimedia. How to individualize HRTF fast and effectively has become an opening problem at present. Based on the similarity and relativity of anthropometric structures, a hybrid HRTF customization algorithm, which has combined the method of principal component analysis (PCA), multiple linear regression (MLR) and database matching (DM), has been presented in this paper. The HRTFs selected by both the best match and the worst match have been applied into obtaining binaurally auralized sounds, which are then used for subjective listening experiments and the results are compared. For the area in the horizontal plane, the localization results have shown that the selection of HRTFs can enhance the localization accuracy and can also abate the problem of front-back confusion.

Quadratic integrand double-hybrid made spin-component-scaled

Energy Technology Data Exchange (ETDEWEB)

Brémond, Éric, E-mail: eric.bremond@iit.it; Savarese, Marika [CompuNet, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genoa (Italy); Sancho-García, Juan C.; Pérez-Jiménez, Ángel J. [Departamento de Química Física, Universidad de Alicante, E-03080 Alicante (Spain); Adamo, Carlo [CompuNet, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genoa (Italy); Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris IRCP, F-75005 Paris (France); Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris (France)

2016-03-28

We propose two analytical expressions aiming to rationalize the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) schemes for double-hybrid exchange-correlation density-functionals. Their performances are extensively tested within the framework of the nonempirical quadratic integrand double-hybrid (QIDH) model on energetic properties included into the very large GMTKN30 benchmark database, and on structural properties of semirigid medium-sized organic compounds. The SOS variant is revealed as a less computationally demanding alternative to reach the accuracy of the original QIDH model without losing any theoretical background.

Hybrid protocols plus natural treatments for inflammatory conditions.

Science.gov (United States)

1998-01-01

Hybrid protocols combine one, two, or three pharmaceutical drugs with several nutritional or immune-based therapies. These protocols are not limited solely to FDA-approved drugs or strictly to alternative therapies. The rationale for using a hybrid protocol is to find an effective antiviral regimen that also restores immune function. The goal is to obtain the benefits of protease inhibitors without viral resistance and side effects which include problems with fat metabolism and cholesterol levels. Natural treatments for inflammatory conditions are also described. Options include licorice root, ginger root, and slippery elm.

Genomic networks of hybrid sterility.

Directory of Open Access Journals (Sweden)

Leslie M Turner

2014-02-01

Full Text Available Hybrid dysfunction, a common feature of reproductive barriers between species, is often caused by negative epistasis between loci ("Dobzhansky-Muller incompatibilities". The nature and complexity of hybrid incompatibilities remain poorly understood because identifying interacting loci that affect complex phenotypes is difficult. With subspecies in the early stages of speciation, an array of genetic tools, and detailed knowledge of reproductive biology, house mice (Mus musculus provide a model system for dissecting hybrid incompatibilities. Male hybrids between M. musculus subspecies often show reduced fertility. Previous studies identified loci and several X chromosome-autosome interactions that contribute to sterility. To characterize the genetic basis of hybrid sterility in detail, we used a systems genetics approach, integrating mapping of gene expression traits with sterility phenotypes and QTL. We measured genome-wide testis expression in 305 male F2s from a cross between wild-derived inbred strains of M. musculus musculus and M. m. domesticus. We identified several thousand cis- and trans-acting QTL contributing to expression variation (eQTL. Many trans eQTL cluster into eleven 'hotspots,' seven of which co-localize with QTL for sterility phenotypes identified in the cross. The number and clustering of trans eQTL-but not cis eQTL-were substantially lower when mapping was restricted to a 'fertile' subset of mice, providing evidence that trans eQTL hotspots are related to sterility. Functional annotation of transcripts with eQTL provides insights into the biological processes disrupted by sterility loci and guides prioritization of candidate genes. Using a conditional mapping approach, we identified eQTL dependent on interactions between loci, revealing a complex system of epistasis. Our results illuminate established patterns, including the role of the X chromosome in hybrid sterility. The integrated mapping approach we employed is

DanQ: a hybrid convolutional and recurrent deep neural network for quantifying the function of DNA sequences.

Science.gov (United States)

Quang, Daniel; Xie, Xiaohui

2016-06-20

Modeling the properties and functions of DNA sequences is an important, but challenging task in the broad field of genomics. This task is particularly difficult for non-coding DNA, the vast majority of which is still poorly understood in terms of function. A powerful predictive model for the function of non-coding DNA can have enormous benefit for both basic science and translational research because over 98% of the human genome is non-coding and 93% of disease-associated variants lie in these regions. To address this need, we propose DanQ, a novel hybrid convolutional and bi-directional long short-term memory recurrent neural network framework for predicting non-coding function de novo from sequence. In the DanQ model, the convolution layer captures regulatory motifs, while the recurrent layer captures long-term dependencies between the motifs in order to learn a regulatory 'grammar' to improve predictions. DanQ improves considerably upon other models across several metrics. For some regulatory markers, DanQ can achieve over a 50% relative improvement in the area under the precision-recall curve metric compared to related models. We have made the source code available at the github repository http://github.com/uci-cbcl/DanQ. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Wave-Particle Interactions Associated with Nongyrotropic Distribution Functions: A Hybrid Simulation Study

Science.gov (United States)

Convery, P. D.; Schriver, D.; Ashour-Abdalla, M.; Richard, R. L.

2002-01-01

Nongyrotropic plasma distribution functions can be formed in regions of space where guiding center motion breaks down as a result of strongly curved and weak ambient magnetic fields. Such are the conditions near the current sheet in the Earth's middle and distant magnetotail, where observations of nongyrotropic ion distributions have been made. Here a systematic parameter study of nongyrotropic proton distributions using electromagnetic hybrid simulations is made. We model the observed nongyrotropic distributions by removing a number of arc length segments from a cold ring distribution and find significant differences with the results of simulations that initially have a gyrotropic ring distribution. Model nongyrotropic distributions with initially small perpendicular thermalization produce growing fluctuations that diffuse the ions into a stable Maxwellian-like distribution within a few proton gyro periods. The growing waves produced by nongyrotropic distributions are similar to the electromagnetic proton cyclotron waves produced by a gyrotropic proton ring distribution in that they propagate parallel to the background magnetic field and occur at frequencies on the order of the proton gyrofrequency, The maximum energy of the fluctuating magnetic field increases as the initial proton distribution is made more nongyrotropic, that is, more highly bunched in perpendicular velocity space. This increase can be as much as twice the energy produced in the gyrotropic case.

A hybrid approach to device integration on a genetic analysis platform

International Nuclear Information System (INIS)

Brennan, Des; Justice, John; Aherne, Margaret; Galvin, Paul; Jary, Dorothee; Kurg, Ants; Berik, Evgeny; Macek, Milan

2012-01-01

Point-of-care (POC) systems require significant component integration to implement biochemical protocols associated with molecular diagnostic assays. Hybrid platforms where discrete components are combined in a single platform are a suitable approach to integration, where combining multiple device fabrication steps on a single substrate is not possible due to incompatible or costly fabrication steps. We integrate three devices each with a specific system functionality: (i) a silicon electro-wetting-on-dielectric (EWOD) device to move and mix sample and reagent droplets in an oil phase, (ii) a polymer microfluidic chip containing channels and reservoirs and (iii) an aqueous phase glass microarray for fluorescence microarray hybridization detection. The EWOD device offers the possibility of fully integrating on-chip sample preparation using nanolitre sample and reagent volumes. A key challenge is sample transfer from the oil phase EWOD device to the aqueous phase microarray for hybridization detection. The EWOD device, waveguide performance and functionality are maintained during the integration process. An on-chip biochemical protocol for arrayed primer extension (APEX) was implemented for single nucleotide polymorphism (SNiP) analysis. The prepared sample is aspirated from the EWOD oil phase to the aqueous phase microarray for hybridization. A bench-top instrumentation system was also developed around the integrated platform to drive the EWOD electrodes, implement APEX sample heating and image the microarray after hybridization. (paper)

Parental reactions to the morphologically correct and incorrect utterances of children / Ingrida Balèi͠nien︠

Index Scriptorium Estoniae

Balèi͠nien︠, Ingrida

2007-01-01

Vanema reaktsioone lapse korrektsetele ja ebakorrektsetele lausungitele analüüsitakse nii kvalitatiivselt kui kvantitatiivselt, samuti uuritakse reaktsiooni sõltuvust vea tüübist. Analüüs põhineb leedu ema ja lapse vaheliste vestluste longitudinaalsel uuringul

Metal phosphonate hybrid mesostructures: environmentally friendly multifunctional materials for clean energy and other applications.

Science.gov (United States)

Ma, Tian-Yi; Yuan, Zhong-Yong

2011-10-17

The synthesis of porous hybrid materials has been extended to mesoporous non-silica-based organic-inorganic hybrid materials, in which mesoporous metal phosphonates represent an important family. By using organically bridged polyphosphonic acids as coupling molecules, the homogeneous incorporation of a considerable number of organic functional groups into the metal phosphonate hybrid framework has been realized. Small amounts of organic additives and the pH value of the reaction solution have a large impact on the morphology and textural properties of the resultant hybrid mesoporous metal phosphonate solids. Cationic and nonionic surfactants can be used as templates for the synthesis of ordered mesoporous metal phosphonates. The materials are used as efficient adsorbents for heavy metal ions, CO₂, and aldehydes, as well as in the separation of polycyclic aromatic hydrocarbons. They are also useful photocatalysts under UV and simulated solar light irradiation for organic dye degradation. Further functionalization of the synthesized mesoporous hybrids makes them oxidation and acid catalysts, both with impressive performances in the fields of sustainable energy and environment. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Concept design for hybrid vehicle power systems

NARCIS (Netherlands)

Hofman, T.; Druten, van R.M.

2005-01-01

Hybridization implies adding a Secondary power source (e.g. electric motor and battery) (S) to a Primary power source (P) in order to improve the driving functions (e.g. fuel economy, driveability (performance)) of the vehicle. The fuel economy isstrongly determined by the energy management

Facile approach to prepare Pt decorated SWNT/graphene hybrid catalytic ink

Energy Technology Data Exchange (ETDEWEB)

Mayavan, Sundar, E-mail: sundarmayavan@cecri.res.in [Centre for Innovation in Energy Research, CSIR–Central Electrochemical Research Institute, Karaikudi 630006, Tamil Nadu (India); Department of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology, Daejeon, 305-701 (Korea, Republic of); Mandalam, Aditya; Balasubramanian, M. [Centre for Innovation in Energy Research, CSIR–Central Electrochemical Research Institute, Karaikudi 630006, Tamil Nadu (India); Sim, Jun-Bo [Department of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology, Daejeon, 305-701 (Korea, Republic of); Choi, Sung-Min, E-mail: sungmin@kaist.ac.kr [Department of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology, Daejeon, 305-701 (Korea, Republic of)

2015-07-15

Highlights: • Pt NPs were in situ synthesized onto CNT–graphene support in aqueous solution. • The as-prepared material was used directly as a catalyst ink without further treatment. • Catalyst ink is active toward methanol oxidation. • This approach realizes both scalable and greener production of hybrid catalysts. - Abstract: Platinum nanoparticles were in situ synthesized onto hybrid support involving graphene and single walled carbon nanotube in aqueous solution. We investigate the reduction of graphene oxide, and platinum nanoparticle functionalization on hybrid support by X-ray photoelectron spectroscopy, Raman spectroscopy, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The as-prepared platinum on hybrid support was used directly as a catalyst ink without further treatment and is active toward methanol oxidation. This work realizes both scalable and greener production of highly efficient hybrid catalysts, and would be valuable for practical applications of graphene based fuel cell catalysts.

The electrical and thermal transport properties of hybrid zigzag graphene-BN nanoribbons

Science.gov (United States)

Gao, Song; Lu, Wei; Zheng, Guo-Hui; Jia, Yalei; Ke, San-Huang

2017-06-01

The electron and phonon transport in hybrid graphene-BN zigzag nanoribbons are investigated by the nonequilibrium Green’s function method combined with density functional theory calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. The phonon transport calculations show that the ratio of C-chain number to BN-chain number will modify the thermal conductance of the hybrid nanoribbon in a complicated manner.

The electrical and thermal transport properties of hybrid zigzag graphene-BN nanoribbons

International Nuclear Information System (INIS)

Gao, Song; Lu, Wei; Zheng, Guo-Hui; Jia, Yalei; Ke, San-Huang

2017-01-01

The electron and phonon transport in hybrid graphene-BN zigzag nanoribbons are investigated by the nonequilibrium Green’s function method combined with density functional theory calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. The phonon transport calculations show that the ratio of C-chain number to BN-chain number will modify the thermal conductance of the hybrid nanoribbon in a complicated manner. (paper)

Battery requirements and technologies for micro hybrid applications

Energy Technology Data Exchange (ETDEWEB)

Karden, Eckhard; Ploumen, Serve; Spijker, Engbert [Ford Forschungszentrum Aachen GmbH (Germany); Kok, Daniel [Ford Dunton Engineering Center, Basildon, Essex (United Kingdom)

2010-07-01

Micro hybrids are part of all European carmakers' CO{sub 2} roadmaps and will get high market share, becoming a standard fit for mainstream powertrains. Starting from vehicle level, the paper outlines system requirements and typical technical solutions. A case study demonstrates potential and limitations of regenerative braking in micro hybrid systems. The lead/acid battery dynamic charge acceptance (DCA) is a major limitation for efficient energy recuperation, and hence fuel and CO{sub 2} saving in micro hybrids. Strengths and weaknesses of the lead/acid battery are discussed with respect to both classical automotive as well as the new micro hybrid applications. The latter impose characteristic high demands on the starting - lighting - ignition (SLI) battery or the storage system that is going to replace it, namely extensive shallow cycling at partial state of charge (PSOC) and significantly improved DCA. Delivering these additional functions robustly and reliably at minimum on-cost for high-volume applications is the key challenge that the automotive lead/acid battery industry is currently confronted with. (orig.)

Security Provision and Political Formation in Hybrid Orders

Directory of Open Access Journals (Sweden)

Michael Lawrence

2017-08-01

Full Text Available The security sector reform literature is increasingly turning towards the inclusion of non-state security providers, but the long-term patterns of political development to which such engagement might contribute remain underexplored. This article thus provides several lenses with which to understand the relationship between non-state security provision and political development. It first presents three perspectives (functionalism, political economy, and communitarianism with which to understand the nature and behavior of non-state security providers. Second, it outlines five possible long-term trajectories of political formation and the role of non-state security providers in each. These discussions highlight the idea of hybridity, and the remainder of the paper argues that the concept can be usefully applied in (at least two ways. The third section proposes that hybridity can help overcome longstanding but misleading conceptual binaries, while the fourth rearticulates hybridity as a dynamic developmental process – 'hybridization' – that can be contrasted with security politics as the underlying logic by which security providers (both state and non-state interact and change over time.

Hybrid vehicle assessment. Phase I. Petroleum savings analysis

Energy Technology Data Exchange (ETDEWEB)

Levin, R.; Liddle, S.; Deshpande, G.; Trummel, M.; Vivian, H.

1984-03-01

This report presents the results of a comprehensive analysis of near-term electric-hybrid vehicles. Its purpose was to estimate their potential to save significant amounts of petroleum on a national scale in the 1990s. Performance requirements and expected annual usage patterns of these vehicles were first modeled. The projected US fleet composition was estimated, and conceptual hybrid vehicle designs were conceived and analyzed for petroleum use when driven in the expected annual patterns. These petroleum consumption estimates were then compared to similar estimates for projected 1990 conventional vehicles having the same performance and driven in the same patterns. Results are presented in the form of three utility functions and comparisons of several conceptual designs are made. The Hybrid Vehicle (HV) design and assessment techniques are discussed and a general method is explained for selecting the optimum energy management strategy for any vehicle-mission-battery combination. A discussion of lessons learned during the construction and test of the General Electric Hybrid Test Vehicle is also presented. Conclusions and recommendations are presented, and development recommendations are identified.

ZnO-nanocarbon core-shell type hybrid quantum dots

CERN Document Server

Choi, Won Kook

2017-01-01

This book offers a comprehensive overview of ZnO-nano carbon core shell hybrid issues. There is significant interest in metal oxide/nanocarbon hybrid functional materials in the field of energy conversion and storage as electrode materials for supercapacitors, Li ion secondary battery, electrocatalysts for water splitting, and optoelectronic devices such as light emitting diodes and solar photovoltaic cells. Despite efforts to manipulate more uniform metal oxide-nanocarbon nanocomposite structures, they have shown poor performance because they are randomly scattered and non-uniformly attached to the nanocarbon surface. For higher and more effective performance of the hybrid structure, 3D conformal coating on metal oxides are highly desirable. In the first part of the book, the physical and chemical properties of ZnO and nanocarbons and the state-of-the-art in related research are briefly summarized. In the next part, the 3D conformal coating synthetic processes of ZnO templated nanocarbon hybrid materials suc...

Benefits of a parallel hybrid electric architecture on medium commercial vehicles

Energy Technology Data Exchange (ETDEWEB)

Boot, Marco Aimo; Consano, Ludovico [Iveco S.p.A, Turin (Italy)

2009-07-01

Hybrid electric technology is becoming an increasingly interesting solution for medium and heavy trucks involved in urban and suburban missions. The increasing demand for gas and oil, consequent price rises and environmental concerns are driving a market that is in need of alternative solutions. For these reasons, the growth in the global hybrid market significantly exceeded all the hybrid sales forecasts. The parallel hybrid electric vehicle (PHEV) employs an additional power source (electric motogenerator) in combination with the conventional diesel engine. This architecture exploits the benefits of both power sources in order to reduce the fuel consumption, increase the overall power, and above all, decrease CO2 emissions. Moreover, the emissions reduction target is lead by EU Regulations and local initiatives for traffic limitations, but the real drivers for the growth in the market are demonstrable fuel economy improvements and productivity costs optimization (global efficiency). This paper presents the results achieved by Iveco in the development and testing of parallel hybrid systems applied to medium range commercial vehicles, with the intent to evaluate the functionality, driveability performance and leading the best reduction in terms of fuel consumption and emissions in different real-world missions. The system architecture foresees one electric motor/generator and a single clutch unit. An external electrical power source for the battery recharging it is not necessary. The chosen configuration allows to implement the following functional modes: Stop and Start with Electric Launch, Hybrid Mode, Regenerative Braking Mode, Inertial Start and Creeping Mode. The software contained in the supervisor control unit has been tuned to the customer specific missions, taking in account on road data acquisition in order to demonstrate the reliability, driveability and the overall efficiency of the hybrid system. The field tests carried out in collaboration with

Engineering hybrid Co-picene structures with variable spin coupling

Energy Technology Data Exchange (ETDEWEB)

Zhou, Chunsheng [Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Shan, Huan; Li, Bin, E-mail: libin@mail.ustc.edu.cn, E-mail: adzhao@ustc.edu.cn; Zhao, Aidi, E-mail: libin@mail.ustc.edu.cn, E-mail: adzhao@ustc.edu.cn; Wang, Bing [Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-04-25

We report on the in situ engineering of hybrid Co-picene magnetic structures with variable spin coupling using a low-temperature scanning tunneling microscope. Single picene molecules adsorbed on Au(111) are manipulated to accommodate individual Co atoms one by one, forming stable artificial hybrid structures with magnetism introduced by the Co atoms. By monitoring the evolution of the Kondo effect at each site of Co atom, we found that the picene molecule plays an important role in tuning the spin coupling between individual Co atoms, which is confirmed by theoretical calculations based on the density-functional theory. Our findings indicate that the hybrid metal-molecule structures with variable spin coupling on surfaces can be artificially constructed in a controlled manner.

Allelic asymmetry of the Lethal hybrid rescue (Lhr) gene expression in the hybrid between Drosophila melanogaster and D. simulans: confirmation by using genetic variations of D. melanogaster.

Science.gov (United States)

Shirata, Mika; Araye, Quenta; Maehara, Kazunori; Enya, Sora; Takano-Shimizu, Toshiyuki; Sawamura, Kyoichi

2014-02-01

In the cross between Drosophila melanogaster females and D. simulans males, hybrid males die at the late larval stage, and the sibling females also die at later stages at high temperatures. Removing the D. simulans allele of the Lethal hybrid rescue gene (Lhr (sim) ) improves the hybrid incompatibility phenotypes. However, the loss-of-function mutation of Lhr (sim) (Lhr (sim0) ) does not rescue the hybrid males in crosses with several D. melanogaster strains. We first describe the genetic factor possessed by the D. melanogaster strains. It has been suggested that removing the D. melanogaster allele of Lhr (Lhr (mel) ), that is Lhr (mel0) , does not have the hybrid male rescue effect, contrasting to Lhr (sim0) . Because the expression level of the Lhr gene is known to be Lhr (sim) > Lhr (mel) in the hybrid, Lhr (mel0) may not lead to enough of a reduction in total Lhr expression. Then, there is a possibility that the D. melanogaster factor changes the expression level to Lhr (sim) Lhr (mel) in the hybrid irrespectively of the presence of the factor. At last, we showed that Lhr (mel0) slightly improves the viability of hybrid females, which was not realized previously. All of the present results are consistent with the allelic asymmetry model of the Lhr gene expression in the hybrid.

Eetiline või normatiivne etteheide? : süü mõistest kriminaalõiguses / Jaan Sootak

Index Scriptorium Estoniae

Sootak, Jaan, 1948-

1998-01-01

Süü mõistest õigusfilosoofias ja kriminaalõigusdogmaatikas, klassikalisest kuriteomõistest, Erik Wolfi normatiivsest kurjategijatüübist, eluviisisüüst ja iseloomusüüst, tahtevabadusest, relatiivsest indeterminismist ning süüst kui ühiskondlikust nähtusest

A new hybrid BCI paradigm based on P300 and SSVEP.

Science.gov (United States)

Wang, Minjue; Daly, Ian; Allison, Brendan Z; Jin, Jing; Zhang, Yu; Chen, Lanlan; Wang, Xingyu

2015-04-15

P300 and steady-state visual evoked potential (SSVEP) approaches have been widely used for brain-computer interface (BCI) systems. However, neither of these approaches can work for all subjects. Some groups have reported that a hybrid BCI that combines two or more approaches might provide BCI functionality to more users. Hybrid P300/SSVEP BCIs have only recently been developed and validated, and very few avenues to improve performance have been explored. The present study compares an established hybrid P300/SSVEP BCIs paradigm to a new paradigm in which shape changing, instead of color changing, is adopted for P300 evocation to decrease the degradation on SSVEP strength. The result shows that the new hybrid paradigm presented in this paper yields much better performance than the normal hybrid paradigm. A performance increase of nearly 20% in SSVEP classification is achieved using the new hybrid paradigm in comparison with the normal hybrid paradigm. All the paradigms except the normal hybrid paradigm used in this paper obtain 100% accuracy in P300 classification. The new hybrid P300/SSVEP BCIs paradigm in which shape changing, instead of color changing, could obtain as high classification accuracy of SSVEP as the traditional SSVEP paradigm and could obtain as high classification accuracy of P300 as the traditional P300 paradigm. P300 did not interfere with the SSVEP response using the new hybrid paradigm presented in this paper, which was superior to the normal hybrid P300/SSVEP paradigm. Copyright © 2014 Elsevier B.V. All rights reserved.

Hybrid principle with applications to synthesis

International Nuclear Information System (INIS)

Nanneh, M.M.

1991-01-01

The theory of hybrid principles is presented together with the transformation rule for converting odd-parity approximations into even-parity approximations. This rule leads to a method which provides rigorous upper and lower bounds for the disadvantage factor for a reactor lattice cell. With these bounds very precise benchmarks have been constructed for representative lattices. It is found that a combination of even and odd-parity solutions for the neutron flux is much more efficient than solutions based on either the even-parity or odd-parity. This is the basis of one synthesis scheme. In another synthesis method, a hybrid principle with trial functions for both the even- and odd- parity angular flux is used in conjunction with a classical principle with an odd-parity trial function. The synthesis process is efficient because the largest set of equations to be solved, i.e. the frame work, involves as few as one unknown per node of the finite element mesh. The effectiveness of the synthesis method is demonstrated for a thick shield problem. (author)

Scalar field dark matter in hybrid approach

NARCIS (Netherlands)

Friedrich, Pavel; Prokopec, Tomislav

2017-01-01

We develop a hybrid formalism suitable for modeling scalar field dark matter, in which the phase-space distribution associated to the real scalar field is modeled by statistical equal-time two-point functions and gravity is treated by two stochastic gravitational fields in the longitudinal gauge (in

Initial experience in hybrid PET-MRI for evaluation of refractory focal onset epilepsy.

Science.gov (United States)

Shin, Hae W; Jewells, Valerie; Sheikh, Arif; Zhang, Jingwen; Zhu, Hongtu; An, Hongyu; Gao, Wei; Shen, Dinggang; Hadar, Eldad; Lin, Weili

2015-09-01

We aim to evaluate the utility/improved accuracy of hybrid PET/MR compared to current practice separate 3T MRI and PET-CT imaging for localization of seizure foci. In a pilot study, twenty-nine patients undergoing epilepsy surgery evaluation were imaged using PET/MR. This subject group had 29 previous clinical 3T MRI as well as 12 PET-CT studies. Prior clinical PET and MR images were read sequentially while the hybrid PET/MR was concurrently read. The median interval between hybrid PET/MR and prior imaging studies was 5 months (range 1-77 months). In 24 patients, there was no change in the read between the clinical exams and hybrid PET/MR while new anatomical or functional lesions were identified by hybrid PET/MR in 5 patients without significant clinical change. Four new anatomical MR lesions were seen with concordant PET findings. The remaining patient revealed a new abnormal PET lesion without an MR abnormality. All new PET/MR lesions were clinically significant with concordant EEG and/or SPECT results as potential epileptic foci. Our initial hybrid PET-MRI experience increased diagnostic yields for detection of potential epileptic lesions. This may be due to the unique advantage of improved co-registration and simultaneous review of both structural and functional data. Copyright © 2015 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.

Full Gradient Solution to Adaptive Hybrid Control

Science.gov (United States)

Bean, Jacob; Schiller, Noah H.; Fuller, Chris

2017-01-01

This paper focuses on the adaptation mechanisms in adaptive hybrid controllers. Most adaptive hybrid controllers update two filters individually according to the filtered reference least mean squares (FxLMS) algorithm. Because this algorithm was derived for feedforward control, it does not take into account the presence of a feedback loop in the gradient calculation. This paper provides a derivation of the proper weight vector gradient for hybrid (or feedback) controllers that takes into account the presence of feedback. In this formulation, a single weight vector is updated rather than two individually. An internal model structure is assumed for the feedback part of the controller. The full gradient is equivalent to that used in the standard FxLMS algorithm with the addition of a recursive term that is a function of the modeling error. Some simulations are provided to highlight the advantages of using the full gradient in the weight vector update rather than the approximation.

Dispensing-based bioprinting of mechanically-functional hybrid scaffolds with vessel-like channels for tissue engineering applications - A brief review.

Science.gov (United States)

Naghieh, Saman; Sarker, Md; Izadifar, Mohammad; Chen, Xiongbiao

2018-02-01

Over the past decades, significant progress has been achieved in the field of tissue engineering (TE) to restore/repair damaged tissues or organs and, in this regard, scaffolds made from biomaterials have played a critical role. Notably, recent advances in biomaterials and three-dimensional (3D) printing have enabled the manipulation of two or more biomaterials of distinct, yet complementary, mechanical and/or biological properties to form so-called hybrid scaffolds mimicking native tissues. Among various biomaterials, hydrogels synthesized to incorporate living cells and/or biological molecules have dominated due to their hydrated tissue-like environment. Moreover, dispensing-based bioprinting has evolved to the point that it can now be used to create hybrid scaffolds with complex structures. However, the complexities associated with multi-material bioprinting and synthesis of hydrogels used for hybrid scaffolds pose many challenges for their fabrication. This paper presents a brief review of dispensing-based bioprinting of hybrid scaffolds for TE applications. The focus is on the design and fabrication of hybrid scaffolds, including imaging techniques, potential biomaterials, physical architecture, mechanical properties, cell viability, and the importance of vessel-like channels. The key issues and challenges for dispensing-based bioprinting of hybrid scaffolds are also identified and discussed along with recommendations for future research directions. Addressing these issues will significantly enhance the design and fabrication of hybrid scaffolds to and pave the way for translating them into clinical applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

De Novo Centromere Formation and Centromeric Sequence Expansion in Wheat and its Wide Hybrids.

Directory of Open Access Journals (Sweden)

Xiang Guo

2016-04-01

Full Text Available Centromeres typically contain tandem repeat sequences, but centromere function does not necessarily depend on these sequences. We identified functional centromeres with significant quantitative changes in the centromeric retrotransposons of wheat (CRW contents in wheat aneuploids (Triticum aestivum and the offspring of wheat wide hybrids. The CRW signals were strongly reduced or essentially lost in some wheat ditelosomic lines and in the addition lines from the wide hybrids. The total loss of the CRW sequences but the presence of CENH3 in these lines suggests that the centromeres were formed de novo. In wheat and its wide hybrids, which carry large complex genomes or no sequenced genome, we performed CENH3-ChIP-dot-blot methods alone or in combination with CENH3-ChIP-seq and identified the ectopic genomic sequences present at the new centromeres. In adcdition, the transcription of the identified DNA sequences was remarkably increased at the new centromere, suggesting that the transcription of the corresponding sequences may be associated with de novo centromere formation. Stable alien chromosomes with two and three regions containing CRW sequences induced by centromere breakage were observed in the wheat-Th. elongatum hybrid derivatives, but only one was a functional centromere. In wheat-rye (Secale cereale hybrids, the rye centromere-specific sequences spread along the chromosome arms and may have caused centromere expansion. Frequent and significant quantitative alterations in the centromere sequence via chromosomal rearrangement have been systematically described in wheat wide hybridizations, which may affect the retention or loss of the alien chromosomes in the hybrids. Thus, the centromere behavior in wide crosses likely has an important impact on the generation of biodiversity, which ultimately has implications for speciation.

Strongly coupled inorganic-nano-carbon hybrid materials for energy storage.

Science.gov (United States)

Wang, Hailiang; Dai, Hongjie

2013-04-07

The global shift of energy production from fossil fuels to renewable energy sources requires more efficient and reliable electrochemical energy storage devices. In particular, the development of electric or hydrogen powered vehicles calls for much-higher-performance batteries, supercapacitors and fuel cells than are currently available. In this review, we present an approach to synthesize electrochemical energy storage materials to form strongly coupled hybrids (SC-hybrids) of inorganic nanomaterials and novel graphitic nano-carbon materials such as carbon nanotubes and graphene, through nucleation and growth of nanoparticles at the functional groups of oxidized graphitic nano-carbon. We show that the inorganic-nano-carbon hybrid materials represent a new approach to synthesize electrode materials with higher electrochemical performance than traditional counterparts made by simple physical mixtures of electrochemically active inorganic particles and conducting carbon materials. The inorganic-nano-carbon hybrid materials are novel due to possible chemical bonding between inorganic nanoparticles and oxidized carbon, affording enhanced charge transport and increased rate capability of electrochemical materials without sacrificing specific capacity. Nano-carbon with various degrees of oxidation provides a novel substrate for nanoparticle nucleation and growth. The interactions between inorganic precursors and oxidized-carbon substrates provide a degree of control over the morphology, size and structure of the resulting inorganic nanoparticles. This paper reviews the recent development of inorganic-nano-carbon hybrid materials for electrochemical energy storage and conversion, including the preparation and functionalization of graphene sheets and carbon nanotubes to impart oxygen containing groups and defects, and methods of synthesis of nanoparticles of various morphologies on oxidized graphene and carbon nanotubes. We then review the applications of the SC-hybrid

Hybrid FES-robot cooperative control of ambulatory gait rehabilitation exoskeleton.

Science.gov (United States)

del-Ama, Antonio J; Gil-Agudo, Angel; Pons, José L; Moreno, Juan C

2014-03-04

Robotic and functional electrical stimulation (FES) approaches are used for rehabilitation of walking impairment of spinal cord injured individuals. Although devices are commercially available, there are still issues that remain to be solved. Control of hybrid exoskeletons aims at blending robotic exoskeletons and electrical stimulation to overcome the drawbacks of each approach while preserving their advantages. Hybrid actuation and control have a considerable potential for walking rehabilitation but there is a need of novel control strategies of hybrid systems that adequately manage the balance between FES and robotic controllers. Combination of FES and robotic control is a challenging issue, due to the non-linear behavior of muscle under stimulation and the lack of developments in the field of hybrid control. In this article, a cooperative control strategy of a hybrid exoskeleton is presented. This strategy is designed to overcome the main disadvantages of muscular stimulation: electromechanical delay and change in muscle performance over time, and to balance muscular and robotic actuation during walking.Experimental results in healthy subjects show the ability of the hybrid FES-robot cooperative control to balance power contribution between exoskeleton and muscle stimulation. The robotic exoskeleton decreases assistance while adequate knee kinematics are guaranteed. A new technique to monitor muscle performance is employed, which allows to estimate muscle fatigue and implement muscle fatigue management strategies. Kinesis is therefore the first ambulatory hybrid exoskeleton that can effectively balance robotic and FES actuation during walking. This represents a new opportunity to implement new rehabilitation interventions to induce locomotor activity in patients with paraplegia.Acronym list: 10 mWT: ten meters walking test; 6 MWT: six minutes walking test; FSM: finite-state machine; t-FSM: time-domain FSM; c-FSM: cycle-domain FSM; FES: functional electrical

Polyglycerol-functionalized nanodiamond as a platform for gene delivery: Derivatization, characterization, and hybridization with DNA

Directory of Open Access Journals (Sweden)

Li Zhao

2014-03-01

Full Text Available A gene vector consisting of nanodiamond, polyglycerol, and basic polypeptide (ND-PG-BPP has been designed, synthesized, and characterized. The ND-PG-BPP was synthesized by PG functionalization of ND through ring-opening polymerization of glycidol on the ND surface, multistep organic transformations (–OH → –OTs (tosylate → –N3 in the PG layer, and click conjugation of the basic polypeptides (Arg8, Lys8 or His8 terminated with propargyl glycine. The ND-PG-BPP exhibited good dispersibility in water (>1.0 mg/mL and positive zeta potential ranging from +14.2 mV to +44.1 mV at neutral pH in Milli-Q water. It was confirmed by gel retardation assay that ND-PG-Arg8 and ND-PG-Lys8 with higher zeta potential hybridized with plasmid DNA (pDNA through electrostatic attraction, making them promising as nonviral vectors for gene delivery.

Polyglycerol-functionalized nanodiamond as a platform for gene delivery: Derivatization, characterization, and hybridization with DNA

Science.gov (United States)

Zhao, Li; Nakae, Yuki; Qin, Hongmei; Ito, Tadamasa; Kimura, Takahide; Kojima, Hideto; Chan, Lawrence

2014-01-01

Summary A gene vector consisting of nanodiamond, polyglycerol, and basic polypeptide (ND-PG-BPP) has been designed, synthesized, and characterized. The ND-PG-BPP was synthesized by PG functionalization of ND through ring-opening polymerization of glycidol on the ND surface, multistep organic transformations (–OH → –OTs (tosylate) → –N3) in the PG layer, and click conjugation of the basic polypeptides (Arg8, Lys8 or His8) terminated with propargyl glycine. The ND-PG-BPP exhibited good dispersibility in water (>1.0 mg/mL) and positive zeta potential ranging from +14.2 mV to +44.1 mV at neutral pH in Milli-Q water. It was confirmed by gel retardation assay that ND-PG-Arg8 and ND-PG-Lys8 with higher zeta potential hybridized with plasmid DNA (pDNA) through electrostatic attraction, making them promising as nonviral vectors for gene delivery. PMID:24778723

Hybrid Qualifications Country report Denmark

DEFF Research Database (Denmark)

Jørgensen, Christian Helms

2010-01-01

The report explores the institutional and functional relations between the higher education (tertiary sector) and vocational education (higher secondary education) and the labour market. In the report are included descriptions of the history, funding, outcomes, institutional realisation and term ...... and range of hybrid qualifications in the national system. In addition some recommendations for constructive further developments are given.......The report explores the institutional and functional relations between the higher education (tertiary sector) and vocational education (higher secondary education) and the labour market. In the report are included descriptions of the history, funding, outcomes, institutional realisation and term...

Fast Response, Load-Matching Hybrid Fuel Cell: Final Technical Progress Report

Energy Technology Data Exchange (ETDEWEB)

Key, T. S.; Sitzlar, H. E.; Geist, T. D.

2003-06-01

Hybrid DER technologies interconnected with the grid can provide improved performance capabilities compared to a single power source, and, add value, when matched to appropriate applications. For example, in a typical residence, the interconnected hybrid system could provide power during a utility outage, and also could compensate for voltage sags in the utility service. Such a hybrid system would then function as a premium power provider and eliminate the potential need for an uninterruptible power supply. In this research project, a proton exchange membrane (PEM) fuel cell is combined with an asymmetrical ultracapacitor to provide robust power response to changes in system loading. This project also considers the potential of hybrid DER technologies to improve overall power system compatibility and performance. This report includes base year accomplishments of a proposed 3-year-option project.

PV-Diesel Hybrid SCADA Experiment Network Design

Science.gov (United States)

Kalu, Alex; Durand, S.; Emrich, Carol; Ventre, G.; Wilson, W.; Acosta, R.

1999-01-01

The essential features of an experimental network for renewable power system satellite based supervisory, control and data acquisition (SCADA) are communication links, controllers, diagnostic equipment and a hybrid power system. Required components for implementing the network consist of two satellite ground stations, to satellite modems, two 486 PCs, two telephone receivers, two telephone modems, two analog telephone lines, one digital telephone line, a hybrid-power system equipped with controller and a satellite spacecraft. In the technology verification experiment (TVE) conducted by Savannah State University and Florida Solar Energy Center, the renewable energy hybrid system is the Apex-1000 Mini-Hybrid which is equipped with NGC3188 for user interface and remote control and the NGC2010 for monitoring and basic control tasks. This power system is connected to a satellite modem via a smart interface, RS232. Commands are sent to the power system control unit through a control PC designed as PC1. PC1 is thus connected to a satellite model through RS232. A second PC, designated PC2, the diagnostic PC is connected to both satellite modems via separate analog telephone lines for checking modems'health. PC2 is also connected to PC1 via a telephone line. Due to the unavailability of a second ground station for the ACTS, one ground station is used to serve both the sending and receiving functions in this experiment. Signal is sent from the control PC to the Hybrid system at a frequency f(sub 1), different from f(sub 2), the signal from the hybrid system to the control PC. f(sub l) and f(sub 2) are sufficiently separated to avoid interference.

Hopping mixed hybrid excitations in multiple composite quantum wire structures

International Nuclear Information System (INIS)

Nguyen Ba An; Tran Thai Hoa

1995-10-01

A structure consisting of N pairs of inorganic semiconductor and organic quantum wires is considered theoretically. In such an isolated pair of wires, while the intrawire coupling forms Wannier-Mott exciton in an inorganic semiconductor quantum wire and Frenkel exciton in an organic one, the interwire coupling gives rise to hybrid excitons residing within the pair. When N pairs of wires are packed together 2N new mixed hybrid modes appear that are the true elementary excitations and can hop throughout the whole structure. Energies and wave functions of such hopping mixed hybrid excitations are derived analytically in detail accounting for the global interwire coupling and the different polarization configurations. (author). 19 refs

The plus-hybrid effect on the grain yield of two ZP maize hybrids

Directory of Open Access Journals (Sweden)

Božinović Sofija

2010-01-01

Full Text Available The combined effect of cytoplasmic male sterility and xenia on maize hybrid traits is referred to as the plus-hybrid effect. Two studied ZP hybrids differently responded to this effect for grain yield. All plus-hybrid combinations of the firstly observed hybrid had a higher yield than their fertile counterparts, but not significantly, while only one combination of the second hybrid positively responded, also without statistical significance. It seems that the observed effect mostly depended on the genotype of the female component.

Hybrid image and blood sampling input function for quantification of small animal dynamic PET data

International Nuclear Information System (INIS)

Shoghi, Kooresh I.; Welch, Michael J.

2007-01-01

We describe and validate a hybrid image and blood sampling (HIBS) method to derive the input function for quantification of microPET mice data. The HIBS algorithm derives the peak of the input function from the image, which is corrected for recovery, while the tail is derived from 5 to 6 optimally placed blood sampling points. A Bezier interpolation algorithm is used to link the rightmost image peak data point to the leftmost blood sampling point. To assess the performance of HIBS, 4 mice underwent 60-min microPET imaging sessions following a 0.40-0.50-mCi bolus administration of 18 FDG. In total, 21 blood samples (blood-sampled plasma time-activity curve, bsPTAC) were obtained throughout the imaging session to compare against the proposed HIBS method. MicroPET images were reconstructed using filtered back projection with a zoom of 2.75 on the heart. Volumetric regions of interest (ROIs) were composed by drawing circular ROIs 3 pixels in diameter on 3-4 transverse planes of the left ventricle. Performance was characterized by kinetic simulations in terms of bias in parameter estimates when bsPTAC and HIBS are used as input functions. The peak of the bsPTAC curve was distorted in comparison to the HIBS-derived curve due to temporal limitations and delay in blood sampling, which affected the rates of bidirectional exchange between plasma and tissue. The results highlight limitations in using bsPTAC. The HIBS method, however, yields consistent results, and thus, is a substitute for bsPTAC

BREEDING OF F1 HYBRIDS OF PUMPKIN FOR CANNING INDUSTRY

Directory of Open Access Journals (Sweden)

A. M. Shantasov

2016-01-01

Full Text Available As a result of crossing with patty pan squash with male sterility, the new parent lines of Cucurbita реро L., «ANZH» and «ANZ», with the original set of morphological traits («kabakson» based on the gene of male sterility of functional type were developed. The F1 hybrids with economically valuable features were obtained. These hybrids are characterized by small fruits of pickling types, high yield and biochemical content.

MIL-STD-1553 dynamic bus controller/remote terminal hybrid set

Science.gov (United States)

Friedman, S. N.

This paper describes the performance, physical and electrical requirements of a Dual Redundant BUS Interface Unit (BIU) acting as a BUS Controller Interface Unit (BCIU) or Remote Terminal Unit (RTU) between a Motorola 68000 VME BUS and MIL-STD-1553B Multiplex Data Bus. A discussion of how the BIU Hybrid set is programmed, and operates as a BCIU or RTU, will be included. This paper will review Dynamic Bus Control and other Mode Code capabilities. The BIU Hybrid Set interfaces to a 68000 Microprocessor with a VME Bus using programmed I/O transfers. This special interface will be discussed along with the internal Dual Access Memory (4K x 16) used to support the data exchanges between the CPU and the BIU Hybrid Set. The hybrid set's physical size and power requirements will be covered. This includes the present Double Eurocard the BIU function is presently being offered on.

Toronto hybrid taxi pilot

International Nuclear Information System (INIS)

Stevens, M.; Marans, B.

2009-10-01

This paper provided details of a hybrid taxi pilot program conducted to compare the on-road performance of Toyota Camry hybrid vehicles against conventional vehicles over a 1-year period in order to determine the business case and air emission reductions associated with the use of hybrid taxi cabs. Over 750,000 km worth of fuel consumption was captured from 10 Toyota Camry hybrids, a Toyota Prius, and 5 non-hybrid Camry vehicles over an 18-month period. The average real world fuel consumption for the taxis demonstrated that the Toyota Prius has the lowest cost of ownership, while the non-hybrid Camry has the highest cost of ownership. Carbon dioxide (CO 2 ) reductions associated with the 10 Camry hybrid taxis were calculated at 236 tonnes over a 7-year taxi service life. Results suggested that the conversion of Toronto's 5680 taxis would yield annual CO 2 emission reductions of over 19,000 tonnes. All hybrid purchasers identified themselves as highly likely to purchase a hybrid again. 5 tabs., 9 figs.

Toronto hybrid taxi pilot

Energy Technology Data Exchange (ETDEWEB)

Stevens, M. [CrossChasm Technologies, Cambridge, ON (Canada); Marans, B. [Toronto Atmospheric Fund, ON (Canada)

2009-10-15

This paper provided details of a hybrid taxi pilot program conducted to compare the on-road performance of Toyota Camry hybrid vehicles against conventional vehicles over a 1-year period in order to determine the business case and air emission reductions associated with the use of hybrid taxi cabs. Over 750,000 km worth of fuel consumption was captured from 10 Toyota Camry hybrids, a Toyota Prius, and 5 non-hybrid Camry vehicles over an 18-month period. The average real world fuel consumption for the taxis demonstrated that the Toyota Prius has the lowest cost of ownership, while the non-hybrid Camry has the highest cost of ownership. Carbon dioxide (CO{sub 2}) reductions associated with the 10 Camry hybrid taxis were calculated at 236 tonnes over a 7-year taxi service life. Results suggested that the conversion of Toronto's 5680 taxis would yield annual CO{sub 2} emission reductions of over 19,000 tonnes. All hybrid purchasers identified themselves as highly likely to purchase a hybrid again. 5 tabs., 9 figs.

A hybrid perturbation-Galerkin technique for partial differential equations

Science.gov (United States)

Geer, James F.; Anderson, Carl M.

1990-01-01

A two-step hybrid perturbation-Galerkin technique for improving the usefulness of perturbation solutions to partial differential equations which contain a parameter is presented and discussed. In the first step of the method, the leading terms in the asymptotic expansion(s) of the solution about one or more values of the perturbation parameter are obtained using standard perturbation methods. In the second step, the perturbation functions obtained in the first step are used as trial functions in a Bubnov-Galerkin approximation. This semi-analytical, semi-numerical hybrid technique appears to overcome some of the drawbacks of the perturbation and Galerkin methods when they are applied by themselves, while combining some of the good features of each. The technique is illustrated first by a simple example. It is then applied to the problem of determining the flow of a slightly compressible fluid past a circular cylinder and to the problem of determining the shape of a free surface due to a sink above the surface. Solutions obtained by the hybrid method are compared with other approximate solutions, and its possible application to certain problems associated with domain decomposition is discussed.

Coulomb Mediated Hybridization of Excitons in Coupled Quantum Dots.

Science.gov (United States)

Ardelt, P-L; Gawarecki, K; Müller, K; Waeber, A M; Bechtold, A; Oberhofer, K; Daniels, J M; Klotz, F; Bichler, M; Kuhn, T; Krenner, H J; Machnikowski, P; Finley, J J

2016-02-19

We report Coulomb mediated hybridization of excitonic states in optically active InGaAs quantum dot molecules. By probing the optical response of an individual quantum dot molecule as a function of the static electric field applied along the molecular axis, we observe unexpected avoided level crossings that do not arise from the dominant single-particle tunnel coupling. We identify a new few-particle coupling mechanism stemming from Coulomb interactions between different neutral exciton states. Such Coulomb resonances hybridize the exciton wave function over four different electron and hole single-particle orbitals. Comparisons of experimental observations with microscopic eight-band k·p calculations taking into account a realistic quantum dot geometry show good agreement and reveal that the Coulomb resonances arise from broken symmetry in the artificial semiconductor molecule.

Continuity controlled Hybrid Automata

NARCIS (Netherlands)

Bergstra, J.A.; Middelburg, C.A.

We investigate the connections between the process algebra for hybrid systems of Bergstra and Middelburg and the formalism of hybrid automata of Henzinger et al. We give interpretations of hybrid automata in the process algebra for hybrid systems and compare them with the standard interpretation

A hybrid clustering approach to recognition of protein families in 114 microbial genomes

Directory of Open Access Journals (Sweden)

Gogarten J Peter

2004-04-01

Full Text Available Abstract Background Grouping proteins into sequence-based clusters is a fundamental step in many bioinformatic analyses (e.g., homology-based prediction of structure or function. Standard clustering methods such as single-linkage clustering capture a history of cluster topologies as a function of threshold, but in practice their usefulness is limited because unrelated sequences join clusters before biologically meaningful families are fully constituted, e.g. as the result of matches to so-called promiscuous domains. Use of the Markov Cluster algorithm avoids this non-specificity, but does not preserve topological or threshold information about protein families. Results We describe a hybrid approach to sequence-based clustering of proteins that combines the advantages of standard and Markov clustering. We have implemented this hybrid approach over a relational database environment, and describe its application to clustering a large subset of PDB, and to 328577 proteins from 114 fully sequenced microbial genomes. To demonstrate utility with difficult problems, we show that hybrid clustering allows us to constitute the paralogous family of ATP synthase F1 rotary motor subunits into a single, biologically interpretable hierarchical grouping that was not accessible using either single-linkage or Markov clustering alone. We describe validation of this method by hybrid clustering of PDB and mapping SCOP families and domains onto the resulting clusters. Conclusion Hybrid (Markov followed by single-linkage clustering combines the advantages of the Markov Cluster algorithm (avoidance of non-specific clusters resulting from matches to promiscuous domains and single-linkage clustering (preservation of topological information as a function of threshold. Within the individual Markov clusters, single-linkage clustering is a more-precise instrument, discerning sub-clusters of biological relevance. Our hybrid approach thus provides a computationally efficient

Integrating Quality Matters into Hybrid Course Design: A Principles of Marketing Case Study

Science.gov (United States)

Young, Mark R.

2014-01-01

Previous research supports the idea that the success of hybrid or online delivery modes is more a function of course design than delivery media. This article describes a case study of a hybrid Principles of Marketing course that implemented a comprehensive redesign based on design principles espoused by the Quality Matters Program, a center for…

Hybrid systems, optimal control and hybrid vehicles theory, methods and applications

CERN Document Server

Böhme, Thomas J

2017-01-01

This book assembles new methods showing the automotive engineer for the first time how hybrid vehicle configurations can be modeled as systems with discrete and continuous controls. These hybrid systems describe naturally and compactly the networks of embedded systems which use elements such as integrators, hysteresis, state-machines and logical rules to describe the evolution of continuous and discrete dynamics and arise inevitably when modeling hybrid electric vehicles. They can throw light on systems which may otherwise be too complex or recondite. Hybrid Systems, Optimal Control and Hybrid Vehicles shows the reader how to formulate and solve control problems which satisfy multiple objectives which may be arbitrary and complex with contradictory influences on fuel consumption, emissions and drivability. The text introduces industrial engineers, postgraduates and researchers to the theory of hybrid optimal control problems. A series of novel algorithmic developments provides tools for solving engineering pr...

Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

Science.gov (United States)

Ambrosio, Francesco; Miceli, Giacomo; Pasquarello, Alfredo

2015-12-01

We investigate redox levels in aqueous solution using a combination of ab initio molecular dynamics (MD) simulations and thermodynamic integration methods. The molecular dynamics are performed with both the semilocal Perdew-Burke-Ernzerhof functional and a nonlocal functional (rVV10) accounting for van der Waals (vdW) interactions. The band edges are determined through three different schemes, namely, from the energy of the highest occupied and of the lowest unoccupied Kohn-Sham states, from total-energy differences, and from a linear extrapolation of the density of states. It is shown that the latter does not depend on the system size while the former two are subject to significant finite-size effects. For the redox levels, we provide a formulation in analogy to the definition of charge transition levels for defects in crystalline materials. We consider the H+/H2 level defining the standard hydrogen electrode, the OH-/OH∗ level corresponding to the oxidation of the hydroxyl ion, and the H2O/OH∗ level for the dehydrogenation of water. In spite of the large structural modifications induced in liquid water, vdW interactions do not lead to any significant structural effect on the calculated band gap and band edges. The effect on the redox levels is also small since the solvation properties of ionic species are little affected by vdW interactions. Since the electronic properties are not significantly affected by the underlying structural properties, it is justified to perform hybrid functional calculations on the configurations of our MD simulations. The redox levels calculated as a function of the fraction α of Fock exchange are found to remain constant, reproducing a general behavior previously observed for charge transition levels of defects. Comparison with experimental values shows very good agreement. At variance, the band edges and the band gap evolve linearly with α. For α ≃ 0.40, we achieve a band gap, band-edge positions, and redox levels in overall

Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

Energy Technology Data Exchange (ETDEWEB)

Ambrosio, Francesco, E-mail: Francesco.Ambrosio@epfl.ch; Miceli, Giacomo; Pasquarello, Alfredo [Chaire de Simulation à l’Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

2015-12-28

We investigate redox levels in aqueous solution using a combination of ab initio molecular dynamics (MD) simulations and thermodynamic integration methods. The molecular dynamics are performed with both the semilocal Perdew-Burke-Ernzerhof functional and a nonlocal functional (rVV10) accounting for van der Waals (vdW) interactions. The band edges are determined through three different schemes, namely, from the energy of the highest occupied and of the lowest unoccupied Kohn-Sham states, from total-energy differences, and from a linear extrapolation of the density of states. It is shown that the latter does not depend on the system size while the former two are subject to significant finite-size effects. For the redox levels, we provide a formulation in analogy to the definition of charge transition levels for defects in crystalline materials. We consider the H{sup +}/H{sub 2} level defining the standard hydrogen electrode, the OH{sup −}/OH{sup ∗} level corresponding to the oxidation of the hydroxyl ion, and the H{sub 2}O/OH{sup ∗} level for the dehydrogenation of water. In spite of the large structural modifications induced in liquid water, vdW interactions do not lead to any significant structural effect on the calculated band gap and band edges. The effect on the redox levels is also small since the solvation properties of ionic species are little affected by vdW interactions. Since the electronic properties are not significantly affected by the underlying structural properties, it is justified to perform hybrid functional calculations on the configurations of our MD simulations. The redox levels calculated as a function of the fraction α of Fock exchange are found to remain constant, reproducing a general behavior previously observed for charge transition levels of defects. Comparison with experimental values shows very good agreement. At variance, the band edges and the band gap evolve linearly with α. For α ≃ 0.40, we achieve a band gap, band

Continuity Controlled Hybrid Automata

NARCIS (Netherlands)

Bergstra, J.A.; Middelburg, C.A.

2004-01-01

We investigate the connections between the process algebra for hybrid systems of Bergstra and Middelburg and the formalism of hybrid automata of Henzinger et al. We give interpretations of hybrid automata in the process algebra for hybrid systems and compare them with the standard interpretation of

Continuity controlled hybrid automata

NARCIS (Netherlands)

Bergstra, J.A.; Middelburg, C.A.

2004-01-01

We investigate the connections between the process algebra for hybrid systems of Bergstra and Middelburg and the formalism of hybrid automata of Henzinger et al. We give interpretations of hybrid automata in the process algebra for hybrid systems and compare them with the standard interpretation of

Continuity controlled hybrid automata

NARCIS (Netherlands)

Bergstra, J.A.; Middelburg, C.A.

2006-01-01

We investigate the connections between the process algebra for hybrid systems of Bergstra and Middelburg and the formalism of hybrid automata of Henzinger et al. We give interpretations of hybrid automata in the process algebra for hybrid systems and compare them with the standard interpretation of

Solving SAT Problem Based on Hybrid Differential Evolution Algorithm

Science.gov (United States)

Liu, Kunqi; Zhang, Jingmin; Liu, Gang; Kang, Lishan

Satisfiability (SAT) problem is an NP-complete problem. Based on the analysis about it, SAT problem is translated equally into an optimization problem on the minimum of objective function. A hybrid differential evolution algorithm is proposed to solve the Satisfiability problem. It makes full use of strong local search capacity of hill-climbing algorithm and strong global search capability of differential evolution algorithm, which makes up their disadvantages, improves the efficiency of algorithm and avoids the stagnation phenomenon. The experiment results show that the hybrid algorithm is efficient in solving SAT problem.