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Sample records for molecules forming incomplete

  1. Incomplete pneumolysin oligomers form membrane pores.

    PubMed

    Sonnen, Andreas F-P; Plitzko, Jürgen M; Gilbert, Robert J C

    2014-01-01

    Pneumolysin is a member of the cholesterol-dependent cytolysin (CDC) family of pore-forming proteins that are produced as water-soluble monomers or dimers, bind to target membranes and oligomerize into large ring-shaped assemblies comprising approximately 40 subunits and approximately 30 nm across. This pre-pore assembly then refolds to punch a large hole in the lipid bilayer. However, in addition to forming large pores, pneumolysin and other CDCs form smaller lesions characterized by low electrical conductance. Owing to the observation of arc-like (rather than full-ring) oligomers by electron microscopy, it has been hypothesized that smaller oligomers explain smaller functional pores. To investigate whether this is the case, we performed cryo-electron tomography of pneumolysin oligomers on model lipid membranes. We then used sub-tomogram classification and averaging to determine representative membrane-bound low-resolution structures and identified pre-pores versus pores by the presence of membrane within the oligomeric curve. We found pre-pore and pore forms of both complete (ring) and incomplete (arc) oligomers and conclude that arc-shaped oligomeric assemblies of pneumolysin can form pores. As the CDCs are evolutionarily related to the membrane attack complex/perforin family of proteins, which also form variably sized pores, our findings are of relevance to that class of proteins as well. PMID:24759615

  2. Algodystrophy: complex regional pain syndrome and incomplete forms

    PubMed Central

    Giannotti, Stefano; Bottai, Vanna; Dell’Osso, Giacomo; Bugelli, Giulia; Celli, Fabio; Cazzella, Niki; Guido, Giulio

    2016-01-01

    Summary The algodystrophy, also known as complex regional pain syndrome (CRPS), is a painful disease characterized by erythema, edema, functional impairment, sensory and vasomotor disturbance. The diagnosis of CRPS is based solely on clinical signs and symptoms, and for exclusion compared to other forms of chronic pain. There is not a specific diagnostic procedure; careful clinical evaluation and additional test should lead to an accurate diagnosis. There are similar forms of chronic pain known as bone marrow edema syndrome, in which is absent the history of trauma or triggering events and the skin dystrophic changes and vasomotor alterations. These incomplete forms are self-limited, and surgical treatment is generally not needed. It is still controversial, if these forms represent a distinct self-limiting entity or an incomplete variant of CRPS. In painful unexplained conditions such as frozen shoulder, post-operative stiff shoulder or painful knee prosthesis, the algodystrophy, especially in its incomplete forms, could represent the cause. PMID:27252736

  3. Algodystrophy: complex regional pain syndrome and incomplete forms.

    PubMed

    Giannotti, Stefano; Bottai, Vanna; Dell'Osso, Giacomo; Bugelli, Giulia; Celli, Fabio; Cazzella, Niki; Guido, Giulio

    2016-01-01

    The algodystrophy, also known as complex regional pain syndrome (CRPS), is a painful disease characterized by erythema, edema, functional impairment, sensory and vasomotor disturbance. The diagnosis of CRPS is based solely on clinical signs and symptoms, and for exclusion compared to other forms of chronic pain. There is not a specific diagnostic procedure; careful clinical evaluation and additional test should lead to an accurate diagnosis. There are similar forms of chronic pain known as bone marrow edema syndrome, in which is absent the history of trauma or triggering events and the skin dystrophic changes and vasomotor alterations. These incomplete forms are self-limited, and surgical treatment is generally not needed. It is still controversial, if these forms represent a distinct self-limiting entity or an incomplete variant of CRPS. In painful unexplained conditions such as frozen shoulder, post-operative stiff shoulder or painful knee prosthesis, the algodystrophy, especially in its incomplete forms, could represent the cause. PMID:27252736

  4. Incomplete

    ERIC Educational Resources Information Center

    Stauffer, Sandra L.

    2011-01-01

    Elizabeth Parker's reflection on her experience as a musician educator working with children in an urban non-profit context is an uncomfortable read for me. In a courageous act, Parker makes public her private misgivings about her past experience and allows scrutiny of them in the form of two public commentaries as well as the private musings of…

  5. [Incomplete form of hypertrophc osteoarthropathy in a patient with breast cancer].

    PubMed

    Vandemergel, X; Ilisei, D; Hardy, S; Lefebvre, M

    2015-10-01

    Hypertrophic osteoarthropathy is sometimes the paraneoplasic manifestation of cancer of pulmonary origin. It is rarely present in case of breast cancer, even at a metastatic stage. In its complete form, this entity includes periostitis (predominantly bilateral and affecting upper and lower limbs), digital clubbing and, rarely, arthritis. We report the case of a female patient with metastatic breast cancer and an incomplete form of hypertrophic osteoarthropathy, clearly asymetric and without digital clubbing. PMID:26727836

  6. Dust-forming molecules in VY Canis Majoris (and Betelgeuse)

    NASA Astrophysics Data System (ADS)

    Kamiński, T.; Gottlieb, C. A.; Schmidt, M. R.; Patel, N. A.; Young, K. H.; Menten, K. M.; Brünken, S.; Müller, H. S. P.; Winters, J. M.; McCarthy, M. C.

    2013-05-01

    The formation of inorganic dust in circumstellar environments of evolved stars is poorly understood. Spectra of molecules thought to be most important for the nucleation, i.e. AlO, TiO, and TiO2, have been recently detected in the red supergiant VY CMa. These molecules are effectively formed in VY CMa and the observations suggest that non-equilibrium chemistry must be involved in their formation and nucleation into dust. In addition to exploring the recent observations of VY CMa, we briefly discuss the possibility of detecting these molecules in the "dust-poor" circumstellar environment of Betelgeuse.

  7. Decomposition of incomplete fusion

    SciTech Connect

    Sobotka, L.B.; Sarantities, D.G.; Stracener, D.W.; Majka, Z.; Abenante, V.; Semkow, T.M.; Hensley, D.C.; Beene, J.R.; Halbert, M.L.

    1989-01-01

    The velocity distribution of fusion-like products formed in the reaction 701 MeV /sup 28/Si+/sup 100/Mo is decomposed into 26 incomplete fusion channels. The momentum deficit of the residue per nonevaporative mass unit is approximately equal to the beam momentum per nucleon. The yields of the incomplete fusion channels correlate with the Q-value for projectile fragmentation rather than that for incomplete fusion. The backward angle multiplicities of light particles and heavy ions increase with momentum transfer, however, the heavy ion multiplicities also depend on the extent of the fragmentation of the incomplete fusion channel. These data indicate that at fixed linear momentum transfer, increased fragmentation of the unfused component is related to a reduced transferred angular momentum. 22 refs., 6 figs., 1 tab.

  8. The stereoconfiguration of newly formed molecules of bis(monoacylglycero)phosphate in BHK cells.

    PubMed

    Joutti, A

    1979-10-26

    Newly formed molecules of bis(monoacylglycero)phosphate (known also as lysobisphosphatidic acid), which were labeled with 32Pi in cultured BHK cells during relatively short pulses, were subjected to stereoanalysis. In contrast to the high proportion of sn-1-glycerophosphate residues in the bulk of the bis(monoacylglycero)phosphate molecules, the newly formed molecules were rich in sn-3-glycerophosphate residues. PMID:508774

  9. Organic crystals bearing both channels and cavities formed from tripodal adamantane molecules

    NASA Astrophysics Data System (ADS)

    Tominaga, Masahide; Iekushi, Akitaka; Katagiri, Kosuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Azumaya, Isao

    2013-08-01

    Three adamantane-based tripodal molecules bearing either a benzene, pyridine, or toluene unit (1-3) form molecular organic networks (1a-3a) with internal spaces, via intermolecular non-covalent interactions such as CH/π, CH/N, and CH/O interactions in the solid state. Crystals of 1a and 2a formed both one-dimensional channels and cavities, where guest molecules were encapsulated. The channels were derived from the alignment of the hexagonal cavities formed from six component molecules, while cavities formed between the 2D layers. In contrast, 3a contained only cavities built from the six component molecules, which correspond to the spaces which connected to form channels in 1a and 2a.

  10. Tracking molecular resonance forms of donor–acceptor push–pull molecules by single-molecule conductance experiments

    PubMed Central

    Lissau, Henriette; Frisenda, Riccardo; Olsen, Stine T.; Jevric, Martyn; Parker, Christian R.; Kadziola, Anders; Hansen, Thorsten; van der Zant, Herre S. J.; Brøndsted Nielsen, Mogens; Mikkelsen, Kurt V.

    2015-01-01

    The ability of molecules to change colour on account of changes in solvent polarity is known as solvatochromism and used spectroscopically to characterize charge-transfer transitions in donor–acceptor molecules. Here we report that donor–acceptor-substituted molecular wires also exhibit distinct properties in single-molecule electronics under the influence of a bias voltage, but in absence of solvent. Two oligo(phenyleneethynylene) wires with donor–acceptor substitution on the central ring (cruciform-like) exhibit remarkably broad conductance peaks measured by the mechanically controlled break-junction technique with gold contacts, in contrast to the sharp peak of simpler molecules. From a theoretical analysis, we explain this by different degrees of charge delocalization and hence cross-conjugation at the central ring. Thus, small variations in the local environment promote the quinoid resonance form (off), the linearly conjugated (on) or any form in between. This shows how the conductance of donor–acceptor cruciforms is tuned by small changes in the environment. PMID:26667583

  11. Modeling the production of highly-complex molecules in star-forming regions

    NASA Astrophysics Data System (ADS)

    Garrod, R. T.

    2016-05-01

    Molecules of increasing complexity are being observed toward star-forming regions, including the recently detected iso-propyl cyanide, the first interstellar branched carbon-chain molecule. Modeling the formation of new complex organics requires new grain-surface production mechanisms, as well as gas-phase and grain-surface destruction processes. The method for constructing networks for new molecules is discussed, as well as the results of recent models of branched carbon-chain molecule chemistry. The formation of both simple and complex organics in cold regions is also discussed. New, exact kinetics models indicate that complex molecules may be formed efficiently at very low temperatures, if CO is abundant on the grain surfaces.

  12. Development of male gender identity/role and a sexual orientation towards women in a 46,XY subject with an incomplete form of the androgen insensitivity syndrome.

    PubMed

    Gooren, L; Cohen-Kettenis, P T

    1991-10-01

    Transsexualism and homosexuality have been theorized to originate in the male from insufficient androgenization of the brain. For verification of this hypothesis clinical science must rely on subjects with an abnormal prenatal/perinatal endocrine history. A case of a 33-year-old 46,XY subject with an incomplete form of androgen insensitivity syndrome (AIS) is presented. In adulthood the only genital sign of masculinization is a clitoris of 4 cm; the vagina is normal size. The diagnosis AIS was verified by androgen receptor studies. At birth there was confusion as to the sex of the newborn. Originally, the subject was assigned to the male sex, but this decision was reversed 5 days after birth and the subject was reared as a girl. At age 30 the subject applied for gender reassignment treatment to the male sex. Upon psychological evaluation the gender identity was unambiguously male and the sexual orientation was exclusively towards women. The estrogen feedback effect on LH, regarded by some as a marker of the sexual differentiation of the neuroendocrinium was negative before orchiectomy but positive after orchiectomy. Our observation demonstrates that in 46,XY subjects a male gender identity and a sexual orientation towards women can develop with a strikingly lower-than-normal level of biological action of androgens. PMID:1747041

  13. Chemistry as mathematical system - Involutory forms of molecules and their genetic codes

    NASA Astrophysics Data System (ADS)

    Schulz, Lech P.

    2012-12-01

    Molecules are considered herein as mathematical forms expressed by groups grounded by certain involutory functions characterized axiomatically. For the first time, the basic involutory properties have been determined in the way covering both non-coordination and coordination chemical compounds approached from one view point. Thence, a general notion of a molecule has been derived equivalently to another system of axioms determining molecular forms of chemistry as the result of saturation-unsaturation phenomena. Groups generated by underlying chemical involutions turn out to be different from point or crystallographic ones explored in chemistry. Genetic codes (Dyck's presentations) of molecular involutory groups have been elicited for a few compounds.

  14. A Monte Carlo study of the mesophases formed by polar bent-shaped molecules.

    PubMed

    Orlandi, Silvia; Berardi, Roberto; Steltzer, Joachim; Zannoni, Claudio

    2006-03-28

    Liquid crystal phases formed by bent-shaped (or "banana") molecules are currently of great interest. Here we investigate by Monte Carlo computer simulations the phases formed by rigid banana molecules modeled combining three Gay-Berne sites and containing either one central or two lateral and transversal dipoles. We show that changing the dipole position and orientation has a profound effect on the mesophase stability and molecular organization. In particular, we find a uniaxial nematic phase only for off-center dipolar models and tilted phases only for the one with terminal dipoles. PMID:16599725

  15. A Monte Carlo study of the mesophases formed by polar bent-shaped molecules

    NASA Astrophysics Data System (ADS)

    Orlandi, Silvia; Berardi, Roberto; Steltzer, Joachim; Zannoni, Claudio

    2006-03-01

    Liquid crystal phases formed by bent-shaped (or "banana") molecules are currently of great interest. Here we investigate by Monte Carlo computer simulations the phases formed by rigid banana molecules modeled combining three Gay-Berne sites and containing either one central or two lateral and transversal dipoles. We show that changing the dipole position and orientation has a profound effect on the mesophase stability and molecular organization. In particular, we find a uniaxial nematic phase only for off-center dipolar models and tilted phases only for the one with terminal dipoles.

  16. Bond-forming reactions of small triply charged cations with neutral molecules.

    PubMed

    Fletcher, James D; Parkes, Michael A; Price, Stephen D

    2013-08-12

    Time-of-flight mass spectrometry reveals that atomic and small molecular triply charged cations exhibit extensive bond-forming chemistry, following gas-phase collisions with neutral molecules. These experiments show that at collision energies of a few eV, I(3+) reacts with a variety of small molecules to generate molecular monocations and molecular dications containing iodine. Xe(3+) and CS2(3+) react in a similar manner to I(3+), undergoing bond-forming reactions with neutrals. A simple model, involving relative product energetics and electrostatic interaction potentials, is used to account for the observed reactivity. PMID:23843367

  17. Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility.

    PubMed

    Singh, Saumya; Venugopalan, Vijay; Krishnamoorthy, Kothandam

    2014-07-14

    Judiciously chosen side chains of conjugated molecules have a positive impact on charge transport properties when used as the active material in organic electronic devices. Amongst the side chains, oligoethylene glycols (OEGs) have been relatively unexplored due to their hydrophilic nature. OEGs also affect the smooth film formation of conjugated molecules, which preclude device fabrication. However, X-ray diffraction studies have shown that OEGs facilitate intermolecular contact, which is a desirable property for the fabrication of organic electronic devices. Thus the challenge is to design and synthesize organic solvent soluble and uniform film forming conjugated molecules with OEG side chains. We have designed and synthesized conjugated small molecules (CSMs) comprising BODIPY as acceptor and triphenylamine as donor with an OEG side chain. This molecule forms smooth films when processed from organic solvents. In order to understand the impact of the OEG side chain, we have also synthesized alkyl chain analogs. All the molecules exhibit exactly the same HOMO and LUMO energy levels, but the packing in the solid state is different. CSM with methyl side chains exhibit an inter planar distance of 4.15 Å. Contrary to this, the OEG side chain containing CSM showed an inter planar spacing of 4.30 Å, which is 0.2 Å less than the alkyl side chain comprising CSMs. Please note that the length of the hydrophobic and hydrophilic side chains is the same. Interestingly, the OEG side chain comprising CSM showed two orders of higher hole carrier mobilities compared to all the other derivatives. The same molecule also showed an extremely low threshold voltage of -0.27 V indicating the OEG side chains' favourable interaction between substrate as well as between molecules. PMID:24874914

  18. Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules

    PubMed Central

    Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes

    2015-01-01

    The crystallization behavior of methylthio- or methylsulfonyl-containing spacer extended Z,Z-bis-ene–yne molecules capped with trimethylsilyl groups obtained by (tandem) thiophene ring fragmentation and of two non-spacer extended analogs were investigated. The rigid and linear molecules generally crystallized in layers whereby the flexibility of the layer interfaces formed by the silyl groups leads to a remarkably rich crystal chemistry. The molecules with benzene and thiophene spacers both crystallized with C2/c symmetry and can be considered as merotypes. Increasing the steric bulk of the core by introduction of ethylenedioxythiophene (EDOT) gave a structure incommensurately modulated in the [010] direction. Further increase of steric demand in the case of a dimethoxythiophene restored periodicity along [010] but resulted in a doubling of the c vector. Two different polytypes were observed, which feature geometrically different layer interfaces (non-OD, order–disorder, polytypes), one with a high stacking fault probability. Oxidation of the methylthio groups of the benzene-based molecule to methylsulfonyl groups led to three polymorphs (two temperature-dependent), which were analyzed by Hirshfeld surface d e/d i fingerprint plots. The analogously oxidized EDOT-based molecule crystallized as systematic twins owing to its OD polytypism. Shortening of the backbone by removal of the aryl core resulted in an enantiomorphic structure and a further shortening by removal of a methylthio-ene fragment again in a systematically twinned OD polytype. PMID:26306200

  19. The First Detections of the Key Prebiotic Molecule PO in Star-forming Regions

    NASA Astrophysics Data System (ADS)

    Rivilla, V. M.; Fontani, F.; Beltrán, M. T.; Vasyunin, A.; Caselli, P.; Martín-Pintado, J.; Cesaroni, R.

    2016-08-01

    Phosphorus is a crucial element in biochemistry, in particular the P‑O bond, which is key in the formation of the backbone of deoxyribonucleic acid. So far, PO has only been detected toward the envelope of evolved stars, but never toward star-forming regions. We report the first detection of PO toward two massive star-forming regions, W51 e1/e2 and W3(OH), using data from the IRAM 30 m telescope. PN has also been detected toward the two regions. The abundance ratio PO/PN is 1.8 and 3 for W51 and W3(OH), respectively. Our chemical model indicates that the two molecules are chemically related and are formed via gas-phase ion–molecule and neutral–neutral reactions during cold collapse. The molecules freeze out onto grains at the end of the collapse and desorb during the warm-up phase once the temperature reaches ∼35 K. Similar abundances of the two species are expected during a period of ∼5 × 104 yr at the early stages of the warm-up phase, when the temperature is in the range 35–90 K. The observed molecular abundances of 10‑10 are predicted by the model if a relatively high initial abundance of 5 × 10‑9 of depleted phosphorus is assumed.

  20. The First Detections of the Key Prebiotic Molecule PO in Star-forming Regions

    NASA Astrophysics Data System (ADS)

    Rivilla, V. M.; Fontani, F.; Beltrán, M. T.; Vasyunin, A.; Caselli, P.; Martín-Pintado, J.; Cesaroni, R.

    2016-08-01

    Phosphorus is a crucial element in biochemistry, in particular the P‑O bond, which is key in the formation of the backbone of deoxyribonucleic acid. So far, PO has only been detected toward the envelope of evolved stars, but never toward star-forming regions. We report the first detection of PO toward two massive star-forming regions, W51 e1/e2 and W3(OH), using data from the IRAM 30 m telescope. PN has also been detected toward the two regions. The abundance ratio PO/PN is 1.8 and 3 for W51 and W3(OH), respectively. Our chemical model indicates that the two molecules are chemically related and are formed via gas-phase ion–molecule and neutral–neutral reactions during cold collapse. The molecules freeze out onto grains at the end of the collapse and desorb during the warm-up phase once the temperature reaches ˜35 K. Similar abundances of the two species are expected during a period of ˜5 × 104 yr at the early stages of the warm-up phase, when the temperature is in the range 35–90 K. The observed molecular abundances of 10‑10 are predicted by the model if a relatively high initial abundance of 5 × 10‑9 of depleted phosphorus is assumed.

  1. Millimeter and Submillimeter Studies of O(^1D) Insertion Reactions to Form Molecules of Astrophysical Interest

    NASA Astrophysics Data System (ADS)

    Hays, Brian; Wehres, Nadine; Deprince, Bridget Alligood; Roy, Althea A. M.; Laas, Jacob; Widicus Weaver, Susanna L.

    2015-06-01

    While both the number of detected interstellar molecules and their chemical complexity continue to increase, understanding of the processes leading to their formation is lacking. Our research group combines laboratory spectroscopy, observational astronomy, and astrochemical modeling for an interdisciplinary examination of the chemistry of star and planet formation. This talk will focus on our laboratory studies of O(^1D) insertion reactions with organic molecules to produce molecules of astrophysical interest. By employing these reactions in a supersonic expansion, we are able to produce interstellar organic reaction intermediates that are unstable under terrestrial conditions; we then probe the products using millimeter and submillimeter spectroscopy. We benchmarked this setup using the well-studied O(^1D) + methane reaction to form methanol. After optimizing methanol production, we moved on to study the O(^1D) + ethylene reaction to form vinyl alcohol (CH_2CHOH), and the O(^1D) + methyl amine reaction to form aminomethanol (NH_2CH_2OH). Vinyl alcohol measurements have now been extended up to 450 GHz, and the associated spectral analysis is complete. A possible detection of aminomethanol has also been made, and continued spectral studies and analysis are underway. We will present the results from these experiments and discuss future applications of these molecular and spectroscopic techniques.

  2. Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I

    NASA Astrophysics Data System (ADS)

    Takahashi, Masae; Ishikawa, Yoichi

    2013-06-01

    We perform dispersion-corrected first-principles calculations, and far-infrared (terahertz) spectroscopic experiments at 4 K, to examine translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. The calculated frequencies and relative intensities reproduce the observed spectrum to accuracy of 11 cm-1 or less. The stronger one of the two peaks assigned to the translational mode includes the stretching vibration of the weak hydrogen bond between the acetyl groups of a neighboring one-dimensional chain. The calculation of aspirin form II performed for comparison gives the stretching vibration of the weak hydrogen bond in one-dimensional chain.

  3. Ca2+-bound calmodulin forms a compact globular structure on binding four trifluoperazine molecules in solution.

    PubMed Central

    Matsushima, N; Hayashi, N; Jinbo, Y; Izumi, Y

    2000-01-01

    Small-angle X-ray scattering (SAXS), which determines the radius of gyration, R(g), and the pair distance distribution function, was used to investigate the conformational changes of calmodulin (CaM) on binding to an antagonist, trifluoperazine (TFP), with or without Ca(2+) in solution. We previously applied this SAXS method to CaM complexed with N-(6-aminohexyl)-5-chloro-1-naphthalenesulphonamide (W-7) [Osawa, Kuwamoto, Izumi, Yap, Ikura, Shibanuma, Yokokura, Hidaka and Matsushima (1999) FEBS Lett. 442, 173-177] and found that the binding of two W-7 TFP molecules to one Ca(2+)-saturated CaM molecule induces structural changes from a 'dumb-bell' shape to a compact globular shape. We report here that the most compact globular shape whose size is consistent with that of the 1:2 Ca(2+)-saturated CaM-W-7 complex is formed by the binding of four TFP molecules to one Ca(2+)-saturated CaM molecule. Even in the absence of Ca(2+), the conformational changes of CaM occur on TFP binding, giving a slightly smaller R(g) than Ca(2+)-free CaM alone. PMID:10727421

  4. Relating incomplete data and incomplete theory

    SciTech Connect

    Binetruy, P.; Kane, G.L.; Wang, Ting T.; Nelson, Brent D.; Wang, L.-T.

    2004-11-01

    Assuming string theorists will not soon provide a compelling case for the primary theory underlying particle physics, the field will proceed as it has historically: with data stimulating and testing ideas. Ideally the soft supersymmetry breaking Lagrangian will be measured and its patterns will point to the underlying theory. But there are two new problems. First a matter of principle: the theory may be simplest at distance scales and in numbers of dimensions where direct experiments are not possible. Second a practical problem: in the foreseeable future (with mainly hadron collider data) too few observables can be measured to lead to direct connections between experiment and theory. In this paper we discuss and study these issues and consider ways to circumvent the problems, studying models to test methods. We propose a semiquantitative method for focusing and sharpening thinking when trying to relate incomplete data to incomplete theory, as will probably be necessary.

  5. Small hydrocarbon molecules in cloud-forming brown dwarf and giant gas planet atmospheres

    NASA Astrophysics Data System (ADS)

    Bilger, C.; Rimmer, P.; Helling, Ch.

    2013-11-01

    We study the abundances of complex carbon-bearing molecules in the oxygen-rich dust-forming atmospheres of brown dwarfs and giant gas planets. The inner atmospheric regions that form the inner boundary for thermochemical gas-phase models are investigated. Results from DRIFT-PHOENIX atmosphere simulations, which include the feedback of phase-non-equilibrium dust cloud formation on the atmospheric structure and the gas-phase abundances, are utilized. The resulting element depletion leads to a shift in the carbon-to-oxygen ratio such that several hydrocarbon molecules and cyanopolyyne molecules can be present. An increase in surface gravity and/or a decrease in metallicity support the increase in the partial pressures of these species. CO, CO2, CH4 and HCN contain the largest fraction of carbon. In the upper atmosphere of low-metallicity objects, more carbon is contained in C4H than in CO, and also CH3 and C2H2 play an increasingly important role as carbon sink. We determine chemical relaxation time-scales to evaluate if hydrocarbon molecules can be affected by transport-induced quenching. Our results suggest that a considerable amount of C2H6 and C2H2 could be expected in the upper atmospheres not only of giant gas planets, but also of brown dwarfs. However, the exact quenching height strongly depends on the data source used. These results will have an impact on future thermokinetic studies, as they change the inner boundary condition for those simulations.

  6. A secreted form of the human lymphocyte cell surface molecule CD8 arises from alternative splicing

    SciTech Connect

    Giblin, P.; Kavathas, P. ); Ledbetter, J.A. )

    1989-02-01

    The human lymphocyte differentiation antigen CD8 is encoded by a single gene that gives rise to a 33- to 34-kDa glycoprotein expressed on the cell surface as a dimer and in higher molecular mass forms. The authors demonstrate that the mRNA is alternatively spliced so that an exon encoding a transmembrane domain is deleted. This gives rise to a 30-kDa molecule that is secreted and exists primarily as a monomer. mRNA corresponding to both forms is present in peripheral blood lymphocytes, Con A-activated peripheral blood lymphocytes, and three CD8{sup +} T-cell lines, with the membrane form being the major species. However, differences in the ratio of mRNA for membrane CD8 and secreted CD8 exist. In addition, the splicing pattern observed differs from the pattern found for the mouse CD8 gene. This mRNA is also alternatively spliced, but an exon encoding a cytoplasmic region is deleted, giving rise to a cell surface molecule that differs in its cytoplasmic tail from the protein encoded by the longer mRNA. Neither protein is secreted. This is one of the first examples of a different splicing pattern between two homologous mouse and human genes giving rise to very different proteins. This represents one mechanism of generating diversity during speciation.

  7. Therapeutic genome mutagenesis using synthetic donor DNA and triplex-forming molecules.

    PubMed

    Reza, Faisal; Glazer, Peter M

    2015-01-01

    Genome mutagenesis can be achieved in a variety of ways, though a select few are suitable for therapeutic settings. Among them, the harnessing of intracellular homologous recombination affords the safety and efficacy profile suitable for such settings. Recombinagenic donor DNA and mutagenic triplex-forming molecules co-opt this natural recombination phenomenon to enable the specific, heritable editing and targeting of the genome. Editing the genome is achieved by designing the sequence-specific recombinagenic donor DNA to have base mismatches, insertions, and deletions that will be incorporated into the genome when it is used as a template for recombination. Targeting the genome is similarly achieved by designing the sequence-specific mutagenic triplex-forming molecules to further recruit the recombination machinery thereby upregulating its activity with the recombinagenic donor DNA. This combination of extracellularly introduced, designed synthetic molecules and intercellularly ubiquitous, evolved natural machinery enables the mutagenesis of chromosomes and engineering of whole genomes with great fidelity while limiting nonspecific interactions. Herein, we demonstrate the harnessing of recombinagenic donor DNA and mutagenic triplex-forming molecular technology for potential therapeutic applications. These demonstrations involve, among others, utilizing this technology to correct genes so that they become physiologically functional, to induce dormant yet functional genes in place of non-functional counterparts, to place induced genes under regulatory elements, and to disrupt genes to abrogate a cellular vulnerability. Ancillary demonstrations of the design and synthesis of this recombinagenic and mutagenic molecular technology as well as their delivery and assayed interaction with duplex DNA reveal a potent technological platform for engineering specific changes into the living genome. PMID:25408401

  8. Phase Behavior of Different Forms of Ice Filled with Hydrogen Molecules

    NASA Astrophysics Data System (ADS)

    Hakim, Lukman; Koga, Kenichiro; Tanaka, Hideki

    2010-03-01

    A hybrid grand-canonical Monte Carlo simulation has been performed to investigate the hydrogen hydrate compounds in which hydrogen molecules are stored in ice II and ice Ic. A simple theoretical model, which can reproduce the simulation results, provides the phase diagrams of the two-component system in the pressure-composition plane. Stability enhancement of the two ice forms by hydrogen is quantified by the chemical potential calculation of water. The phase transitions among various phases including the two hydrogen hydrates are predicted as functions of pressure, hydrogen occupancy, and temperature.

  9. Phase behavior of different forms of ice filled with hydrogen molecules.

    PubMed

    Hakim, Lukman; Koga, Kenichiro; Tanaka, Hideki

    2010-03-19

    A hybrid grand-canonical Monte Carlo simulation has been performed to investigate the hydrogen hydrate compounds in which hydrogen molecules are stored in ice II and ice I{c}. A simple theoretical model, which can reproduce the simulation results, provides the phase diagrams of the two-component system in the pressure-composition plane. Stability enhancement of the two ice forms by hydrogen is quantified by the chemical potential calculation of water. The phase transitions among various phases including the two hydrogen hydrates are predicted as functions of pressure, hydrogen occupancy, and temperature. PMID:20366485

  10. Microsolvation of anions by molecules forming CH··X- hydrogen bonds

    NASA Astrophysics Data System (ADS)

    Nepal, Binod; Scheiner, Steve

    2015-12-01

    Various anions were surrounded by n molecules of CF3H, which was used as a prototype CH donor solvent, and the structures and energies studied by M06-2X calculations with a 6-31+G∗∗ basis set. Anions considered included the halides F-, Cl-, Br- and I-, as well as those with multiple proton acceptor sites: CN-, NO3-, HCOO-, CH3COO-, HSO4-, H2PO4-, and anions with higher charges SO42-, HPO42- and PO43-. Well structured cages were formed and the average H-bond energy decreases steadily as the number of surrounding solvent molecules rises, even when n exceeds 6 and the CF3H molecules begin to interact with one another rather than with the central anion. Total binding energies are very nearly proportional to the magnitude of the negative charge on the anion. The free energy of complexation becomes more negative for larger n initially, but then reaches a minimum and begins to rise for larger values of n.

  11. Surface Molecules Released by Trypanosoma cruzi Metacyclic Forms Downregulate Host Cell Invasion

    PubMed Central

    Clemente, Tatiana Mordente; Cortez, Cristian; Novaes, Antônio da Silva; Yoshida, Nobuko

    2016-01-01

    Background The question whether metacylic trypomastigote (MT) forms of different T. cruzi strains differentially release surface molecules, and how they affect host cell invasion, remains to be fully clarified. We addressed that question using T. cruzi strains that differ widely in the ability to invade cells. Methodology/Principal Findings Metacyclic forms were incubated at 37°C for 1 h in complete D10 medium or in nutrient-deprived PBS containing Ca2+ and Mg2+ (PBS++). The conditioned medium (CM), collected after parasite centrifugation, was used for cell invasion assays and Western blot analysis, using monoclonal antibodies directed to gp82 and gp90, the MT surface molecules that promote and negatively regulate invasion, respectively. CM of poorly invasive G strain (G-CM) contained high amounts of gp90 and gp82, either in vesicles or as soluble molecules. CM of highly invasive CL strain (CL-CM) contained gp90 and gp82 at very low levels. HeLa cells were incubated for 1 h with CL strain MT in D10, in absence or in the presence of G-CM or CL-CM. Parasite invasion was significantly inhibited by G-CM, but not by CL-CM. As G strain MT invasion rate in D10 is very low, assays with this strain were performed in PBS++, which induces invasion-promoting lysosome-spreading. G-CM, but not CL-CM, significantly inhibited G strain internalization, effect that was counteracted by preincubating G-CM with an anti-gp90 monoclonal antibody or anti-gp82 polyclonal antibody that do not recognize live MT. G strain CM generated in PBS++ contained much lower amounts of gp90 and gp82 as compared to CM produced in D10, and exhibited lower inhibitory effect on host cell invasion. Conclusion/Significance Our data suggest that the surface molecules spontaneously released by MT impair parasite-host cell interaction, gp82 presumably competing with the molecule expressed on MT surface for the host cell receptor, and gp90 further contributing to down modulate invasion. PMID:27483135

  12. Probing non polar interstellar molecules through their protonated form: Detection of protonated cyanogen (NCCNH+)★

    PubMed Central

    Agúndez, M.; Cernicharo, J.; de Vicente, P.; Marcelino, N.; Roueff, E.; Fuente, A.; Gerin, M.; Guélin, M.; Albo, C.; Barcia, A.; Barbas, L.; Bolaño, R.; Colomer, F.; Diez, M. C.; Gallego, J. D.; Gómez-González, J.; López-Fernández, I.; López-Fernández, J. A.; López-Pérez, J. A.; Malo, I.; Serna, J. M.; Tercero, F.

    2015-01-01

    Cyanogen (NCCN) is the simplest member of the series of dicyanopolyynes. It has been hypothesized that this family of molecules can be important constituents of interstellar and circumstellar media, although the lack of a permanent electric dipole moment prevents its detection through radioastronomical techniques. Here we present the first solid evidence of the presence of cyanogen in interstellar clouds through the detection of its protonated form toward the cold dark clouds TMC-1 and L483. Protonated cyanogen (NCCNH+) has been identified through the J = 5 – 4 and J = 10 – 9 rotational transitions using the 40m radiotelescope of Yebes and the IRAM 30m telescope. We derive beam averaged column densities for NCCNH+ of (8.6 ± 4.4) × 1010 cm−2 in TMC-1 and (3.9 ± 1.8) × 1010 cm−2 in L483, which translate to fairly low fractional abundances relative to H2, in the range (1-10) × 10−12. The chemistry of protonated molecules in dark clouds is discussed, and it is found that, in general terms, the abundance ratio between the protonated and non protonated forms of a molecule increases with increasing proton affinity. Our chemical model predicts an abundance ratio NCCNH+/NCCN of ~ 10−4, which implies that the abundance of cyanogen in dark clouds could be as high as (1-10) × 10−8 relative to H2, i.e., comparable to that of other abundant nitriles such as HCN, HNC, and HC3N. PMID:26543239

  13. The electrophoretically 'slow' and 'fast' forms of the alpha 2-macroglobulin molecule.

    PubMed Central

    Barrett, A J; Brown, M A; Sayers, C A

    1979-01-01

    alpha 2-Macroglobulin (alpha 2M) was isolated from human plasma by a four-step procedure: poly(ethylene glyco) fractionation, gel chromatography, euglobulin precipitation and immunoadsorption. No contaminants were detected in the final preparations by electrophoresis or immunoprecipitation. The protein ran as a single slow band in gel electrophoresis, and was designated 'S-alpha 2M'. S-alpha 2M bound about 2 mol of trypsin/mol. Treatment of S-alpha 2M with a proteinase or ammonium salts produced a form of the molecule more mobile in electrophoresis, and lacking proteinase-binding activity (F-alpha 2M). The electrophoretic mobility of the F-alpha 2M resulting from reaction with NH4+ salts was identical with that of proteinase complexes. We attribute the change in electrophoretic mobility of the alpha 2M to a conformation change, but there was no evidence of a change in pI or Strokes radius. Electrophoresis of S-alpha 2M in the presence of sodium dodecylsulphate gave results consistent with the view that the alpha 2M molecule is a tetramer of identical subunits, assembled as a non-covalent pair of disulphide-linked dimers. Some of the subunits seemed to be 'nicked' into two-thires-length and one-third-length chains, however. This was not apparent with F-alpha 2M produced by ammonium salts. F-alpha 2M produced by trypsin showed two new bands attributable to cleavage of the subunit polypeptide chain near the middle. Immunoassays of F-alpha 2M gave 'rockets' 12-29% lower than those with S-alpha 2M. The nature of the interactions between subunits in S-alpha 2M and F-alpha 2M was investigated by treating each form with glutaraldehyde before electrophoresis in the presence of sodium dodecyl sulphate. A much greater degree of cross-linking was observed with the F-alpha 2M, indicating that the subunits interact most closely in this form of the molecule. Exposure of S-alpha 2M to 3 M-urea or pH3 resulted in dissociation to the disulphide-bonded half-molecules; these did not

  14. Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network?

    PubMed

    Zhu, Weiduo; Zhao, Wen-Hui; Wang, Lu; Yin, Di; Jia, Min; Yang, Jinlong; Zeng, Xiao Cheng; Yuan, Lan-Feng

    2016-06-01

    The plethora of ice structures observed both in bulk and under nanoscale confinement reflects the extraordinary ability of water molecules to form diverse forms of hydrogen bonding networks. An ideal hydrogen bonding network of water should satisfy three requirements: (1) four hydrogen bonds connected with every water molecule, (2) nearly linear hydrogen bonds, and (3) tetrahedral configuration for the four hydrogen bonds around an O atom. However, under nanoscale confinement, some of the three requirements have to be unmet, and the selection of the specific requirement(s) leads to different types of hydrogen bonding structures. According to molecular dynamics (MD) simulations for water confined between two smooth hydrophobic walls, we obtain a phase diagram of three two-dimensional (2D) crystalline structures and a bilayer liquid. A new 2D bilayer ice is found and named the interlocked pentagonal bilayer ice (IPBI), because its side view comprises interlocked pentagonal channels. The basic motif in the top view of IPBI is a large hexagon composed of four small pentagons, resembling the top view of a previously reported "coffin" bilayer ice [Johnston, et al., J. Chem. Phys., 2010, 133, 154516]. First-principles optimizations suggest that both bilayer ices are stable. However, there are fundamental differences between the two bilayer structures due to the difference in the selection among the three requirements. The IPBI sacrifices the linearity of hydrogen bonds to retain locally tetrahedral configurations of the hydrogen bonds, whereas the coffin structure does the opposite. The tradeoff between the conditions of an ideal hydrogen bonding network can serve as a generic guidance to understand the rich phase behaviors of nanoconfined water. PMID:27063210

  15. Accurate statistical associating fluid theory for chain molecules formed from Mie segments.

    PubMed

    Lafitte, Thomas; Apostolakou, Anastasia; Avendaño, Carlos; Galindo, Amparo; Adjiman, Claire S; Müller, Erich A; Jackson, George

    2013-10-21

    A highly accurate equation of state (EOS) for chain molecules formed from spherical segments interacting through Mie potentials (i.e., a generalized Lennard-Jones form with variable repulsive and attractive exponents) is presented. The quality of the theoretical description of the vapour-liquid equilibria (coexistence densities and vapour pressures) and the second-derivative thermophysical properties (heat capacities, isobaric thermal expansivities, and speed of sound) are critically assessed by comparison with molecular simulation and with experimental data of representative real substances. Our new EOS represents a notable improvement with respect to previous versions of the statistical associating fluid theory for variable range interactions (SAFT-VR) of the generic Mie form. The approach makes rigorous use of the Barker and Henderson high-temperature perturbation expansion up to third order in the free energy of the monomer Mie system. The radial distribution function of the reference monomer fluid, which is a prerequisite for the representation of the properties of the fluid of Mie chains within a Wertheim first-order thermodynamic perturbation theory (TPT1), is calculated from a second-order expansion. The resulting SAFT-VR Mie EOS can now be applied to molecular fluids characterized by a broad range of interactions spanning from soft to very repulsive and short-ranged Mie potentials. A good representation of the corresponding molecular-simulation data is achieved for model monomer and chain fluids. When applied to the particular case of the ubiquitous Lennard-Jones potential, our rigorous description of the thermodynamic properties is of equivalent quality to that obtained with the empirical EOSs for LJ monomer (EOS of Johnson et al.) and LJ chain (soft-SAFT) fluids. A key feature of our reformulated SAFT-VR approach is the greatly enhanced accuracy in the near-critical region for chain molecules. This attribute, combined with the accurate modeling of second

  16. Local delivery of gene-modifying triplex-forming molecules to epidermis

    PubMed Central

    Rogers, Faye A.; Hu, Rong-Hua; Milstone, Leonard M.

    2012-01-01

    Epidermal keratinocytes are particularly suitable candidates for in situ gene correction. Intraperitoneal administration of a triplex-forming oligonucleotide (TFO) was shown previously to introduce DNA base changes in a reporter gene in skin, without identifying which cells had been targeted. We extend those previous experiments using two triplex-forming molecules (TFMs), a peptide nucleic acid (PNA-Antp) and a TFO (AG30), and two lines of transgenic mice that have the chromosomally integrated λsupFG1 shuttle-reporter transgene. Successful in vivo genomic modification occurs in epidermis and dermis in CD1 transgenic mice following either intraperitoneal or intradermal delivery of the PNA-Antennapedia conjugate. FITC-PNA-Antp accumulates in nuclei of keratinocytes and, after intradermal delivery of the PNA-Antp, chromosomally modified, keratin 5 positive basal keratinocytes persist for at least 10 days. In hairless (SKH1) mice with the λsupFG1 transgene, intradermal delivery of the TFO, AG30, introduces gene modifications in both tail and back skin and those chromosomal modifications persist in basal keratinocytes for 10 days. Hairless mice should facilitate comparison of various targeting agents and methods of delivery. Gene targeting by repeated local administration of oligonucleotides may prove clinically useful for judiciously selected disease-causing genes in the epidermis. PMID:23014335

  17. Between molecules and morphology. Extracellular matrix and creation of vascular form.

    PubMed Central

    Vernon, R. B.; Sage, E. H.

    1995-01-01

    In response to an angiogenic stimulus, ECs initiate programs of gene expression that result in the quantitative alteration of gene products within nuclear, cytoplasmic, cell surface, and extracellular compartments. During the formation of new microvasculature, patterns of molecular expression among individual ECs must direct the creation of complex, multicellular morphologies in two and three dimensions. Studies in vitro indicate that cell-generated forces of tension can organize ECM into structures that direct the behavior of single cells (via influences on cellular elongation, alignment, and migration) and that provide positional information for the creation of multicellular patterns. Significantly, the formation of organized matrical structures is controlled by gene products (of ECs or other cell types that populate the ECM) that influence the balance between the forces of cellular tension and the viscoelastic resistance of the ECM. Regulation of relevant genes could be accomplished by soluble molecular signals (eg, growth factors) and/or solid-state signals arising from specific arrangements of cytoskeletal structure that, in turn, are a function of the equilibrium between cellular tension and matrical resistance. Within cells, information for the construction of complex organelles is encoded in the shapes of the constituent molecules. Similarly, the creation of complex vascular architecture must be mediated by molecular shapes, a fact that is readily apparent in simple receptor-ligand interactions such as the binding of growth factors to ECs or the attachment of ECs to one another. However, between molecules and morphology also exists a set of multilayered, interactive, multimolecular systems that establish vascular form at unicellular and multicellular levels. Characterization of these systems is an elusive target that resides at the frontier of vascular biology; the identification of models in vitro that accurately reproduce macroscale events of vascular

  18. Phosphorus-bearing molecules in solar-type star forming regions: First PO detection.

    NASA Astrophysics Data System (ADS)

    Lefloch, Bertrand; Vastel, C.; Viti, S.; Jimenez-Serra, I.; Codella, C.; Podio, L.; Ceccarelli, C.; Mendoza, E.; Lepine, J. R. D.; Bachiller, R.

    2016-08-01

    As part of the Large Program ASAI (Astrochemical Surveys At IRAM), we have used the IRAM 30m telescope to lead a systematic search for the emission of rotational transitions of P-bearing species between 80 and 350 GHz towards L1157-B1, a shock position in the solar-type star forming region L1157. We report the detection of several transitions of PN and, for the first time, of prebiotic molecule PO. None of these species are detected towards the driving protostar of the outflow L1157-mm. Analysis of the line profiles shows that PN arises from the outflow cavity, where SiO, a strong shock tracer, is produced. Radiative transfer analysis yields an abundance of 2.5 × 10-9 and 0.9 × 10-9 for PO and PN, respectively. These results imply a strong depletion (≈100) of Phosphorus in the quiescent cloud gas. Shock modelling shows that atomic N plays a major role in the chemistry of PO and PN. The relative abundance of PO and PN brings constraints both on the duration of the pre-shock phase, which has to be ˜ 106 yr, and on the shock parameters. The maximum temperature in the shock has to be larger than 4000 K, which implies a shock velocity of 40 km s-1.

  19. Semantic Borders and Incomplete Understanding.

    PubMed

    Silva-Filho, Waldomiro J; Dazzani, Maria Virgínia

    2016-03-01

    In this article, we explore a fundamental issue of Cultural Psychology, that is our "capacity to make meaning", by investigating a thesis from contemporary philosophical semantics, namely, that there is a decisive relationship between language and rationality. Many philosophers think that for a person to be described as a rational agent he must understand the semantic content and meaning of the words he uses to express his intentional mental states, e.g., his beliefs and thoughts. Our argument seeks to investigate the thesis developed by Tyler Burge, according to which our mastery or understanding of the semantic content of the terms which form our beliefs and thoughts is an "incomplete understanding". To do this, we discuss, on the one hand, the general lines of anti-individualism or semantic externalism and, on the other, criticisms of the Burgean notion of incomplete understanding - one radical and the other moderate. We defend our understanding that the content of our beliefs must be described in the light of the limits and natural contingencies of our cognitive capacities and the normative nature of our rationality. At heart, anti-individualism leads us to think about the fact that we are social creatures, living in contingent situations, with important, but limited, cognitive capacities, and that we receive the main, and most important, portion of our knowledge simply from what others tell us. Finally, we conclude that this discussion may contribute to the current debate about the notion of borders. PMID:26111737

  20. A new crystal form of beta-cyclodextrin-ethanol inclusion complex: channel-type structure without long guest molecules.

    PubMed

    Aree, Thammarat; Chaichit, Narongsak

    2003-07-22

    A new crystal form of beta-cyclodextrin (beta-CD)[bond]ethanol[bond]dodecahydrate inclusion complex [(C(6)H(10)O(5))(7).0.3C(2)H(5)OH.12H(2)O] belongs to monoclinic space group C2 (form II) with unit cell constants a=19.292(1), b=24.691(1), c=15.884(1) A, beta=109.35(1) degrees. The beta-CD macrocycle is more circular than that of the complex in space group P2(1) [form I: J. Am. Chem. Soc. 113 (1991) 5676]. In form II, a disordered ethanol molecule (occupancy 0.3) is placed in the upper part of beta-CD cavity (above the O-4 plane) and is sustained by hydrogen bonding to water site W-2. In form I, an ethanol molecule located below the O-4-plane is well ordered because it hydrogen bonds to surrounding O-3[bond]H, O-6[bond]H groups of the symmetry-related beta-CD molecules. In the crystal lattice of form I, beta-CD macrocycles are stacked in a typical herringbone cage structure. By contrast, the packing structure of form II is a head-to-head channel that is stabilized at both O-2/O-3 and O-6 sides of each beta-CD by direct O(CD)...O(CD) and indirect O(CD)...O(W)...(O(W))...O(CD) hydrogen bonds. The 12 water molecules are disordered in 18 positions both inside the channel-like cavity of beta-CD dimer (W-1[bond]W-6) and in the interstices between the beta-CD macrocycles (W-7[bond]W-18). The latter forms a cluster that is hydrogen bonded together and to the neighboring beta-CD O[bond]H groups. PMID:12860429

  1. Spectroscopy of Cold LiCa Molecules Formed on Helium Nanodroplets

    PubMed Central

    2013-01-01

    We report on the formation of mixed alkali–alkaline earth molecules (LiCa) on helium nanodroplets and present a comprehensive experimental and theoretical study of the ground and excited states of LiCa. Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) spectroscopy and laser induced fluorescence (LIF) spectroscopy were used for the experimental investigation of LiCa from 15000 to 25500 cm–1. The 42Σ+ and 32Π states show a vibrational structure accompanied by distinct phonon wings, which allows us to determine molecular parameters as well as to study the interaction of the molecule with the helium droplet. Higher excited states (42Π, 52Σ+, 52Π, and 62Σ+) are not vibrationally resolved and vibronic transitions start to overlap. The experimental spectrum is well reproduced by high-level ab initio calculations. By using a multireference configuration interaction (MRCI) approach, we calculated the 19 lowest lying potential energy curves (PECs) of the LiCa molecule. On the basis of these calculations, we could identify previously unobserved transitions. Our results demonstrate that the helium droplet isolation approach is a powerful method for the characterization of tailor-made alkali–alkaline earth molecules. In this way, important contributions can be made to the search for optimal pathways toward the creation of ultracold alkali–alkaline earth ground state molecules from the corresponding atomic species. Furthermore, a test for PECs calculated by ab initio methods is provided. PMID:24028555

  2. Ordered quantum dot molecules and single quantum dots formed by self-organized anisotropic strain engineering

    SciTech Connect

    Lippen, T. van; Noetzel, R.; Hamhuis, G.J.; Wolter, J.H.

    2005-02-15

    An ordered lattice of lateral InAs quantum dot (QD) molecules is created by self-organized anisotropic strain engineering of an (In,Ga)As/GaAs superlattice (SL) template on GaAs(311)B by molecular-beam epitaxy, constituting a Turing pattern in solid state. The SL template and InAs QD growth conditions, such as the number of SL periods, growth temperatures, amount and composition of deposited (In,Ga)As, and insertion of Al-containing layers, are studied in detail for an optimized QD ordering within and among the InAs QD molecules on the SL template nodes, which is evaluated by atomic force microscopy. The average number of InAs QDs within the molecules is controlled by the thickness of the upper GaAs separation layer on the SL template and the (In,Ga)As growth temperature in the SL. The strain-correlated growth in SL template formation and QD ordering is directly confirmed by high-resolution x-ray diffraction. Ordered arrays of single InAs QDs on the SL template nodes are realized for elevated SL template and InAs QD growth temperatures together with the insertion of a second InAs QD layer. The InAs QD molecules exhibit strong photoluminescence (PL) emission up to room temperature. Temperature-dependent PL measurements exhibit an unusual behavior of the full width at half maximum, indicating carrier redistribution solely within the QD molecules.

  3. Halo Nucleic Molecules: Molecules Formed from at Least One Atom with a Halo Nucleus. Emphasis on 11,11Li_2 Along with Other Exotic Isotopologues.

    NASA Astrophysics Data System (ADS)

    Dattani, Nikesh S.; Welsh, Staszek

    2014-06-01

    Atoms whose nuclei have an exotic number of nucleons can have a `core nucleus' surrounded by a `halo' formed by a nucleon orbiting the core nucleus. For example, due to the two halo neutrons orbiting the core nucleus of 11Li, its nucleus has a cross section that is roughly the same size as that of 208Pb. Halo nucleic atoms have been studied extensively both in theory and in experiments, however halo nucleic molecules have not been studied in either. We first show, using HeH^+, BeH, and MgH as examples, that with measurements of any two isotopologues of a molecule, we can determine crucial properties of a third isotopologue well within spectroscopic accuracy. We then use the extremely precise empirical information available for the low-lying states of 6,6Li_2, 6,7Li_2 and 7,7Li_2 to predict potentials and various properties of the halo nucleic molecule 11,11Li_2, along with isotopologues containing 3Li, 4Li, 5Li, 8Li, 9Li, 10Li, and 12Li. We believe that our predictions of the ro-vibrational energies are reliable for experiments for the first detection of a halo nucleic molecule. R. J. Le Roy, N. S. Dattani, J. A. Coxon, A. J. Ross, P. Crozet, C. Linton, J. Chem. Phys. 131, 204309 (2009). N. S. Dattani, R. J. Le Roy, J. Mol. Spec. 268, 199-210 (2011). M. Semczuk, X. Li, W. Gunton, M. Haw, N. S. Dattani, J. Witz, A. Mills, D. J. Jones, K. W. Madison, Phys. Rev. A 87, 052505 (2013) W. Gunton, M. Semczuk, N. S. Dattani, K. W. Madison, Phys. Rev. A 88, 062510 (2013)

  4. Review of Crystalline Structures of Some Selected Homologous Series of Rod-Like Molecules Capable of Forming Liquid Crystalline Phases

    PubMed Central

    Zugenmaier, Peter

    2011-01-01

    The crystal structures of four homologous series of rod-like molecules are reviewed, two of which form hydrogen bonds and two with a symmetric chemical constitution. Many of the compounds investigated turn into liquid crystalline phases upon temperature increase. It is of valuable interest to know possible conformations and possible packing arrangements as prerequisites to model liquid crystalline structures. The hydrogen bonds of homologous series of pure 4-(ω-hydroxyalkyloxy)-4′-hydroxybiphenyl (HnHBP, n the alkyloxy tail length) are realized through head to tail arrangements of the hydroxyl groups and crystallize except one compound in chiral space groups without the molecules containing any asymmetric carbon. The hydrogen bonds of the homologous series of 4-substituted benzoic acids with various lengths of the tail provide dimers through strong polar bonding of adjacent carboxyl groups and thus provide the stiff part of a mesogenic unit prerequisite for liquid crystalline phases. The homologous series of dialkanoyloxybiphenyls (BP-n, n = 1, 19), of which nine compounds could be crystallized, show liquid crystalline behavior for longer alkane chain lengths, despite the high mobility of the alkane chain ends already detectable in the crystal phase. A single molecule, half a molecule or two half molecules form the asymmetric unit in a centrosymmetric space group. The homologous series of 1,4-terephthalidene-bis-N-(4′-n-alkylaniline) (TBAA-n) exhibit a large variety of packing arrangements in the crystalline state, with or without relying on the symmetry center within the molecules. PMID:22174604

  5. Semiflexible Chain Networks Formed via Self-Assembly of Beta-Hairpin Molecules

    NASA Astrophysics Data System (ADS)

    Ozbas, Bulent; Rajagopal, Karthikan

    2005-03-01

    We present experimental results from a de novo designed oligopeptide that intermolecularly self-assembles into rigid hydrogel networks after an intramolecular folding event. The effect of ionic strength and beta hairpin peptide strand length on beta-sheet formation, self-assembly and resultant rheological properties were studied. The peptide molecules are locally amphiphilic with two linear strands of alternating hydrophobic valine and hydrophilic lysine amino acids flanking a central turn sequence. The beta-sheet formation of 24, 20, 16 and 12 amino acid long beta-hairpin molecules were studied by CD spectroscopy. The network properties and the nanostructure of the hydrogels were studied by rheology, TEM and SANS. The hydrogel network is composed of semiflexible fibrillar assemblies with viscoelastic behavior that follows the theoretical prediction for heavily crosslinked,semi-flexible polymer networks. SANS results show that the cross-sectional diameter of the fibrils, and thus, the bending modulus of the chains can be varied by changing the number of amino acids of strands of the molecules. Rheological measurements reveal that rigidity, creep and relaxation behavior of the hydrogels vary with the magnitude of stimulus and with the cross-section diameter of the chains.

  6. Sulfur-bearing Molecules in Massive Star-forming Regions: Observations of OCS, CS, H2S, and SO

    NASA Astrophysics Data System (ADS)

    Li, Juan; Wang, Junzhi; Zhu, Qingfeng; Zhang, Jiangshui; Li, Di

    2015-03-01

    We studied the sulfur chemistry of massive star-forming regions through single-dish submillimeter spectroscopy. OCS, O13CS, 13CS, H2S, and SO transitions were observed toward a sample of massive star-forming regions with embedded UCH ii or CH ii regions. These sources could be divided into H ii-hot core and H ii-only sources based on their CH3CN emission. Our results show that the OCS line of thirteen sources is optically thick, with optical depth ranging from 5 to 16. Column densities of these molecules were computed under LTE conditions. CS column densities were also derived using its optically thin isotopologue 13CS. H2S is likely to be the most abundant gas-phase sulfuretted molecule in hot massive cores. Both the column density and abundance of sulfur-bearing molecules decrease significantly from H ii-hot core to H ii-only sources. Ages derived from hot core models appear to be consistent with star formation theories, suggesting that abundance ratios of [CS]/[SO], [SO]/[OCS], and [OCS]/[CS] could be used as chemical clocks in massive star-forming regions.

  7. Hydrocarbon oxidation vs C-C bond-forming approaches for efficient syntheses of oxygenated molecules.

    PubMed

    Fraunhoffer, Kenneth J; Bachovchin, Daniel A; White, M Christina

    2005-01-20

    [Reaction: see text] A hydrocarbon oxidation approach has been applied to the construction of several linear (E)-allylic alcohols that have served as intermediates in the synthesis of natural products and natural product-like molecules. In the original syntheses, these intermediates were constructed using a standard Wittig-type olefination approach. We report here that routes to these same intermediates designed around a hydrocarbon oxidation approach are more efficient both in the total number of functional group manipulations (FGMs) and overall steps, as well as in the overall yield. PMID:15646963

  8. Properties of complexes formed by Na(+), Mg(2+), and Fe(2+) binding with benzene molecules.

    PubMed

    Kolakkandy, Sujitha; Pratihar, Subha; Aquino, Adelia J A; Wang, Hai; Hase, William L

    2014-10-01

    A theoretical investigation was performed to study cation-π interactions in complexes of benzene (Bz) with cations, that is, M(z+)(Bz)n for M(z+) = Na(+), Mg(2+), Fe(2+) and n = 1-3, using MP2 theory with the 6-31+G* and 6-311++G** basis sets and the DFT/(B3LYP and B3LYP-D)/6-311++G** methods. Binding energies and structures of the complexes are reported. The splitting between the quintet and single states of the Fe(2+) complexes was found to depend on the number of benzene molecules in the complex and the complex's structure. All of the M(z+)(Bz) complexes prefer a half-sandwich geometry. A geometry with the cation sandwiched between the two benzene rings was found for the M(z+)(Bz)2 complexes, with the benzene rings either in an eclipsed or staggered conformation. An approximate cyclic structure, with the cation at its center, was found for three benzene molecules interacting with the cation. The cation-benzene binding energy is substantial and equal to 22, 108, and 151 kcal/mol for the Na(+)(Bz), Mg(2+)(Bz), and Fe(2+)(Bz) complexes, respectively. The strength of the interaction of the cation with an individual benzene molecule decreases as the number of benzene molecules bound to the cation increases; for example, it is 108 kcal/mol for Mg(2+)(Bz), but only 71 kcal/mol for Mg(2+)(Bz)3. There is a range of values for the M(z+)(Bz)n intermolecular vibrational frequencies; for example, they are ∼230-360 and ∼10-330 cm(-1) for the Mg(2+)(Bz) and Mg(2+)(Bz)3 complexes, respectively. Binding of the cation to benzene both red and blue shifts the benzene vibrational frequencies. This shifting is larger for the Mg(2+) and Fe(2+) complexes, as compared to those for Na(+), as a result of the former's stronger cation-benzene binding. The present study is an initial step to understand the possible importance of cation-π interactions for polycyclic aromatic hydrocarbon aggregation processes during soot formation. PMID:25144574

  9. Bent LC molecules with a 60° central core that can form B7 and B2 phases (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Watanabe, Junji

    2015-10-01

    We synthesized small-angle bent-core liquid-crystalline (LC) molecules based on a 1,2-bis(phenylethylene) benzene central core, containing seven aromatic rings and alkoxy tails with carbon numbers of 12, 16 and 18. This ortho-bistolane central core offers a 60° bend angle. Irrespective of this unusually small angle, these molecules can form banana smectic phases with a ferroelectric B7-antiferroelectric B2 phase sequence upon cooling as clarified from the micoscopic, X-ray and opto-electric observations. This indicates that despite of the low bend angle of 60°, these are able to be still packed into a layer with the polar bent direction parallel to the layer like ordinal banana molecules. The present result is striking since it had been believed that banana phases can only be stabilized when the bending angle is in the range from 110-140°, providing additional insight into the nature of banana-shaped molecules.

  10. About Some Of The Properties Of A Guest Molecule Confined In A Water Network, In Order To Form A Clathrate

    NASA Astrophysics Data System (ADS)

    Pérez, G. Bravo; Cruz-Torres, A.; Romero-Martínez, A.

    2008-03-01

    At conditions of high pressure and or low temperature, like a sea bottom from even 1 Km deep, hydrates formation may take place. Its presence is facilitated at the water/oil interface inside conducting oil pipelines. Once formed, the hydrates nucleate further to agglomerations, sticking to the inner surface of the tube. This represents a big problem to flow assurance. We present results contributing to a better understanding of the interaction of a guest molecule with a water cage confining it, that give rise to a hydrate formation. The hydrate structure, its formation energy, and the role that the H bond and its cooperative effect in the water network play in the electrostatic dipole moment of the hydrate, are presented. Molecular calculations using the HF/6-311g(d, p), B3LYP/6-311g(d, p), and B3LYP/6-311++g(d,p) methods, have been applied to compare three different hydrates, each one confining one, two CH4 molecules, and a CO2 molecule, requiring respectively n = 14, 35, and 15 water molecules for the confinement.

  11. Single Molecule Characterization of Conjugated Oligomers Formed through Radical Cyclization at a Surface

    NASA Astrophysics Data System (ADS)

    Tsai, Hsin-Zon; Riss, Alexander; Wickenburg, Sebastian; Tan, Liang; Gorman, Patrick; Oteyza, Dimas; Chen, Yen-Chia; Bradley, Aaron; Ugeda, Miguel; Etkin, Grisha; Louie, Steven; Fischer, Felix; Crommie, Michael

    2014-03-01

    Conjugated polymers have gained considerable attention due to their potential industrial applications and interesting fundamental properties. Real-space imaging their chemical bonds and understanding their electronic structures at the nanoscale could lead to enhanced control in the synthesis of these polymers for the potential applications in the nanoelectronics. Here, we present the synthesis and characterization of poly-acetylene derivatives resulting from cyclizations of enediyne molecules on an Au(111) surface. We performed non-contact atomic force microscopy (nc-AFM) with sub-molecular resolution to determine the precise chemical structure of cyclized monomers and chemically linked molecular chains. Additionally, STM measurements provide insight into the corresponding electronic structure and reveal a 1D conducting channel along the backbone of the conjugated oligomers, consistent with theoretical predictions. This work demonstrates the unique insight that can be gained by combining nc-AFM and STM to study the chemical and electronic structure of molecular assemblies at surfaces.

  12. Nanopore integrated with Au clusters formed under electron beam irradiation for single molecule analysis

    NASA Astrophysics Data System (ADS)

    Choi, Seong Soo; Park, Myoung Jin; Han, Chul Hee; Kim, Sung In; Yoo, Jung Ho; Park, Kyung Jin; Park, Nam Kyou; Kim, Yong-Sang

    2016-02-01

    Recently the single molecules such as protein and deoxyribonucleic acid (DNA) have been successfully characterized using a solidstate nanopore with an electrical detection technique. However, the optical plasmonic nanopore has yet to be fabricated. The optical detection technique can be better utilized as next generation ultrafast geneome sequencing devices due to the possible utilization of the current optical technique for genome sequencing. In this report, we have investigated the Au nanopore formation under the electron beam irradiation on an Au aperture. The circular-type nanoopening with ~ 5 nm diameter on the diffused membrane is fabricated by using 2 keV electron beam irradiation by using field emission scanning electron microscopy (FESEM). We found the Au cluster on the periphery of the drilled aperture under a 2 keV electron beam irradiation. Immediately right after electron beam irradiation, no Au cluster and no Au crystal lattice structure on the diffused plane are observed. However, after the sample was kept for ~ 6 months under a room environment, the Au clusters are found on the diffused membrane and the Au crystal lattice structures on the diffused membrane are also found using high resolution transmission electron microscopy. These phenomena can be attributed to Ostwald ripening. In addition, the Au nano-hole on the 40 nm thick Au membrane was also drilled by using 200 keV scanning transmission electron microscopy.

  13. Catalysis in the 3rd Dimension: How Organic Molecules May be Formed

    NASA Technical Reports Server (NTRS)

    Freund, Friedemann; DeVincenzi, D. (Technical Monitor)

    2001-01-01

    Catalysis is often little more than a word to phenomenologically describe the fact that a reaction follows a pat1 that leads to products of an unexpected kind or of unexpected yield. Low activation energy barriers for intermediates are recognized as the most likely cause why a system deviates from the thermodynamic pull towards minimizing its free energy and ends up in a metastable state. Seldom is the mechanism known. This i: particularly true for heterogeneous catalysis under hydrothermal conditions with minerals as catalysts. It is commonly assumed that catalytic action takes place across solid-fluid interfaces and that, on the atomic level, interfaces are just 2-dimensional contacts. This makes it difficult to understand, for instance, the assembly of long-chain carboxylic (fatty) acids. 3y studying single crystals that grew from a melt in the presence of H2O and CO2, we can show: (1) that numerals take up the fluid components into solid solution, (2) that some-thing happens converting them to -educedH and C, (3) that C atoms segregate into dislocations and tie C-C bonds. The products are medium-to-long chain Cn protomolecules, with some C-H attached, pre-assembled in the dislocations. Upon solvent extraction, these proto-molecules turn into carboxylic and dicarboxylic acids. This observation suggests that, in a very elementary step, catalysis under hydrothermal conditions leading to fatty acids involves the pre-assembly of Cn entities in the interface that is not 2-D but extends into the 3rd dimension, with dislocations as synthesis sites.

  14. High-Resolution Spectroscopic Studies of Complexes Formed by Medium-Size Organic Molecules.

    PubMed

    Becucci, Maurizio; Melandri, Sonia

    2016-05-11

    A wealth of structural and dynamical information has been obtained in the last 30 years from the study of high-resolution spectra of molecular clusters generated in a cold supersonic expansion by means of highly resolved spectroscopic methods. The data obtained, generally lead to determination of the structures of stable conformations. In addition, in the case of weakly bound molecular complexes, it is usual to observe the effects of internal motions due to the shallowness of the potential energy surfaces involved and the flexibility of the systems. In the case of electronic excitation experiments, also the effect of electronic distribution changes on both equilibrium structures and internal motions becomes accessible. The structural and dynamical information that can be obtained by applying suitable theoretical models to the analysis of these unusually complex spectra allows the determination and understanding of the driving forces involved in formation of the molecular complex. In this way, many types of non-covalent interactions have been characterized, from pure van der Waals interactions in complexes of rare gases to moderate-strength and weak hydrogen bonds and to the most recent halogen bonds and n-π interactions. The aim of this review is to underline how the different experimental and theoretical methods converge in giving a detailed picture of weak interactions in small molecular adducts involving medium-size molecules. The conclusions regarding geometries and energies can contribute to understanding of the different driving forces involved in the dynamics of the processes and can be exploited in all fields of chemistry and biochemistry, from design of new materials with novel properties to rational design of drugs. PMID:26986455

  15. Incompletely compacted equilibrated ordinary chondrites

    SciTech Connect

    Sasso, M.R.; Macke, R.J.; Boesenberg, J.S.; Britt, D.T.; Rovers, M.L.; Ebel, D.S.; Friedrich, J.M.

    2010-01-22

    We document the size distributions and locations of voids present within five highly porous equilibrated ordinary chondrites using high-resolution synchrotron X-ray microtomography ({mu}CT) and helium pycnometry. We found total porosities ranging from {approx}10 to 20% within these chondrites, and with {mu}CT we show that up to 64% of the void space is located within intergranular voids within the rock. Given the low (S1-S2) shock stages of the samples and the large voids between mineral grains, we conclude that these samples experienced unusually low amounts of compaction and shock loading throughout their entire post accretionary history. With Fe metal and FeS metal abundances and grain size distributions, we show that these chondrites formed naturally with greater than average porosities prior to parent body metamorphism. These materials were not 'fluffed' on their parent body by impact-related regolith gardening or events caused by seismic vibrations. Samples of all three chemical types of ordinary chondrites (LL, L, H) are represented in this study and we conclude that incomplete compaction is common within the asteroid belt.

  16. Estimation of incomplete multinomial data

    NASA Technical Reports Server (NTRS)

    Credeur, K. R.

    1980-01-01

    Program estimates cell probabilities for data observed to fall in one of two or more categories when exact category cannot be determined. Data are assumed to be randomly incomplete. Estimation minimizes risk of quadratic loss. Program should be useful in projects where multinomial data is analyzed, but where observations are sometimes incomplete. Program is in FORTRAN IV and Assembler for batch execution on CYBER 173.

  17. A Survey of Large Molecules of Biological Interest toward Selected High Mass Star Forming Regions

    NASA Technical Reports Server (NTRS)

    Remijan, A.; Shiao, Y.-S.; Friedel, D. N.; Meier, D. S.; Snyder, L. E.

    2004-01-01

    We have surveyed three high mass Galactic star forming regions for interstellar methanol (CH3OH), formic acid (HCOOH), acetic acid (CH3COOH), methyl formate (HCOOCH3), methyl cyanide (CH3CN), and ethyl cyanide (CH3CH2CN) with the BIMA Array. From our observations, we have detected two new sources of interstellar HCOOH toward the hot core regions G19.61-0.23 and W75N. We have also made the first detections of CH3CH2CN and HCOOCH3 toward G19.61-0.23. The relative HCOOH/HCOOCH3 abundance ratio toward G19.61-0.23 is 0.18 which is comparable to the abundance ratios found by Liu and colleagues toward Sgr B2(N-LMH), Orion and W51(approximately 0.10). We have made the first detection of HCOOCH3 toward W75N. The relative HCOOH/HCOOCH3 abundance ratio toward W75N is 0.26 which is more than twice as large as the abundance ratios found by Liu and colleagues. Furthermore, the hot core regions around W75N show a chemical differentiation between the O and N cores similar to what is seen toward the Orion Hot Core and Compact Ridge and W3(OH) and W3(H2O). It is also apparent from our observations that the high mass star forming region G45.47+0.05 does not contain any compact hot molecular core and as a consequence its chemistry may be similar to cold dark clouds. Finally, the formation of CH3COOH appears to favor HMCs with well mixed N and O, despite the fact that CH3COOH does not contain a N atom. If proved to be true, this is an important constraint on CH3COOH formation and possibly other structurally similar biomolecules.

  18. A Global View of Molecule-forming Clouds in the Galaxy

    NASA Astrophysics Data System (ADS)

    Gibson, Steven J.; Bell, Aaron Christopher; Newton, Jonathan H.; Howard, Ward; Jolly, Christian; Spraggs, Mary; Hughes, James

    2015-08-01

    The gas in galactic disks occurs in a wide range of temperatures and densities, most of which are unsuitable for star formation. Somehow, diffuse atomic clouds are collected into colder, denser molecular clouds that can collapse under their own gravity. The molecular condensation process is not directly observable, but it most likely arises in cold, quiescent pockets of atomic hydrogen (HI) gas, which over time will form molecular hydrogen (H2) followed by more observable molecular species. We have mapped cold 21cm line HI self-absorption (HISA) over more than 90% of the Milky Way's disk at arcminute resolution with the International Galactic Plane Survey. To probe the formation of H2 clouds, we have made a detailed comparison of the IGPS HISA distribution with available 12CO J=1-0 line emission surveys. We find that few HISA features in the outer Galaxy have CO at the same position and velocity, while most inner-Galaxy HISA does have overlapping CO. But chance superpositions of unrelated HISA and CO at different distances are much more likely in the inner Galaxy, and if these are accounted for, the majority of inner-Galaxy HISA may also be CO-free. Standard equilibrium cloud models cannot explain very cold HI in many HISA features without molecular shielding, so these clouds may instead have significant CO-dark H2 to keep them cool. A significant number of these clouds are found downstream of spiral shocks where H2 formation might be expected, with CO formation taking somewhat longer. Support for this work was provided by the U.S. National Science Foundation, NASA, Western Kentucky University, and the Gatton Academy.

  19. Advanced incomplete factorization algorithms for Stiltijes matrices

    SciTech Connect

    Il`in, V.P.

    1996-12-31

    The modern numerical methods for solving the linear algebraic systems Au = f with high order sparse matrices A, which arise in grid approximations of multidimensional boundary value problems, are based mainly on accelerated iterative processes with easily invertible preconditioning matrices presented in the form of approximate (incomplete) factorization of the original matrix A. We consider some recent algorithmic approaches, theoretical foundations, experimental data and open questions for incomplete factorization of Stiltijes matrices which are {open_quotes}the best{close_quotes} ones in the sense that they have the most advanced results. Special attention is given to solving the elliptic differential equations with strongly variable coefficients, singular perturbated diffusion-convection and parabolic equations.

  20. Single molecule imaging of green fluorescent proteins in living cells: E-cadherin forms oligomers on the free cell surface.

    PubMed Central

    Iino, R; Koyama, I; Kusumi, A

    2001-01-01

    Single green fluorescent protein (GFP) molecules were successfully imaged for the first time in living cells. GFP linked to the cytoplasmic carboxyl terminus of E-cadherin (E-cad-GFP) was expressed in mouse fibroblast L cells, and observed using an objective-type total internal reflection fluorescence microscope. Based on the fluorescence intensity of individual fluorescent spots, the majority of E-cad-GFP molecules on the free cell surface were found to be oligomers of various sizes, many of them greater than dimers, suggesting that oligomerization of E-cadherin takes place before its assembly at cell-cell adhesion sites. The translational diffusion coefficient of E-cad-GFP is reduced by a factor of 10 to 40 upon oligomerization. Because such large decreases in translational mobility cannot be explained solely by increases in radius upon oligomerization, an oligomerization-induced trapping model is proposed in which, when oligomers are formed, they are trapped in place due to greatly enhanced tethering and corralling effects of the membrane skeleton on oligomers (compared with monomers). The presence of many oligomers greater than dimers on the free surface suggests that these greater oligomers are the basic building blocks for the two-dimensional cell adhesion structures (adherens junctions). PMID:11371443

  1. M-Plasty for Correction of Incomplete Penoscrotal Transposition

    PubMed Central

    Manjunath, KN; Venkatesh, MS

    2014-01-01

    Penoscrotal transposition (PST) is a rare anomaly of the external genitalia that can be complete or incomplete while incomplete type is more common. Various surgical methods are described for correction of incomplete PST. Modified Glenn Anderson’s method is commonly used. This method is known to cause major penile lymphoedema following surgery. Various modifications have been described to preserve the dorsal penile skin to reduce this lymphoedema. We present here our experience with M-Plasty, where the dorsal penile skin is cut in the form of V so that it breaks the constricting effect of circumferential incision and prevents lymphoedema. PMID:25489538

  2. Matriculation Research Report: Incomplete Grades; Data & Analysis.

    ERIC Educational Resources Information Center

    Gerda, Joe

    The policy on incomplete grades at California's College of the Canyons states that incompletes may only be given under circumstances beyond students' control and that students must make arrangements with faculty prior to the end of the semester to clear the incomplete. Failure to complete an incomplete may result in an "F" grade. While incompletes…

  3. Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide

    PubMed Central

    Zhu, Maximillian; Simone, Alfonso De; Schenk, Dale; Toth, Gergely; Dobson, Christopher M.; Vendruscolo, Michele

    2016-01-01

    The aggregation of intrinsically disordered peptides and proteins is associated with a wide range of highly debilitating neurological and systemic disorders. In this work we explored the potential of a structure-based drug discovery procedure to target one such system, the soluble monomeric form of the Aβ42 peptide. We utilised for this purpose a set of structures of the Aβ42 peptide selected from clusters of conformations within an ensemble generated by molecular dynamics simulations. Using these structures we carried out fragment mapping calculations to identify binding ‘hot spots’ on the monomeric form of the Aβ42 peptide. This procedure provided a set of hot spots with ligand efficiencies comparable to those observed for structured proteins, and that are clustered into binding pockets. We verified that such pockets exhibit a propensity to bind small molecules known to interact with the Aβ42 peptide. Taken together these results provide an initial indication that fragment-based drug discovery may represent a potential therapeutic strategy for diseases associated with the aggregation of intrinsically disordered proteins. PMID:23883055

  4. Sequential Closure of Loop Structures Forms the Folding Nucleus during the Refolding Transition of the Escherichia coli Adenylate Kinase Molecule.

    PubMed

    Orevi, Tomer; Rahamim, Gil; Amir, Dan; Kathuria, Sagar; Bilsel, Osman; Matthews, C Robert; Haas, Elisha

    2016-01-12

    The ensemble of conformers of globular protein molecules immediately following transfer from unfolding to folding conditions is assumed to be collapsed though still disordered, as the first steps of the folding pathway are initiated. In order to test the hypothesis that long loop closure transitions are part of the initiation of the folding pathway, our groups are studying the initiation of the folding transition of a model protein by time-resolved excitation energy transfer (trFRET) detected fast kinetics experiments. Site-specific double labeling is used to study the timing of conformational transitions of individual loop forming chain segments at the microsecond time regime. Previously, it was shown that at least three long loops in the Escherichia coli adenylate kinase (AK) molecule close within the first 5 ms of folding of AK, while the main global folding transition occurs in a time regime of seconds. In order to enhance the time resolution of the kinetics experiments to the microsecond time regime and determine the rate of closure of the two N terminal loops (loop I residues 1-26 and loop II residues 29-72), we applied a continuous flow based double kinetics experiment. These measurements enabled us to obtain a microsecond series of transient time dependent distributions of distances between the ends of the labeled loops. Analysis of the trFRET experiments show that the N terminal loop (loop I) is closed within less than 60 μs after the initiation of refolding. Loop II is also mostly closed within that time step but shows an additional small reduction of the mean end-to-end distance in a second phase at a rate of 0.005 μs(-1). This second phase can either reflect tightening of a loosely closed loop in the ensemble of conformers or may reflect two subpopulations in the ensemble, which differ in the rate of closure of loop II, but not in the rate of closure of loop I. This study shows the very fast closure of long loops in the otherwise disordered backbone

  5. Endothelial cells proactively form microvilli-like membrane projections upon intercellular adhesion molecule 1 engagement of leukocyte LFA-1.

    PubMed

    Carman, Christopher V; Jun, Chang-Duk; Salas, Azucena; Springer, Timothy A

    2003-12-01

    Specific leukocyte/endothelial interactions are critical for immunity and inflammation, yet the molecular details of this interaction interface remain poorly understood. Thus, we investigated, with confocal microscopy, the distribution dynamics of the central adhesion molecules ICAM-1 and LFA-1 in this context. Monolayers of activated HUVECs stained with fluorescent anti-ICAM-1 Fabs or Chinese hamster ovary-K1 cells expressing ICAM-1-green fluorescent protein were allowed to bind LFA-1-bearing monocytes, neutrophils, or K562 LFA-1 transfectants. ICAM-1 was rapidly relocalized to newly formed microvilli-like membrane projections in response to binding LFA-1 on leukocytes. These ICAM-1-enriched projections encircled the leukocytes extending up their sides and clustered LFA-1 underneath into linear tracks. Projections formed independently of VCAM-1/very late Ag 4 interactions, shear, and proactive contributions from the LFA-1-bearing cells. In the ICAM-1-bearing endothelial cells, projections were enriched in actin but not microtubules, required intracellular calcium, and intact microfilament and microtubule cytoskeletons and were independent of Rho/Rho kinase signaling. Disruption of these projections with cytochalasin D, colchicine, or BAPTA-AM had no affect on firm adhesion. These data show that in response to LFA-1 engagement the endothelium proactively forms an ICAM-1-enriched cup-like structure that surrounds adherent leukocytes but is not important for firm adhesion. This finding leaves open a possible role in leukocyte transendothelial migration, which would be consistent with the geometry and kinetics of formation of the cup-like structure. PMID:14634129

  6. White polymer light-emitting electrochemical cells using emission from exciplexes with long intermolecular distances formed between polyfluorene and π-conjugated amine molecules

    NASA Astrophysics Data System (ADS)

    Nishikitani, Y.; Takeuchi, H.; Nishide, H.; Uchida, S.; Yazaki, S.; Nishimura, S.

    2015-12-01

    The authors present white polymer light-emitting electrochemical cells (PLECs) fabricated with polymer blend films of poly(9,9-di-n-dodecylfluorenyl-2,7-diyl) (PFD) and π-conjugated triphenylamine molecules. The PLECs have bulk heterojunction structures composed of van der Waals interfaces between the PFD segments and the amine molecules. White-light electroluminescence (EL) can be achieved via light-mixing of the blue exciton emission from PFD and long-wavelength exciplex emission from excited complexes consisting of PFD segments (acceptors (As)) and the amine molecules (donors (Ds)). Precise control of the distances between the PFD and the amine molecules, affected through proper choice of the concentrations of PFD, amine molecules, and polymeric solid electrolytes, is critical to realizing white emission. White PLECs can be fabricated with PFD and amine molecules whose highest occupied molecular orbital (HOMO) levels range from -5.3 eV to -5.0 eV. Meanwhile, PLECs fabricated with amine molecules whose HOMO levels are lower than -5.6 eV cannot produce exciplex emission. The distances between the PFD and amine molecules of the exciplexes appear to be larger than 0.4 nm. These experimental data are explained by perturbation theory using the charge-transfer state ( A - D + ), the locally excited state ( A * D ), which is assumed to be the locally excited acceptor state in which there is no interaction with the donor molecule; and the energy gap between the HOMO levels of the PFD and the amine molecules. Color-stable white PLECs were fabricated using 4,4',4″-tris[N-(2-naphthyl)-N-phenylamino]-triphenylamine, which has a HOMO level of -5.2 eV, as the amine molecule, and the color stability of the device is a function of the fact that PFD forms exciplexes with these molecules.

  7. Incomplete Kochen-Specker coloring

    SciTech Connect

    Granstroem, Helena

    2007-09-15

    A particular incomplete Kochen-Specker coloring, suggested by Appleby [Stud. Hist. Philos. Mod. Phys. 36, 1 (2005)] in dimension three, is generalized to arbitrary dimension. We investigate its effectivity as a function of dimension, using two different measures. A limit is derived for the fraction of the sphere that can be colored using the generalized Appleby construction as the number of dimensions approaches infinity. The second, and physically more relevant measure of effectivity, is to look at the fraction of properly colored ON bases. Using this measure, we derive a ''lower bound for the upper bound'' in three and four real dimensions.

  8. Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules

    SciTech Connect

    Chakraborty, Kaushik; Bandyopadhyay, Sanjoy

    2015-07-28

    Single-stranded DNA (ss-DNA) binding proteins specifically bind to the single-stranded regions of the DNA and protect it from premature annealing, thereby stabilizing the DNA structure. We have carried out atomistic molecular dynamics simulations of the aqueous solutions of two DNA binding K homology (KH) domains (KH3 and KH4) of the far upstream element binding protein complexed with two short ss-DNA segments. Attempts have been made to explore the influence of the formation of such complex structures on the microscopic dynamics and hydrogen bond properties of the interfacial water molecules. It is found that the water molecules involved in bridging the ss-DNA segments and the protein domains form a highly constrained thin layer with extremely retarded mobility. These water molecules play important roles in freezing the conformational oscillations of the ss-DNA oligomers and thereby forming rigid complex structures. Further, it is demonstrated that the effect of complexation on the slow long-time relaxations of hydrogen bonds at the interface is correlated with hindered motions of the surrounding water molecules. Importantly, it is observed that the highly restricted motions of the water molecules bridging the protein and the DNA components in the complexed forms originate from more frequent hydrogen bond reformations.

  9. Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules

    NASA Astrophysics Data System (ADS)

    Chakraborty, Kaushik; Bandyopadhyay, Sanjoy

    2015-07-01

    Single-stranded DNA (ss-DNA) binding proteins specifically bind to the single-stranded regions of the DNA and protect it from premature annealing, thereby stabilizing the DNA structure. We have carried out atomistic molecular dynamics simulations of the aqueous solutions of two DNA binding K homology (KH) domains (KH3 and KH4) of the far upstream element binding protein complexed with two short ss-DNA segments. Attempts have been made to explore the influence of the formation of such complex structures on the microscopic dynamics and hydrogen bond properties of the interfacial water molecules. It is found that the water molecules involved in bridging the ss-DNA segments and the protein domains form a highly constrained thin layer with extremely retarded mobility. These water molecules play important roles in freezing the conformational oscillations of the ss-DNA oligomers and thereby forming rigid complex structures. Further, it is demonstrated that the effect of complexation on the slow long-time relaxations of hydrogen bonds at the interface is correlated with hindered motions of the surrounding water molecules. Importantly, it is observed that the highly restricted motions of the water molecules bridging the protein and the DNA components in the complexed forms originate from more frequent hydrogen bond reformations.

  10. Incomplete flagellar structures in Escherichia coli mutants.

    PubMed Central

    Suzuki, T; Komeda, Y

    1981-01-01

    Escherichia coli mutants with defects in 29 flagellar genes identified so far were examined by electron microscopy for possession of incomplete flagellar structures in membrane-associated fractions. The results are discussed in consideration of the known transcriptional interaction of flagellar genes. Hook-basal body structures were detected in flaD, flaS, flaT, flbC, and hag mutants. The flaE mutant had a polyhook-basal body structure. An intact basal body appeared in flaK mutants. Putative precursors of the basal body were detected in mutants with defects in flaM, flaU, flaV, and flaY. No structures homologous to the flagellar basal body or its parts were detected in mutants with defects in flaA, flaB, flaC, flaG, flaH, flaI, flaL, flaN, flaO, flaP, flaQ, flaR, flaW, flaX, flbA, flbB, and flbD. One flaZ mutant had an incomplete flagellar basal body structure and another formed no significant structure, suggesting that flaZ is responsible for both basal body assembly and the transcription of the hag gene. Images PMID:7007337

  11. Intermolecular Hydrogen Bonds Formed Between Amino Acid Molecules in Aqueous Solution Investigated by Temperature-jump Nanosecond Time-resolved Transient Mid-IR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ye, Man-ping; Li, Heng; Zhang, Qing-li; Weng, Yu-xiang; Qiu, Xiang-gang

    2007-08-01

    Carboxyl (COO-) vibrational modes of two amino acids histidine and glycine in D2O solution were investigated by temperature-dependent FTIR spectroscopy and temperature-jump nanosecond time-resolved IR difference absorbance spectroscopy. The results show that hydrogen bonds are formed between amino acid molecules as well as between the amino acid molecule and the solvent molecules. The asymmetric vibrational frequency of COO- around 1600-1610 cm-1 is blue shifted when raising temperature, indicating that the strength of the hydrogen bonds becomes weaker at higher temperature. Two bleaching peaks at 1604 and 1612 cm-1 were observed for histidine in response to a temperature jump from 10 °C to 20 °C. The lower vibrational frequency at 1604 cm-1 is assigned to the chain COO- group which forms the intermolecular hydrogen bond with NH3+ group, while the higher frequency at 1612 cm-1 is assigned to the end COO- group forming hydrogen bonds with the solvent molecules. This is because that the hydrogen bonds in the former are expected to be stronger than the latter. In addition the intensities of these two bleaching peaks are almost the same. In contrast, only the lower frequency at 1604 cm-1 bleaching peak has been observed for glycine. The fact indicates that histidine molecules form a dimer-like intermolecular chain while glycine forms a relatively longer chain in the solution. The rising phase of the IR absorption kinetics in response to the temperature-jump detected at 1604 cm-1 for histidine is about 30+/-10 ns, within the resolution limit of our instrument, indicating that breaking or weakening the hydrogen bond is a very fast process.

  12. Tutoring with Incomplete and Uncertain Knowledge. CITE Report No. 38.

    ERIC Educational Resources Information Center

    Baker, Michael

    The design of an Intelligent Tutoring System (ITS) in a knowledge domain where expertise is modeled as a set of uncertain and incomplete beliefs that are justifiable and expressible in the form of a critical argument is outlined. Issues concerning knowledge communication in a tutorial interaction are discussed with reference to a cognitive model…

  13. Quantum Stackelberg duopoly with incomplete information [rapid communication

    NASA Astrophysics Data System (ADS)

    Lo, C.-F.; Kiang, D.

    2005-10-01

    We investigate the quantum version of the Stackelberg duopoly with incomplete information, especially how the quantum entanglement affects the first-mover advantage in the classical form. It is found that while positive entanglement enhances the first-mover advantage beyond the classical limit, the advantage is dramatically suppressed by negative entanglement. Moreover, despite that positive quantum entanglement improves the first-mover's tolerance for the informational incompleteness, the quantum effect does not change the basic fact that Firm A's lack of complete information of Firm B's unit cost is eradicating the first-mover advantage.

  14. Adsorption of nitrogen oxide molecules to the surface of nanosized nickel clusters formed on the (111) surface of a magnesium oxide film

    NASA Astrophysics Data System (ADS)

    Remar, D. F.; Turiev, A. M.; Tsidaeva, N. I.; Magkoev, T. T.

    2010-10-01

    The properties of the systems formed on deposition of Ni atoms on the (111) surface of a MgO film of thickness equal to six monomolecular layers grown on a Mo(110) crystal face and the adsorption of NO nitrogen oxide molecules to the system surface have been studied by methods of electron spectroscopy (AES, XPES, LEED, LEIBSS) and reflective infrared absorption spectroscopy. On deposition of Ni atoms on the surface of MgO at a substrate temperature of 600 K, three-dimensional islands of Ni are formed. The subsequent adsorption of NO results in molecule dissociation even at 110 K. The efficiency of this process depends on the morphology of the Ni layer.

  15. Interaction of epitaxial silicene with overlayers formed by exposure to Al atoms and O{sub 2} molecules

    SciTech Connect

    Friedlein, R.; Yamada-Takamura, Y.; Van Bui, H.; Wiggers, F. B.; Kovalgin, A. Y.; Jong, M. P. de

    2014-05-28

    As silicene is not chemically inert, the study and exploitation of its electronic properties outside of ultrahigh vacuum environments require the use of insulating capping layers. In order to understand if aluminum oxide might be a suitable encapsulation material, we used high-resolution synchrotron photoelectron spectroscopy to study the interactions of Al atoms and O{sub 2} molecules, as well as the combination of both, with epitaxial silicene on thin ZrB{sub 2}(0001) films grown on Si(111). The deposition of Al atoms onto silicene, up to the coverage of about 0.4 Al per Si atoms, has little effect on the chemical state of the Si atoms. The silicene-terminated surface is also hardly affected by exposure to O{sub 2} gas, up to a dose of 4500 L. In contrast, when Al-covered silicene is exposed to the same dose, a large fraction of the Si atoms becomes oxidized. This is attributed to dissociative chemisorption of O{sub 2} molecules by Al atoms at the surface, producing reactive atomic oxygen species that cause the oxidation. It is concluded that aluminum oxide overlayers prepared in this fashion are not suitable for encapsulation since they do not prevent but actually enhance the degradation of silicene.

  16. 32 CFR 651.44 - Incomplete information.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 4 2010-07-01 2010-07-01 true Incomplete information. 651.44 Section 651.44 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) ENVIRONMENTAL QUALITY ENVIRONMENTAL ANALYSIS OF ARMY ACTIONS (AR 200-2) Environmental Impact Statement § 651.44 Incomplete...

  17. 32 CFR 651.44 - Incomplete information.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 4 2011-07-01 2011-07-01 false Incomplete information. 651.44 Section 651.44 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) ENVIRONMENTAL QUALITY ENVIRONMENTAL ANALYSIS OF ARMY ACTIONS (AR 200-2) Environmental Impact Statement § 651.44 Incomplete information. When the proposed action...

  18. Two-State or Non-Two-State? An Excess Spectroscopy-based Approach to Differentiate the Existing Forms of Molecules in Liquids Mixtures

    PubMed Central

    Zhou, Yu; Zheng, Yan-Zhen; Sun, Hai-Yuan; Deng, Geng; Yu, Zhi-Wu

    2015-01-01

    Characterization/identification of the clusters/associates in liquids has long been a challenging topic. In this paper, we report a method to identify molecules with two different existing forms in a binary liquid solution. In this so-called two-state situation, the excess infrared spectra of a vibration mode of the respective molecule will show identical band shape if the other component is transparent in the region. More conveniently, the positions of the positive peak, negative peak, and zero-value will be seen to be fixed with varying compositions of the binary system. In the case of non-two-state mixtures, for example the mere solvation of solute by solvent, those positions will be variable. The conclusions are supported/demonstrated by computational simulation and experiments on two binary systems, D2O−H2O and C6F5I−cyclo-C6H12. PMID:26542641

  19. High levels of the soluble form of CD30 molecule in rheumatoid arthritis (RA) are expression of CD30+ T cell involvement in the inflamed joints.

    PubMed

    Gerli, R; Muscat, C; Bistoni, O; Falini, B; Tomassini, C; Agea, E; Tognellini, R; Biagini, P; Bertotto, A

    1995-12-01

    The CD30 is a surface molecule expressed by Th2-type lymphokine-producing T cells upon activation. CD30-expressing activated T cells release a soluble form of the molecule, which can be detectable both in vitro and in vivo. In the present study, high levels of soluble CD30 were found in peripheral blood and synovial fluid from patients with RA. However, CD30+ CD3+ cells, either CD4+ or CD8+, were significantly present in synovial fluid, but not in peripheral blood, of RA patients. Serum values of soluble CD30 were higher in active than inactive RA patients and directly correlated with rheumatoid factor serum titres. These data strongly support an involvement of CD30+ T cells in the immune processes of rheumatoid synovitis, and may suggest a relationship between Th2-type cytokine-secreting T cells and the pathological response in RA. PMID:8536371

  20. Soluble Forms of Intercellular and Vascular Cell Adhesion Molecules Independently Predict Progression to Type 2 Diabetes in Mexican American Families

    PubMed Central

    Kulkarni, Hemant; Mamtani, Manju; Peralta, Juan; Almeida, Marcio; Dyer, Thomas D.; Goring, Harald H.; Johnson, Matthew P.; Duggirala, Ravindranath; Mahaney, Michael C.; Olvera, Rene L.; Almasy, Laura; Glahn, David C.; Williams-Blangero, Sarah; Curran, Joanne E.; Blangero, John

    2016-01-01

    Objective While the role of type 2 diabetes (T2D) in inducing endothelial dysfunction is fairly well-established the etiological role of endothelial dysfunction in the onset of T2D is still a matter of debate. In the light of conflicting evidence in this regard, we conducted a prospective study to determine the association of circulating levels of soluble intercellular adhesion molecule 1 (sICAM-1) and soluble vessel cell adhesion molecule 1 (sVCAM-1) with incident T2D. Methods Data from this study came from 1,269 Mexican Americans of whom 821 initially T2D-free individuals were longitudinally followed up in the San Antonio Family Heart Study. These individuals were followed for 9752.95 person-years for development of T2D. Prospective association of sICAM-1 and sVCAM-1 with incident T2D was studied using Kaplan-Meier survival plots and mixed effects Cox proportional hazards modeling to account for relatedness among study participants. Incremental value of adhesion molecule biomarkers was studied using integrated discrimination improvement (IDI) and net reclassification improvement (NRI) indexes. Results Decreasing median values for serum concentrations of sICAM-1 and sVCAM-1 were observed in the following groups in this order: individuals with T2D at baseline, individuals who developed T2D during follow-up, individuals with prediabetes at baseline and normal glucose tolerant (NGT) individuals who remained T2D-free during follow-up. Top quartiles for sICAM-1 and sVCAM-1 were strongly and significantly associated with homeostatic model of assessment—insulin resistance (HOMA-IR). Mixed effects Cox proportional hazards modeling revealed that after correcting for important clinical confounders, high sICAM-1 and sVCAM-1 concentrations were associated with 2.52 and 1.99 times faster progression to T2D as compared to low concentrations, respectively. Individuals with high concentrations for both sICAM-1 and sVCAM-1 progressed to T2D 3.42 times faster than those with low

  1. Failsafe modes in incomplete minority game

    NASA Astrophysics Data System (ADS)

    Yao, Xiaobo; Wan, Shaolong; Chen, Wen

    2009-09-01

    We make a failsafe extension to the incomplete minority game model, give a brief analysis on how incompleteness will effect system efficiency. Simulations that limited incompleteness in strategies can improve the system efficiency. Among three failsafe modes, the “Back-to-Best” mode brings most significant improvement and keeps the system efficiency in a long range of incompleteness. A simple analytic formula has a trend which matches simulation results. The IMMG model is used to study the effect of distribution, and we find that there is one junction point in each series of curves, at which system efficiency is not influenced by the distribution of incompleteness. When pIbar > the concentration of incompleteness weakens the effect. On the other side of , concentration will be helpful. When pI is close to zero agents using incomplete strategies have on average better profits than those using standard strategies, and the “Back-to-Best” agents have a wider range of pI to win.

  2. Single-Molecule Analysis of Thymine Dimer-Containing G-Quadruplexes Formed from the Human Telomere Sequence

    PubMed Central

    2015-01-01

    The human telomere plays crucial roles in maintaining genome stability. In the presence of suitable cations, the repetitive 5′-TTAGGG-3′ human telomere sequence can fold into G-quadruplexes that adopt the hybrid, basket, or propeller fold. The telomere sequence is hypersensitive to UV-induced thymine dimer (T=T) formation, yet it does not cause telomere shortening. In this work, the potential structural disruption and thermodynamic stability of the T=T-containing natural telomere sequences were studied to understand why this damage is tolerated in telomeres. First, established methods, such as thermal melting measurements, electrophoretic mobility shift assays, and circular dichroism spectroscopy, were utilized to determine the effects of the damage on these structures. Second, a single-molecule ion channel recording technique using α-hemolysin (α-HL) was employed to examine further the structural differences between the damaged sequences. It was observed that the damage caused slightly lower thermal stabilities and subtle changes in the circular dichroism spectra for hybrid and basket folds. The α-HL experiments determined that T=Ts disrupt double-chain reversal loop formation but are tolerated in edgewise and diagonal loops. The largest change was observed for the T=T-containing natural telomere sequence when the propeller fold (all double-chain reversal loops) was studied. On the basis of the α-HL experiments, it was determined that a triplexlike structure exists under conditions that favor a propeller structure. The biological significance of these observations is discussed. PMID:25407781

  3. Nonallelic heterogeneity in autosomal dominant retinitis pigmentosa with incomplete penetrance

    SciTech Connect

    Kim, S.K.; Berson, E.L.; Dryja, T.P.

    1994-08-01

    Retinitis pigmentosa is a group of retinal diseases in which photoreceptor cells throughout the retina degenerate. Although there is considerable genetic heterogeneity (autosomal dominant, autosomal recessive, and X-linked forms exist), there is a possibility that some clinically defined subtypes of the disease may be the result of mutations at the same locus. One possible clinically defined subtype is that of autosomal dominant retinitis pigmentosa (ADRP) with incomplete penetrance. Whereas in most families with ADRP, carriers can be clearly identified because of visual loss, ophthalmological findings, or abnormal electroretinograms (ERGs), in occasional families some obligate carriers are asymptomatic and have normal or nearly normal ERGs even late in life. A recent paper reported the mapping of the diseases locus in one pedigree (designated adRP7) with ADRP with incomplete penetrance to chromosome 7p. To test the idea that ADRP with incomplete penetrance may be genetically homogeneous, we have evaluated whether a different family with incomplete penetrance also has a disease gene linked to the same region. 4 refs., 1 fig., 1 tab.

  4. An Uncertainty Measure for Incomplete Decision Tables and Its Applications.

    PubMed

    Dai, Jianhua; Wang, Wentao; Xu, Qing

    2013-08-01

    Uncertainty measures can supply new viewpoints for analyzing data. They can help us in disclosing the substantive characteristics of data. The uncertainty measurement issue is also a key topic in the rough-set theory. Although there are some measures to evaluate the uncertainty for complete decision systems (also called decision tables), they cannot be trivially transplanted into incomplete decision systems. There are relatively few studies on uncertainty measurement in incomplete decision systems. In this paper, we propose a new form of conditional entropy, which can be used to measure the uncertainty in incomplete decision systems. Some important properties of the conditional entropy are obtained. In particular, two validity theorems guarantee that the proposed conditional entropy can be used as a reasonable uncertainty measure for incomplete decision systems. Experiments on some real-life data sets are conducted to test and verify the validity of the proposed measure. Applications of the proposed uncertainty measure in ranking attributes and feature selection are also studied with experiments. PMID:26502436

  5. Quantum Bertrand duopoly of incomplete information

    NASA Astrophysics Data System (ADS)

    Qin, Gan; Chen, Xi; Sun, Min; Du, Jiangfeng

    2005-05-01

    We study Bertrand's duopoly of incomplete information. It is found that the effect of quantum entanglement on the outcome of the game is dramatically changed by the uncertainty of information. In contrast with the case of complete information where the outcome increases with entanglement, when information is incomplete the outcome is maximized at some finite entanglement. As a consequence, information and entanglement are both crucial factors that determine the properties of a quantum oligopoly.

  6. Multi-View Learning With Incomplete Views.

    PubMed

    Xu, Chang; Tao, Dacheng; Xu, Chao

    2015-12-01

    One underlying assumption of the conventional multi-view learning algorithms is that all examples can be successfully observed on all the views. However, due to various failures or faults in collecting and pre-processing the data on different views, we are more likely to be faced with an incomplete-view setting, where an example could be missing its representation on one view (i.e., missing view) or could be only partially observed on that view (i.e., missing variables). Low-rank assumption used to be effective for recovering the random missing variables of features, but it is disabled by concentrated missing variables and has no effect on missing views. This paper suggests that the key to handling the incomplete-view problem is to exploit the connections between multiple views, enabling the incomplete views to be restored with the help of the complete views. We propose an effective algorithm to accomplish multi-view learning with incomplete views by assuming that different views are generated from a shared subspace. To handle the large-scale problem and obtain fast convergence, we investigate a successive over-relaxation method to solve the objective function. Convergence of the optimization technique is theoretically analyzed. The experimental results on toy data and real-world data sets suggest that studying the incomplete-view problem in multi-view learning is significant and that the proposed algorithm can effectively handle the incomplete views in different applications. PMID:26469202

  7. Carbon-carbon bond-forming reactions of α-thioaryl carbonyl compounds for the synthesis of complex heterocyclic molecules.

    PubMed

    Biggs-Houck, James E; Davis, Rebecca L; Wei, Jingqiang; Mercado, Brandon Q; Olmstead, Marilyn M; Tantillo, Dean J; Shaw, Jared T

    2012-01-01

    Strategies for the formation of carbon-carbon bonds from the α-thioaryl carbonyl products of substituted lactams are described. Although direct functionalization is possible, a two step process of oxidation and magnesium-sulfoxide exchange has proven optimal. The oxidation step results in the formation of two diastereomers that exhibit markedly different levels of stability toward elimination, which is rationalized on the basis of quantum mechanical calculations and X-ray crystallography. Treatment of the sulfoxide with i-PrMgCl results in the formation of a magnesium enolate that will undergo an intramolecular Michael addition reaction to form two new stereogenic centers. The relationship between the substitution patterns of the sulfoxide substrate and the efficiency of the magnesium exchange reaction are also described. PMID:22023077

  8. Ab Initio Characterization of the Electrostatic Complexes Formed by H2 Molecule and Cr(+), Mn(+), Cu(+), and Zn(+) Cations.

    PubMed

    Artiukhin, Denis G; Bieske, Evan J; Buchachenko, Alexei A

    2016-07-14

    Equilibrium structures, dissociation energies, and rovibrational energy levels of the electrostatic complexes formed by molecular hydrogen and first-row S-state transition metal cations Cr(+), Mn(+), Cu(+), and Zn(+) are investigated ab initio. Extensive testing of the CCSD(T)-based approaches for equilibrium structures provides an optimal scheme for the potential energy surface calculations. These surfaces are calculated in two dimensions by keeping the H-H internuclear distance fixed at its equilibrium value in the complex. Subsequent variational calculations of the rovibrational energy levels permits direct comparison with data obtained from equilibrium thermochemical and spectroscopic measurements. Overall accuracy within 2-3% is achieved. Theoretical results are used to examine trends in hydrogen activation, vibrational anharmonicity, and rotational structure along the sequence of four electrostatic complexes covering the range from a relatively floppy van der Waals system (Mn(+)···H2) to an almost a rigid molecular ion (Cu(+)···H2). PMID:26914616

  9. A comparative study of diastereomeric complexes formed by a prochiral substrate and three structurally analogous chiral molecules on Pt(111)

    NASA Astrophysics Data System (ADS)

    Lemay, Jean-Christian; Dong, Yi; Groves, Michael N.; Demers-Carpentier, Vincent; Goubert, Guillaume; Lafleur-Lambert, Raphaël; Boukouvalas, John; Hammer, Bjørk; McBreen, Peter H.

    2016-04-01

    A comparative study of chemisorbed bimolecular diastereomeric complexes formed by three structurally analogous chiral modifiers and a prochiral substrate on Pt(111) was performed using scanning tunneling microscopy (STM) and density functional theory (DFT) methods. The experiments determine, subject to a number of assumptions, the abundant binding configurations and whether the complexed substrate is organized into pro-S or pro-R states. The overall prochiral ratio (pr) estimated in this manner may be compared in each case to literature values for the enantiomeric ratio (er) observed in catalysis experiments. The experiments were performed using ketopantolactone as the substrate and (R)-1-(1-naphthyl)ethylamine, (R)-N-Methyl-1-(1-naphthyl)ethylamine and (R)-1-naphthyl-1,2-ethanediol as the structurally analogous chiral modifiers. The STM measurements were performed at room temperature to better mimic conditions under which the catalytic studies reported in the literature were performed. The results are discussed in terms of the stereochemical effects of subtle modifications of the structure of the chiral modifier.

  10. Nanoparticles that deliver triplex-forming peptide nucleic acid molecules correct F508del CFTR in airway epithelium.

    PubMed

    McNeer, Nicole Ali; Anandalingam, Kavitha; Fields, Rachel J; Caputo, Christina; Kopic, Sascha; Gupta, Anisha; Quijano, Elias; Polikoff, Lee; Kong, Yong; Bahal, Raman; Geibel, John P; Glazer, Peter M; Saltzman, W Mark; Egan, Marie E

    2015-01-01

    Cystic fibrosis (CF) is a lethal genetic disorder most commonly caused by the F508del mutation in the cystic fibrosis transmembrane conductance regulator (CFTR) gene. It is not readily amenable to gene therapy because of its systemic nature and challenges including in vivo gene delivery and transient gene expression. Here we use triplex-forming peptide nucleic acids and donor DNA in biodegradable polymer nanoparticles to correct F508del. We confirm modification with sequencing and a functional chloride efflux assay. In vitro correction of chloride efflux occurs in up to 25% of human cells. Deep-sequencing reveals negligible off-target effects in partially homologous sites. Intranasal delivery of nanoparticles in CF mice produces changes in the nasal epithelium potential difference assay, consistent with corrected CFTR function. Also, gene correction is detected in the nasal and lung tissue. This work represents facile genome engineering in vivo with oligonucleotides using a nanoparticle system to achieve clinically relevant levels of gene editing without off-target effects. PMID:25914116

  11. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  12. Toxicity of an α-pore-forming toxin depends on the assembly mechanism on the target membrane as revealed by single molecule imaging.

    PubMed

    Subburaj, Yamunadevi; Ros, Uris; Hermann, Eduard; Tong, Rudi; García-Sáez, Ana J

    2015-02-20

    α-Pore-forming toxins (α-PFTs) are ubiquitous defense tools that kill cells by opening pores in the target cell membrane. Despite their relevance in host/pathogen interactions, very little is known about the pore stoichiometry and assembly pathway leading to membrane permeabilization. Equinatoxin II (EqtII) is a model α-PFT from sea anemone that oligomerizes and forms pores in sphingomyelin-containing membranes. Here, we determined the spatiotemporal organization of EqtII in living cells by single molecule imaging. Surprisingly, we found that on the cell surface EqtII did not organize into a unique oligomeric form. Instead, it existed as a mixture of oligomeric species mostly including monomers, dimers, tetramers, and hexamers. Mathematical modeling based on our data supported a new model in which toxin clustering happened in seconds and proceeded via condensation of EqtII dimer units formed upon monomer association. Furthermore, altering the pathway of EqtII assembly strongly affected its toxic activity, which highlights the relevance of the assembly mechanism on toxicity. PMID:25525270

  13. Toxicity of an α-Pore-forming Toxin Depends on the Assembly Mechanism on the Target Membrane as Revealed by Single Molecule Imaging*

    PubMed Central

    Subburaj, Yamunadevi; Ros, Uris; Hermann, Eduard; Tong, Rudi; García-Sáez, Ana J.

    2015-01-01

    α-Pore-forming toxins (α-PFTs) are ubiquitous defense tools that kill cells by opening pores in the target cell membrane. Despite their relevance in host/pathogen interactions, very little is known about the pore stoichiometry and assembly pathway leading to membrane permeabilization. Equinatoxin II (EqtII) is a model α-PFT from sea anemone that oligomerizes and forms pores in sphingomyelin-containing membranes. Here, we determined the spatiotemporal organization of EqtII in living cells by single molecule imaging. Surprisingly, we found that on the cell surface EqtII did not organize into a unique oligomeric form. Instead, it existed as a mixture of oligomeric species mostly including monomers, dimers, tetramers, and hexamers. Mathematical modeling based on our data supported a new model in which toxin clustering happened in seconds and proceeded via condensation of EqtII dimer units formed upon monomer association. Furthermore, altering the pathway of EqtII assembly strongly affected its toxic activity, which highlights the relevance of the assembly mechanism on toxicity. PMID:25525270

  14. Incomplete fusion dynamics by spin distribution measurements

    SciTech Connect

    Singh, D.; Ali, R.; Ansari, M. Afzal; Singh, Pushpendra P.; Sharma, M. K.; Singh, B. P.; Babu, K. Surendra; Sinha, Rishi K.; Kumar, R.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2010-02-15

    Spin distributions for various evaporation residues populated via complete and incomplete fusion of {sup 16}O with {sup 124}Sn at 6.3 MeV/nucleon have been measured, using charged particles (Z=1,2)-{gamma} coincidence technique. Experimentally measured spin distributions of the residues produced as incomplete fusion products associated with 'fast'{alpha}- and 2{alpha}-emission channels observed in the 'forward cone' are found to be distinctly different from those of the residues produced as complete fusion products. Moreover, 'fast'{alpha}-particles that arise from larger angular momentum in the entrance channel are populated at relatively higher driving input angular momentum than those produced through complete fusion. The incomplete fusion residues are populated in a limited, higher-angular-momentum range, in contrast to the complete fusion products, which are populated over a broad spin range.

  15. The mobility of single-file water molecules is governed by the number of H-bonds they may form with channel-lining residues

    PubMed Central

    Horner, Andreas; Zocher, Florian; Preiner, Johannes; Ollinger, Nicole; Siligan, Christine; Akimov, Sergey A.; Pohl, Peter

    2015-01-01

    Channel geometry governs the unitary osmotic water channel permeability, pf, according to classical hydrodynamics. Yet, pf varies by several orders of magnitude for membrane channels with a constriction zone that is one water molecule in width and four to eight molecules in length. We show that both the pf of those channels and the diffusion coefficient of the single-file waters within them are determined by the number NH of residues in the channel wall that may form a hydrogen bond with the single-file waters. The logarithmic dependence of water diffusivity on NH is in line with the multiplicity of binding options at higher NH densities. We obtained high-precision pf values by (i) having measured the abundance of the reconstituted aquaporins in the vesicular membrane via fluorescence correlation spectroscopy and via high-speed atomic force microscopy, and (ii) having acquired the vesicular water efflux from scattered light intensities via our new adaptation of the Rayleigh-Gans-Debye equation. PMID:26167541

  16. CIMGS: An incomplete orthogonal factorization preconditioner

    SciTech Connect

    Wang, X.; Bramley, R.; Gallivan, K.

    1994-12-31

    This paper introduces, analyzes, and tests a preconditioning method for conjugate gradient (CG) type iterative methods. The authors start by examining incomplete Gram-Schmidt factorization (IGS) methods in order to motivate the new preconditioner. They show that the IGS family is more stable than IC, and they successfully factor any full rank matrix. Furthermore, IGS preconditioners are at least as effective in accelerating convergence of CG type iterative methods as the incomplete Cholesky (IC) preconditioner. The drawback of IGS methods are their high cost of factorization. This motivates finding a new algorithm, CIMGS, which can generate the same factor in a more efficient way.

  17. PIC (PRODUCTS OF INCOMPLETE COMBUSTION) ANALYSIS METHODS

    EPA Science Inventory

    The report gives results of method evaluations for products of incomplete combustion (PICs): 36 proposed PICs were evaluated by previously developed gas chromatography/flame ionization detection (GC/FID) and gas chromatography/mass spectroscopy (GC/MS) methods. It also gives resu...

  18. Aesthetic plastic correction of incomplete testicular feminization.

    PubMed

    Hinderer, U T

    1979-12-01

    Surgery was performed for feminization of ambiguous (male) external genitalia in 1973 on a patient with incomplete testicular feminization (familial male hermaphroditism of mixed variety). Rhinoplasty and augmentation of the chin, the malar region, the breasts were also performed not only to improve the patient's sexual role but to enhance the aesthetic appearance, as an aid in better phychosocial adaptation. PMID:24173991

  19. Numerical evaluation of the incomplete airy functions and their application to high frequency scattering and diffraction

    NASA Technical Reports Server (NTRS)

    Constantinides, E. D.; Marhefka, R. J.

    1992-01-01

    The incomplete Airy integrals serve as canonical functions for the uniform ray optical solutions to several high frequency scattering and diffraction problems that involve a class of integrals characterized by two stationary points that are arbitrarily close to one another or to an integration endpoint. Integrals of such analytical properties describe transition region phenomena associated with composite shadow boundaries. An efficient and accurate method for computing the incomplete Airy functions would make the solutions to such problems useful for engineering purposes. Here, a convergent series solution form for the incomplete Airy functions is derived. Asymptotic expansions involving several terms were also developed and serve as large argument approximations. The combination of the series solution form with the asymptotic formulae provides for an efficient and accurate computation of the incomplete Airy functions. Validation of accuracy is accomplished using direct numerical integration data.

  20. Coincidence of Incomplete Pentalogy of Cantrell and Meningomyelocele in a Dizygotic Twin Pregnancy

    PubMed Central

    Timur, Hakan; Tokmak, Aytekin; Bayram, Hatice; Şükran Çakar, Esra; Danışman, Nuri

    2015-01-01

    Pentalogy of Cantrell is an extremely rare and lethal syndrome. Ectopia cordis is frequently found in fetuses with POC but not required for incomplete forms. Likewise, meningomyelocele is a relatively uncommon neural tube defect affecting central nervous system and associated with neurological problems. Herein, we presented a woman with dizygotic twin pregnancy having coincidence of incomplete POC and MMC in each individual fetus, which has never been reported previously. PMID:26421202

  1. PG-M1: A New Monoclonal Antibody Directed against a Fixative-Resistant Epitope on the Macrophage-Restricted Form of the CD68 Molecule

    PubMed Central

    Falini, Brunangelo; Flenghi, Leonardo; Pileri, Stefano; Gambacorta, Marcello; Bigerna, Barbara; Durkop, Horst; Eitelbach, Florian; Thiele, Juergen; Pacini, Roberta; Cavaliere, Antonio; Martelli, Massimo; Cardarelli, Nadia; Sabattini, Elena; Poggi, Simonetta; Stein, Harald

    1993-01-01

    A new anti-macrophage monoclonal antibody (PG-M1) was produced by immunizing BALB/c mice with fresh spleen cells from a patient with Gaucher's disease. PG-M1 reacts strongly with a fixative-resistant epitope of an intracytoplasmic molecule, selectively expressed by virtually all macrophages of the human body. Although attempts to immunoprecipitate the molecule recognized by PG-M1 have failed so far, the reactivity of the antibody with COS-1 and WOP cells transfected with a human complementary DNA clone encoding for the CD68 antigen suggests that PG-M1 is a new member of the CD68 cluster. However, unlike other CD68 antibodies (KP1, EBM11, etc.), which react with both macrophages and myeloid cells, PG-M1 detects a fixative-resistant epitope on the macrophage-restricted form of the CD68 antigen. In 957 routinely fixed, paraffin-embedded samples, PG-M1 showed a more restricted reactivity with elements of the monocyte/macrophage lineage than the previously described monoclonal antibodies MAC-387 (anti-calgranulins), KP1 (CD68) and Ki-M1P. Among hematological malignancies, PG-M1 only labels acute leukemias of M4 and M5 type and rare examples of malignant histiocytosis/true histiocytic sarcoma. In contrast, acute leukemias of the M1, M2, M3, M6, M7, and L1-L3 types, non-Hodgkin's lymphomas, and Hodgkin and Reed-Sternberg cells of Hodgkin's disease are consistently PG-M1-negative. In the daily diagnostic practice, PG-M1 seems to be particularly valuable for the diagnosis of myelomonocytic or monocytic leukemia and neoplasms of true histiocytic origin in routine paraffin sections. ImagesFigure 1Figure 2Figure 1Figure 2 PMID:7684194

  2. Universal perturbative explicitly correlated basis set incompleteness correction

    NASA Astrophysics Data System (ADS)

    Torheyden, Martin; Valeev, Edward F.

    2009-11-01

    Basis set incompleteness error for an arbitrary approximate electronic wave function is robustly reduced using a second-order perturbative correction into a basis of explicitly correlated, internally contracted geminal functions. The Hylleraas functional for the second-order energy correction is evaluated algebraically involving at most a four-electron reduced density matrix and four-electron integrals. By using the R12 technology in combination with screening approximations such a correction only requires a two-electron reduced density matrix and two-electron integrals. Preliminary investigations of potential energy surfaces of hydrogen fluoride and nitrogen molecules at the multireference configuration interaction singles and doubles indicate that with the perturbative correction only an aug-cc-pVDZ basis is necessary to compute correlation energies of an aug-cc-pVQZ quality, or better. The proposed correction, dubbed [2]R12, can in principle be combined with any single reference and multireference method in use today.

  3. 19 CFR 4.75 - Incomplete manifest; incomplete export declarations; bond.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 15 CFR 30.24), the port director may accept in lieu thereof an incomplete manifest (referred to as a... Polish People's Republic (Including Danzig) Rumania South Yemen Union of Soviet Socialist Republics...

  4. 19 CFR 4.75 - Incomplete manifest; incomplete export declarations; bond.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 15 CFR 30.24), the port director may accept in lieu thereof an incomplete manifest (referred to as a... Polish People's Republic (Including Danzig) Rumania South Yemen Union of Soviet Socialist Republics...

  5. 19 CFR 4.75 - Incomplete manifest; incomplete export declarations; bond.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 15 CFR 30.24), the port director may accept in lieu thereof an incomplete manifest (referred to as a... Polish People's Republic (Including Danzig) Rumania South Yemen Union of Soviet Socialist Republics...

  6. 19 CFR 4.75 - Incomplete manifest; incomplete export declarations; bond.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 15 CFR 30.24), the port director may accept in lieu thereof an incomplete manifest (referred to as a... Polish People's Republic (Including Danzig) Rumania South Yemen Union of Soviet Socialist Republics...

  7. 19 CFR 4.75 - Incomplete manifest; incomplete export declarations; bond.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 15 CFR 30.24), the port director may accept in lieu thereof an incomplete manifest (referred to as a... sector of Berlin) Hungary Iran Iraq Laos Latvia Libya Lithuania Mongolian People's Republic North...

  8. Past incompleteness of a bouncing multiverse

    SciTech Connect

    Vilenkin, Alexander; Zhang, Jun E-mail: jun.zhang@tufts.edu

    2014-06-01

    According to classical GR, Anti-de Sitter (AdS) bubbles in the multiverse terminate in big crunch singularities. It has been conjectured, however, that the fundamental theory may resolve these singularities and replace them by nonsingular bounces. This may have important implications for the beginning of the multiverse. Geodesics in cosmological spacetimes are known to be past-incomplete, as long as the average expansion rate along the geodesic is positive, but it is not clear that the latter condition is satisfied if the geodesic repeatedly passes through crunching AdS bubbles. We investigate this issue in a simple multiverse model, where the spacetime consists of a patchwork of FRW regions. The conclusion is that the spacetime is still past-incomplete, even in the presence of AdS bounces.

  9. Incomplete discoid lateral meniscus: a case report.

    PubMed

    Murlimanju, B V; Nair, N; Ganesan, S; Krishnamurthy, A

    2013-01-01

    The variations of lateral meniscus include pathologic entities which vary in size, shape and attachment. In this manuscript, we report a case of discoid lateral meniscus which was observed in an embalmed fetal cadaver. It was an incomplete variety of the discoid meniscus and observed on the right side knee. The clinical implication of this discoid meniscus has been emphasized along with the review of literature. The morphological and embryologic details of the discoid lateral menisci are discussed. PMID:24045517

  10. A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane.

    PubMed

    West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

    2015-10-15

    The quantitative analysis of molecular density matrices in terms of oriented quasi-atomic orbitals (QUAOs) is shown to yield detailed conceptual insight into the dissociation of dioxetane on the basis of ab initio wave functions. The QUAOs persist and can be followed throughout the reaction path. The kinetic bond orders and the orbital populations of the QUAOs quantitatively reveal the changes of the bonding interactions along the reaction path. At the transition state the OO bond is broken, and the molecule becomes a biradical. After the transition state the reaction path bifurcates. The minimum energy path gently descends from the transition state via a valley-ridge inflection point to a second saddle point, from which two new minimum energy paths lead to two equivalent formaldehyde dimers. The CC bond breaks, and the π-bonds of the formaldehyde fragments form in close vicinity of the second saddle point. The changes of the interactions in this region are elucidated by the analysis of the rearrangements of the QUAOs. PMID:26371996

  11. Targeted DNA Methylation by a DNA Methyltransferase Coupled to a Triple Helix Forming Oligonucleotide To Down-Regulate the Epithelial Cell Adhesion Molecule

    PubMed Central

    2010-01-01

    The epithelial cell adhesion molecule (EpCAM) is a membrane glycoprotein that has been identified as a marker of cancer-initiating cells. EpCAM is highly expressed on most carcinomas, and transient silencing of EpCAM expression leads to reduced oncogenic potential. To silence the EpCAM gene in a persistent manner via targeted DNA methylation, a low activity mutant (C141S) of the CpG-specific DNA methyltransferase M.SssI was coupled to a triple-helix-forming oligonucleotide (TFO−C141S) specifically designed for the EpCAM gene. Reporter plasmids encoding the green fluorescent protein under control of different EpCAM promoter fragments were treated with the TFO−C141S conjugate to determine the specificity of targeted DNA methylation in the context of a functional EpCAM promoter. Treatment of the plasmids with TFO−C141S resulted in efficient and specific methylation of the targeted CpG located directly downstream of the triple helix forming site (TFS). No background DNA methylation was observed neither in a 700 bp region of the EpCAM promoter nor in a 400 bp region of the reporter gene downstream of the TFS. Methylation of the target CpG did not have a detectable effect on promoter activity. This study shows that the combination of a specific TFO and a reduced activity methyltransferase variant can be used to target DNA methylation to predetermined sites with high specificity, allowing determination of crucial CpGs for promoter activity. PMID:20593890

  12. Yield decomposition and excitation energy reconstruction in an incomplete fusion reaction

    SciTech Connect

    Chbihi, A.; Sobotka, L.G.; Majka, Z.; Sarantites, D.G.; Stracener, D.W.; Abenante, V.; Semkow, T.M.; Nicolis, N.G. ); Hensley, D.C.; Beene, J.R.; Halbert, M.L. )

    1991-02-01

    The velocity distribution of fusionlike products formed in the reaction 701 MeV {sup 28}Si+{sup 100}Mo is decomposed into 26 incomplete fusion channels. If Coulomb corrections are neglected the yields of the incomplete fusion channels correlate much better with the {ital Q} value for projectile fragmentation than with the {ital Q} value for incomplete fusion. However, the correlation is much improved for incomplete fusion if a Coulomb correction is included. The partition of linear momentum between various sources is deduced using the measured residue velocity, multicomponent fits to light charged particle spectra, and mean neutron multiplicities. This reconstruction indicates that a substantial fraction of the momentum is not detected by our apparatus when slow residues are produced. With reasonable assumptions about this missing momentum component, the initial excitation of the compoundlike system is calculated as a function of the residue velocity.

  13. Classification and data acquisition with incomplete data

    NASA Astrophysics Data System (ADS)

    Williams, David P.

    In remote-sensing applications, incomplete data can result when only a subset of sensors (e.g., radar, infrared, acoustic) are deployed at certain regions. The limitations of single sensor systems have spurred interest in employing multiple sensor modalities simultaneously. For example, in land mine detection tasks, different sensor modalities are better-suited to capture different aspects of the underlying physics of the mines. Synthetic aperture radar sensors may be better at detecting surface mines, while infrared sensors may be better at detecting buried mines. By employing multiple sensor modalities to address the detection task, the strengths of the disparate sensors can be exploited in a synergistic manner to improve performance beyond that which would be achievable with either single sensor alone. When multi-sensor approaches are employed, however, incomplete data can be manifested. If each sensor is located on a separate platform ( e.g., aircraft), each sensor may interrogate---and hence collect data over---only partially overlapping areas of land. As a result, some data points may be characterized by data (i.e., features) from only a subset of the possible sensors employed in the task. Equivalently, this scenario implies that some data points will be missing features. Increasing focus in the future on using---and fusing data from---multiple sensors will make such incomplete-data problems commonplace. In many applications involving incomplete data, it is possible to acquire the missing data at a cost. In multi-sensor remote-sensing applications, data is acquired by deploying sensors to data points. Acquiring data is usually an expensive, time-consuming task, a fact that necessitates an intelligent data acquisition process. Incomplete data is not limited to remote-sensing applications, but rather, can arise in virtually any data set. In this dissertation, we address the general problem of classification when faced with incomplete data. We also address the

  14. A chalcone-related small molecule that induces methuosis, a novel form of non-apoptotic cell death, in glioblastoma cells

    PubMed Central

    2011-01-01

    Background Methuosis is a unique form of non-apoptotic cell death triggered by alterations in the trafficking of clathrin-independent endosomes, ultimately leading to extreme vacuolization and rupture of the cell. Results Here we describe a novel chalcone-like molecule, 3-(2-methyl-1H- indol-3-yl)-1-(4-pyridinyl)-2-propen-1-one (MIPP) that induces cell death with the hallmarks of methuosis. MIPP causes rapid accumulation of vacuoles derived from macropinosomes, based on time-lapse microscopy and labeling with extracellular fluid phase tracers. Vacuolization can be blocked by the cholesterol-interacting compound, filipin, consistent with the origin of the vacuoles from non-clathrin endocytic compartments. Although the vacuoles rapidly acquire some characteristics of late endosomes (Rab7, LAMP1), they remain distinct from lysosomal and autophagosomal compartments, suggestive of a block at the late endosome/lysosome boundary. MIPP appears to target steps in the endosomal trafficking pathway involving Rab5 and Rab7, as evidenced by changes in the activation states of these GTPases. These effects are specific, as other GTPases (Rac1, Arf6) are unaffected by the compound. Cells treated with MIPP lose viability within 2-3 days, but their nuclei show no evidence of apoptotic changes. Inhibition of caspase activity does not protect the cells, consistent with a non-apoptotic death mechanism. U251 glioblastoma cells selected for temozolomide resistance showed sensitivity to MIPP-induced methuosis that was comparable to the parental cell line. Conclusions MIPP might serve as a prototype for new drugs that could be used to induce non-apoptotic death in cancers that have become refractory to agents that work through DNA damage and apoptotic mechanisms. PMID:21639944

  15. Dynamic pattern matcher using incomplete data

    NASA Technical Reports Server (NTRS)

    Johnson, Gordon G. (Inventor); Wang, Lui (Inventor)

    1993-01-01

    This invention relates generally to pattern matching systems, and more particularly to a method for dynamically adapting the system to enhance the effectiveness of a pattern match. Apparatus and methods for calculating the similarity between patterns are known. There is considerable interest, however, in the storage and retrieval of data, particularly, when the search is called or initiated by incomplete information. For many search algorithms, a query initiating a data search requires exact information, and the data file is searched for an exact match. Inability to find an exact match thus results in a failure of the system or method.

  16. Incomplete Dirac reduction of constrained Hamiltonian systems

    SciTech Connect

    Chandre, C.

    2015-10-15

    First-class constraints constitute a potential obstacle to the computation of a Poisson bracket in Dirac’s theory of constrained Hamiltonian systems. Using the pseudoinverse instead of the inverse of the matrix defined by the Poisson brackets between the constraints, we show that a Dirac–Poisson bracket can be constructed, even if it corresponds to an incomplete reduction of the original Hamiltonian system. The uniqueness of Dirac brackets is discussed. The relevance of this procedure for infinite dimensional Hamiltonian systems is exemplified.

  17. Catalytic combustion with incompletely vaporized residual fuel

    NASA Technical Reports Server (NTRS)

    Rosfjord, T. J.

    1981-01-01

    Catalytic combustion of fuel lean mixtures of incompletely vaporized residual fuel and air was investigated. The 7.6 cm diameter, graded cell reactor was constructed from zirconia spinel substrate and catalyzed with a noble metal catalyst. Streams of luminous particles exited the rector as a result of fuel deposition and carbonization on the substrate. Similar results were obtained with blends of No. 6 and No. 2 oil. Blends of shale residual oil and No. 2 oil resulted in stable operation. In shale oil blends the combustor performance degraded with a reduced degree of fuel vaporization. In tests performed with No. 2 oil a similar effect was observed.

  18. Robust pulmonary lobe segmentation against incomplete fissures

    NASA Astrophysics Data System (ADS)

    Gu, Suicheng; Zheng, Qingfeng; Siegfried, Jill; Pu, Jiantao

    2012-03-01

    As important anatomical landmarks of the human lung, accurate lobe segmentation may be useful for characterizing specific lung diseases (e.g., inflammatory, granulomatous, and neoplastic diseases). A number of investigations showed that pulmonary fissures were often incomplete in image depiction, thereby leading to the computerized identification of individual lobes a challenging task. Our purpose is to develop a fully automated algorithm for accurate identification of individual lobes regardless of the integrity of pulmonary fissures. The underlying idea of the developed lobe segmentation scheme is to use piecewise planes to approximate the detected fissures. After a rotation and a global smoothing, a number of small planes were fitted using local fissures points. The local surfaces are finally combined for lobe segmentation using a quadratic B-spline weighting strategy to assure that the segmentation is smooth. The performance of the developed scheme was assessed by comparing with a manually created reference standard on a dataset of 30 lung CT examinations. These examinations covered a number of lung diseases and were selected from a large chronic obstructive pulmonary disease (COPD) dataset. The results indicate that our scheme of lobe segmentation is efficient and accurate against incomplete fissures.

  19. Rate-dependent incompleteness of earthquake catalogs

    NASA Astrophysics Data System (ADS)

    Hainzl, Sebastian

    2016-04-01

    Important information about the earthquake generation process can be gained from instrumental earthquake catalogs, but this requires complete recordings to avoid biased results. The local completeness magnitude Mc is known to depend on general conditions such as the seismographic network and the environmental noise, which generally limit the possibility to detect small events. The detectability can be additionally reduced by an earthquake-induced increase of the noise-level leading to short-term variations of Mc, which cannot be resolved by traditional methods relying on the analysis of the frequency-magnitude distribution. Based on simple assumptions, I propose a new method to estimate such temporal excursions of Mc solely based on the estimation of the earthquake rate resulting in a high temporal resolution of Mc. The approach is shown to be in agreement with the apparent decrease of the estimated Gutenberg-Richter b-value in high-activity phases of recorded data sets and the observed incompleteness periods after mainshocks. Furthermore, an algorithm to estimate temporal changes of Mc is introduced and applied to empirical aftershock and swarm sequences from California and central Europe, indicating that observed b-value fluctuations are often related to rate-dependent incompleteness of the earthquake catalogs.

  20. Social Interactions under Incomplete Information: Games, Equilibria, and Expectations

    NASA Astrophysics Data System (ADS)

    Yang, Chao

    Interactions under Incomplete Information", is an application of the first chapter to censored outcomes, corresponding to the situation when agents" behaviors are subjected to some binding restrictions. In an interesting empirical analysis for property tax rates set by North Carolina municipal governments, it is found that there is a significant positive correlation among near-by municipalities. Additionally, some private information about its own residents is used by a municipal government to predict others' tax rates, which enriches current empirical work about tax competition. The third chapter, "Social Interactions under Incomplete Information with Multiple Equilibria", extends the first chapter by investigating effective estimation methods when the condition for a unique equilibrium may not be satisfied. With multiple equilibria, the previous model is incomplete due to the unobservable equilibrium selection. Neither conventional likelihoods nor moment conditions can be used to estimate parameters without further specifications. Although there are some solutions to this issue in the current literature, they are based on strong assumptions such as agents with the same observable characteristics play the same strategy. This paper relaxes those assumptions and extends the all-solution method used to estimate discrete choice games to a setting with both discrete and continuous choices, bounded and unbounded outcomes, and a general form of incomplete information, where the existence of a pure strategy equilibrium has been an open question for a long time. By the use of differential topology and functional analysis, it is found that when all exogenous characteristics are public information, there are a finite number of equilibria. With privately known exogenous characteristics, the equilbria can be represented by a compact set in a Banach space and be approximated by a finite set. As a result, a finite-state probability mass function can be used to specify a probability measure

  1. Building Chaotic Model From Incomplete Time Series

    NASA Astrophysics Data System (ADS)

    Siek, Michael; Solomatine, Dimitri

    2010-05-01

    This paper presents a number of novel techniques for building a predictive chaotic model from incomplete time series. A predictive chaotic model is built by reconstructing the time-delayed phase space from observed time series and the prediction is made by a global model or adaptive local models based on the dynamical neighbors found in the reconstructed phase space. In general, the building of any data-driven models depends on the completeness and quality of the data itself. However, the completeness of the data availability can not always be guaranteed since the measurement or data transmission is intermittently not working properly due to some reasons. We propose two main solutions dealing with incomplete time series: using imputing and non-imputing methods. For imputing methods, we utilized the interpolation methods (weighted sum of linear interpolations, Bayesian principle component analysis and cubic spline interpolation) and predictive models (neural network, kernel machine, chaotic model) for estimating the missing values. After imputing the missing values, the phase space reconstruction and chaotic model prediction are executed as a standard procedure. For non-imputing methods, we reconstructed the time-delayed phase space from observed time series with missing values. This reconstruction results in non-continuous trajectories. However, the local model prediction can still be made from the other dynamical neighbors reconstructed from non-missing values. We implemented and tested these methods to construct a chaotic model for predicting storm surges at Hoek van Holland as the entrance of Rotterdam Port. The hourly surge time series is available for duration of 1990-1996. For measuring the performance of the proposed methods, a synthetic time series with missing values generated by a particular random variable to the original (complete) time series is utilized. There exist two main performance measures used in this work: (1) error measures between the actual

  2. Relativistic four- and two-component calculations of parity violation effects in chiral tungsten molecules of the form NWXYZ (X, Y, Z = H, F, Cl, Br, or I).

    PubMed

    Figgen, Detlev; Saue, Trond; Schwerdtfeger, Peter

    2010-06-21

    Parity violation (PV) effects to the electronic ground state structure for a series of chiral tungsten molecules of the type NWXYZ (X, Y, Z = H, F, Cl, Br, or I) are compared using four- (Dirac) and two- (X2C) component relativistic Hartree-Fock and density functional theories. The results show the computationally more affordable two-component X2C approach yields accurate results for all molecules investigated. The PV energy differences between the two enantiomers range from as little as 0.4 Hz for NWClBrI to 140 Hz for NWHClI using a generalized gradient approximation including exact exchange (B3LYP). The W-N stretching mode in these molecules lies in the experimentally favorable CO(2) laser frequency range, and we therefore investigated PV effects in vibrational transitions using a single normal mode analysis. Here the PV frequency shift between the two enantiomers ranges from 1.6 mHz for NWFBrI to 710 mHz for NWHClI. Thus these types of molecules could be useful for the future detection of PV effects in chiral molecules. PMID:20572708

  3. Post's program and incomplete recursively enumerable sets.

    PubMed Central

    Harrington, L; Soare, R I

    1991-01-01

    A set A of nonnegative integers is recursively enumerable (r.e.) if A can be computably listed. It is shown that there is a first-order property, Q(X), definable in E, the lattice of r.e. sets under inclusion, such that (i) if A is any r.e. set satisfying Q(A) then A is nonrecursive and Turing incomplete and (ii) there exists an r.e. set A satisfying Q(A). This resolves a long open question stemming from Post's program of 1944, and it sheds light on the fundamental problem of the relationship between the algebraic structure of an r.e. set A and the (Turing) degree of information that A encodes. PMID:11607241

  4. Enhanced photoabsorption efficiency of incomplete nanoshells.

    PubMed

    Venkatapathi, Murugesan; Dastidar, Sudipta G; Bharath, P; Roy, Arindam; Ghosh, Anupam

    2013-09-01

    The rather low scattering or extinction efficiency of small nanoparticles, metallic and otherwise, is significantly enhanced when they are adsorbed on a larger core particle. But the photoabsorption by particles with varying surface area fractions on a larger core particle is found to be limited by saturation. It is found that the core-shell particle can have a lower absorption efficiency than a dielectric core with its surface partially nucleated with absorbing particles-an "incomplete nanoshell" particle. We have both numerically and experimentally studied the optical efficiencies of titania (TiO2) nucleated in various degrees on silica (SiO2) nanospheres. We show that optimal surface nucleation over cores of appropriate sizes and optical properties will have a direct impact on the applications exploiting the absorption and scattering properties of such composite particles. PMID:23988933

  5. Regulatory perspective on incomplete control rod insertions

    SciTech Connect

    Chatterton, M.

    1997-01-01

    The incomplete control rod insertions experienced at South Texas Unit 1 and Wolf Creek are of safety concern to the NRC staff because they represent potential precursors to loss of shutdown margin. Even before it was determined if these events were caused by the control rods or by the fuel there was an apparent correlation of the problem with high burnup fuel. It was determined that there was also a correlation between high burnup and high drag forces as well as with rod drop time histories and lack of rod recoil. The NRC staff initial actions were aimed at getting a perspective on the magnitude of the problem as far as the number of plants and the amount of fuel that could be involved, as well as the safety significance in terms of shutdown margin. As tests have been performed and data has been analyzed the focus has shifted more toward understanding the problem and the ways to eliminate it. At this time the staff`s understanding of the phenomena is that it was a combination of factors including burnup, power history and temperature. The problem appears to be very sensitive to these factors, the interaction of which is not clearly understood. The model developed by Westinghouse provides a possible explanation but there is not sufficient data to establish confidence levels and sensitivity studies involving the key parameters have not been done. While several fixes to the problem have been discussed, no definitive fixes have been proposed. Without complete understanding of the phenomena, or fixes that clearly eliminate the problem the safety concern remains. The safety significance depends on the amount of shutdown margin lost due to incomplete insertion of the control rods. Were the control rods to stick high in the core, the reactor could not be shutdown by the control rods and other means such as emergency boration would be required.

  6. In praise of the incomplete leader.

    PubMed

    Ancona, Deborah; Malone, Thomas W; Orlikowski, Wanda J; Senge, Peter M

    2007-02-01

    Today's top executives are expected to do everything right, from coming up with solutions to unfathomably complex problems to having the charisma and prescience to rally stakeholders around a perfect vision of the future. But no one leader can be all things to all people. It's time to end the myth of the complete leader, say the authors. Those at the top must come to understand their weaknesses as well as their strengths. Only by embracing the ways in which they are incomplete can leaders fill in the gaps in their knowledge with others' skills. The incomplete leader has the confidence and humility to recognize unique talents and perspectives throughout the organization--and to let those qualities shine. The authors' work studying leadership over the past six years has led them to develop a framework of distributed leadership. Within that model, leadership consists of four capabilities: sensemaking, relating, "visioning," and inventing. Sensemaking involves understanding and mapping the context in which a company and its people operate. A leader skilled in this area can quickly identify the complexities of a given situation and explain them to others. The second capability, relating, means being able to build trusting relationships with others through inquiring (listening with intention), advocating (explaining one's own point of view), and connecting (establishing a network of allies who can help a leader accomplish his or her goals). Visioning, the third capability, means coming up with a compelling image of the future. It is a collaborative process that articulates what the members of an organization want to create. Finally, inventing involves developing new ways to bring that vision to life. Rarely will a single person be skilled in all four areas. That's why it's critical that leaders find others who can offset their limitations and complement their strengths. Those who don't will not only bear the burden of leadership alone but will find themselves at the helm

  7. Dynamical properties of nimodipine molecules confined in SBA-15 matrix

    NASA Astrophysics Data System (ADS)

    Kiwilsza, A.; Pajzderska, A.; Mielcarek, J.; Jenczyk, J.; Wąsicki, J.

    2016-08-01

    The paper reports results of 13C and 1H ssNMR for nimodipine confined in mesopores of SBA-15 for the samples (i) containing nimodipine molecules inside and on the external surface of silica, (ii) containing nimodipine only inside pores forming an incomplete monolayer on the surface (iii) for bulk nimodipine. The measurements permitted comparison of the dynamics of nimodipine bulk and confined in pores. The confined nimodipine is in an amorphous state and has additional degrees of rotational freedom with respect to the bulk one. The height of the energy barrier related to the rotation of methyl groups in confined nimodipine is lower than in bulk nimodipine. The higher mobility of nimodipine molecules confined in silica pores can explain the higher release rate of nimodipine from silica matrix than dissolution rate of bulk drug.

  8. A spectroscopic experimental and computer-assisted empirical model for the production and energetics of excited oxygen molecules formed by atom recombination on shuttle tile surfaces

    NASA Technical Reports Server (NTRS)

    Owan, D. A.

    1981-01-01

    A visible emission spectroscopic method was developed. The amounts of excited singlet and triplet oxygen molecules produced by recombination on the Space Shuttle Orbiter thermal protective tiles at elevated temperatures are determined. Rate constants and energetics of the extremely exothermic reaction are evaluated in terms of a chemical and mathematical model. Implications for potential contribution to Shuttle surface reentry heating fluxes are outlined.

  9. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms.

    PubMed

    Yu, Haoyu; Truhlar, Donald G

    2015-07-14

    Although many transition metal complexes are known to have high multireference character, the multireference character of main-group closed-shell singlet diatomic molecules like BeF, CaO, and MgO has been less studied. However, many group-1 and group-2 diatomic molecules do have multireference character, and they provide informative systems for studying multireference character because they are simpler than transition metal compounds. The goal of the present work is to understand these multireference systems better so that, ultimately, we can apply what we learn to more complicated multireference systems and to the design of new exchange-correlation functionals for treating multireference systems more adequately. Fourteen main-group diatomic molecules and one triatomic molecule (including radicals, cations, and anions, as well as neutral closed-shell species) have been studied for this article. Eight of these molecules contain a group-1 element, and six contain a group-2 element. Seven of these molecules are multireference systems, and eight of them are single-reference systems. Fifty-three exchange-correlation functionals of 11 types [local spin-density approximation (LSDA), generalized gradient approximation (GGA), nonseparable gradient approximation (NGA), global-hybrid GGA, meta-GGA, meta-NGA, global-hybrid meta GGA, range-separated hybrid GGA, range-separated hybrid meta-GGA, range-separated hybrid meta-NGA, and DFT augmented with molecular mechanics damped dispersion (DFT-D)] and the Hartree-Fock method have been applied to calculate the bond distance, bond dissociation energy (BDE), and dipole moment of these molecules. All of the calculations are converged to a stable solution by allowing the symmetry of the Slater determinant to be broken. A reliable functional should not only predict an accurate BDE but also predict accurate components of the BDE, so each bond dissociation energy has been decomposed into ionization potential (IP) of the electropositive

  10. Scalable tensor factorizations with incomplete data.

    SciTech Connect

    Morup, Morten; Dunlavy, Daniel M.; Acar, Evrim; Kolda, Tamara Gibson

    2010-07-01

    The problem of incomplete data - i.e., data with missing or unknown values - in multi-way arrays is ubiquitous in biomedical signal processing, network traffic analysis, bibliometrics, social network analysis, chemometrics, computer vision, communication networks, etc. We consider the problem of how to factorize data sets with missing values with the goal of capturing the underlying latent structure of the data and possibly reconstructing missing values (i.e., tensor completion). We focus on one of the most well-known tensor factorizations that captures multi-linear structure, CANDECOMP/PARAFAC (CP). In the presence of missing data, CP can be formulated as a weighted least squares problem that models only the known entries. We develop an algorithm called CP-WOPT (CP Weighted OPTimization) that uses a first-order optimization approach to solve the weighted least squares problem. Based on extensive numerical experiments, our algorithm is shown to successfully factorize tensors with noise and up to 99% missing data. A unique aspect of our approach is that it scales to sparse large-scale data, e.g., 1000 x 1000 x 1000 with five million known entries (0.5% dense). We further demonstrate the usefulness of CP-WOPT on two real-world applications: a novel EEG (electroencephalogram) application where missing data is frequently encountered due to disconnections of electrodes and the problem of modeling computer network traffic where data may be absent due to the expense of the data collection process.

  11. Infrared spectroscopic observation of the stabilized intermediate complex FO{sub 3} formed by reaction of mobile fluorine atoms with ozone molecules trapped in an argon matrix

    SciTech Connect

    Misochko, E.Y.; Akimov, A.V.; Wight, C.A.

    1999-10-07

    Chemical reaction of F atoms with O{sub 3} molecules in a solid argon matrix was studied with FTIR spectroscopy. Fluorine atoms were generated by UV photolysis of F{sub 2} molecules in dilute solutions of F{sub 2} and O{sub 3} in solid argon. The FO-O{sub 2} complex is observed for the first time as an intermediate product by reaction of mobile F atoms with isolated ozone molecules. The observed complex is characterized by two intense absorption bands at 1522 and 968 cm{sup {minus}1}. Use of isotopic mixtures {sup 16}O/{sup 18}O provides strong evidence for assignment of these bands to the O-O stretch and F-O stretch fundamentals of the complex, which are red-shifted by 34 and 61 cm{sup {minus}1}, respectively, from the corresponding values for O{sub 2} and FO. Photolysis at 532 nm leads to decay of the FO-O{sub 2} complexes and to the appearance of isolated free FO radicals.

  12. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  13. Ab-initio phasing using nanocrystal shape transforms with incomplete unit cells

    PubMed Central

    Liu, Haiguang; Zatsepin, Nadia A.; Spence, John C. H.

    2014-01-01

    X-ray free electron lasers are used in measuring diffraction patterns from nanocrystals in the ‘diffract-before-destroy’ mode by outrunning radiation damage. The finite-sized nanocrystals provide an opportunity to recover intensity between Bragg spots by removing the modulating function that depends on crystal shape, i.e. the transform of the crystal shape. This shape-transform dividing-out scheme for solving the phase problem has been tested using simulated examples with cubic crystals. It provides a phasing method which does not require atomic resolution data, chemical modification to the sample, or modelling based on the protein databases. It is common to find multiple structural units (e.g. molecules, in symmetry-related positions) within a single unit cell, therefore incomplete unit cells (e.g. one additional molecule) can be observed at surface layers of crystals. In this work, the effects of such incomplete unit cells on the ‘dividing-out’ phasing algorithm are investigated using 2D crystals within the projection approximation. It is found that the incomplete unit cells do not hinder the recovery of the scattering pattern from a single unit cell (after dividing out the shape transforms from data merged from many nanocrystals of different sizes), assuming that certain unit-cell types are preferred. The results also suggest that the dynamic range of the data is a critical issue to be resolved in order to apply the shape transform method practically. PMID:25075316

  14. Adapting DFT+U for the Chemically Motivated Correction of Minimal Basis Set Incompleteness.

    PubMed

    Kulik, Heather J; Seelam, Natasha; Mar, Brendan D; Martínez, Todd J

    2016-07-28

    Recent algorithmic and hardware advances have enabled the application of electronic structure methods to the study of large-scale systems such as proteins with O(10(3)) atoms. Most such methods benefit greatly from the use of reduced basis sets to further enhance their speed, but truly minimal basis sets are well-known to suffer from incompleteness error that gives rise to incorrect descriptions of chemical bonding, preventing minimal basis set use in production calculations. We present a strategy for improving these well-known shortcomings in minimal basis sets by selectively tuning the energetics and bonding of nitrogen and oxygen atoms within proteins and small molecules to reproduce polarized double-ζ basis set geometries at minimal basis set cost. We borrow the well-known +U correction from the density functional theory community normally employed for self-interaction errors and demonstrate its power in the context of correcting basis set incompleteness within a formally self-interaction-free Hartree-Fock framework. We tune the Hubbard U parameters for nitrogen and oxygen atoms on small-molecule tautomers (e.g., cytosine), demonstrate the applicability of the approach on a number of amide-containing molecules (e.g., formamide, alanine tripeptide), and test our strategy on a 10 protein test set where anomalous proton transfer events are reduced by 90% from RHF/STO-3G to RHF/STO-3G+U, bringing the latter into quantitative agreement with RHF/6-31G* results. Although developed with the study of biological molecules in mind, this empirically tuned U approach shows promise as an alternative strategy for correction of basis set incompleteness errors. PMID:27383567

  15. Incomplete fusion in 16O+159Tb

    NASA Astrophysics Data System (ADS)

    Sharma, Vijay R.; Singh, Pushpendra P.; Shuaib, Mohd.; Yadav, Abhishek; Bala, Indu; Sharma, Manoj K.; Gupta, S.; Singh, D. P.; Kumar, R.; Muralithar, S.; Singh, R. P.; Singh, B. P.; Prasad, R.; Bhowmik, R. K.

    2016-02-01

    In heavy-ion induced reactions, incomplete fusion (ICF) has been found to be a process of greater importance and of distinct nature even at slightly above the barrier energies where complete fusion (CF) is supposed to be dominant. However, the studies are limited to a few projectile target combinations only. To confirm the distinctly different decay patterns observed in case of CF and ICF residues, and to understand the role of high ℓ-values in the onset of ICF, a particle-γ-coincidence technique has been employed to measure spin-distributions and feeding intensity profiles of CF and ICF residues populated via xn / pxn / αxn-channels in 16O+159Tb interactions at Elab ≈ 83.5 ± 1.5, 88.5 ± 1.5, 93.5 ± 1.5 and 97.6 ± 1.4 MeV. The Gamma Detector Array and the Charged Particles Detector Array have been used to detect prompt γ-rays in coincidence with charged particles (p and α). CF-α and ICF-α channels have been identified from backward (B)- and forward (F)-α-gated-γ-spectra, respectively. Reaction dependent decay patterns (thus, the feeding intensity profiles) have been observed in different α emitting channels. The CF channels are found to be widely populated and strongly fed over a broad spin range. In case of ICF-α channels, narrow range feeding was observed only for high-spin states or the low spin states were not populated. The mean ℓ-values involved in the production of ICF- αxn-channels are found to be higher than those involved in the production of CF- αxn-channels associated with fusion-evaporation reactions.

  16. Emission spectrometric arcing procedure with minimal effect of chemical form of sample. [performed on refractory metal matrix composites

    NASA Technical Reports Server (NTRS)

    Gordon, W. A.

    1975-01-01

    Matrix effects related to the chemical form of analyzed materials were studied. An arc in argon was used which was buffered with silver chloride. The effect of chemical form was minimal for a variety of metals, oxides, and carbides representing the most refractory compounds and thermally stable metal-containing molecules. Only four of the most refractory materials known showed significant emission depressions due to incomplete volatilization in the arc system. These results are discussed in terms of vapor pressures of the solid materials placed on the anodes and dissociation reactions of the molecules in the gaseous environment.

  17. 49 CFR 568.4 - Requirements for incomplete vehicle manufacturers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 6 2011-10-01 2011-10-01 false Requirements for incomplete vehicle manufacturers. 568.4 Section 568.4 Transportation Other Regulations Relating to Transportation (Continued) NATIONAL HIGHWAY TRAFFIC SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION VEHICLES MANUFACTURED IN TWO OR MORE STAGES-ALL INCOMPLETE, INTERMEDIATE...

  18. 7 CFR 764.52 - Processing an incomplete application.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 7 2010-01-01 2010-01-01 false Processing an incomplete application. 764.52 Section 764.52 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF AGRICULTURE SPECIAL PROGRAMS DIRECT LOAN MAKING Loan Application Process § 764.52 Processing an incomplete application. (a) Within 10...

  19. The Grade of Incomplete: A Brief Review and Comment.

    ERIC Educational Resources Information Center

    Counelis, James Steve

    Current policy on the distribution of incomplete grades designates such grades as indicating postponement of an examination and/or other assignment for some serious reason. The current policy of converting a grade of incomplete to F after some stated time interval is open to question. Current university policy on the automatic conversion of…

  20. Loss of Information in Estimating Item Parameters in Incomplete Designs

    ERIC Educational Resources Information Center

    Eggen, Theo J. H. M.; Verelst, Norman D.

    2006-01-01

    In this paper, the efficiency of conditional maximum likelihood (CML) and marginal maximum likelihood (MML) estimation of the item parameters of the Rasch model in incomplete designs is investigated. The use of the concept of F-information (Eggen, 2000) is generalized to incomplete testing designs. The scaled determinant of the F-information…

  1. Reducing Unnecessary Accumulation of Incomplete Grades: A Quality Improvement Project

    ERIC Educational Resources Information Center

    Domocmat, Maria Carmela L.

    2015-01-01

    It has been noted that there is an increasing percentage of students accumulating incomplete (INC) grades. This paper aims to identify the factors that contribute to the accumulation of incomplete grades of students and, utilizing the best practices of various universities worldwide, it intends to recommend solutions in limiting the number of…

  2. The Incomplete Social Psychology of Aging: A Psychologist's Perspective.

    ERIC Educational Resources Information Center

    Blank, Thomas O.

    1981-01-01

    Suggests that the social psychology of aging, as currently practiced within social gerontology, is incomplete. Examines this incompleteness (its origins, range, and effects), and presents outlines of a more complete social psychology of aging. Suggests a life span developmental social psychology would have beneficial effects. (Author)

  3. 49 CFR 630.6 - Late and incomplete reports.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 7 2013-10-01 2013-10-01 false Late and incomplete reports. 630.6 Section 630.6 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL TRANSIT ADMINISTRATION, DEPARTMENT OF TRANSPORTATION NATIONAL TRANSIT DATABASE § 630.6 Late and incomplete reports. (a) Late...

  4. 49 CFR 630.6 - Late and incomplete reports.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 7 2011-10-01 2011-10-01 false Late and incomplete reports. 630.6 Section 630.6 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL TRANSIT ADMINISTRATION, DEPARTMENT OF TRANSPORTATION NATIONAL TRANSIT DATABASE § 630.6 Late and incomplete reports. (a) Late...

  5. 49 CFR 630.6 - Late and incomplete reports.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 7 2014-10-01 2014-10-01 false Late and incomplete reports. 630.6 Section 630.6 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL TRANSIT ADMINISTRATION, DEPARTMENT OF TRANSPORTATION NATIONAL TRANSIT DATABASE § 630.6 Late and incomplete reports. (a) Late...

  6. 49 CFR 630.6 - Late and incomplete reports.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 7 2010-10-01 2010-10-01 false Late and incomplete reports. 630.6 Section 630.6 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL TRANSIT ADMINISTRATION, DEPARTMENT OF TRANSPORTATION NATIONAL TRANSIT DATABASE § 630.6 Late and incomplete reports. (a) Late...

  7. 49 CFR 630.6 - Late and incomplete reports.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 7 2012-10-01 2012-10-01 false Late and incomplete reports. 630.6 Section 630.6 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL TRANSIT ADMINISTRATION, DEPARTMENT OF TRANSPORTATION NATIONAL TRANSIT DATABASE § 630.6 Late and incomplete reports. (a) Late...

  8. Treatment of Intravenous Leiomyomatosis with Cardiac Extension following Incomplete Resection.

    PubMed

    Doyle, Mathew P; Li, Annette; Villanueva, Claudia I; Peeceeyen, Sheen C S; Cooper, Michael G; Hanel, Kevin C; Fermanis, Gary G; Robertson, Greg

    2015-01-01

    Aim. Intravenous leiomyomatosis (IVL) with cardiac extension (CE) is a rare variant of benign uterine leiomyoma. Incomplete resection has a recurrence rate of over 30%. Different hormonal treatments have been described following incomplete resection; however no standard therapy currently exists. We review the literature for medical treatments options following incomplete resection of IVL with CE. Methods. Electronic databases were searched for all studies reporting IVL with CE. These studies were then searched for reports of patients with inoperable or incomplete resection and any further medical treatments. Our database was searched for patients with medical therapy following incomplete resection of IVL with CE and their results were included. Results. All studies were either case reports or case series. Five literature reviews confirm that surgery is the only treatment to achieve cure. The uses of progesterone, estrogen modulation, gonadotropin-releasing hormone antagonism, and aromatase inhibition have been described following incomplete resection. Currently no studies have reviewed the outcomes of these treatments. Conclusions. Complete surgical resection is the only means of cure for IVL with CE, while multiple hormonal therapies have been used with varying results following incomplete resection. Aromatase inhibitors are the only reported treatment to prevent tumor progression or recurrence in patients with incompletely resected IVL with CE. PMID:26783463

  9. Treatment of Intravenous Leiomyomatosis with Cardiac Extension following Incomplete Resection

    PubMed Central

    Doyle, Mathew P.; Li, Annette; Villanueva, Claudia I.; Peeceeyen, Sheen C. S.; Cooper, Michael G.; Hanel, Kevin C.; Fermanis, Gary G.; Robertson, Greg

    2015-01-01

    Aim. Intravenous leiomyomatosis (IVL) with cardiac extension (CE) is a rare variant of benign uterine leiomyoma. Incomplete resection has a recurrence rate of over 30%. Different hormonal treatments have been described following incomplete resection; however no standard therapy currently exists. We review the literature for medical treatments options following incomplete resection of IVL with CE. Methods. Electronic databases were searched for all studies reporting IVL with CE. These studies were then searched for reports of patients with inoperable or incomplete resection and any further medical treatments. Our database was searched for patients with medical therapy following incomplete resection of IVL with CE and their results were included. Results. All studies were either case reports or case series. Five literature reviews confirm that surgery is the only treatment to achieve cure. The uses of progesterone, estrogen modulation, gonadotropin-releasing hormone antagonism, and aromatase inhibition have been described following incomplete resection. Currently no studies have reviewed the outcomes of these treatments. Conclusions. Complete surgical resection is the only means of cure for IVL with CE, while multiple hormonal therapies have been used with varying results following incomplete resection. Aromatase inhibitors are the only reported treatment to prevent tumor progression or recurrence in patients with incompletely resected IVL with CE. PMID:26783463

  10. Optimizing Balanced Incomplete Block Designs for Educational Assessments

    ERIC Educational Resources Information Center

    van der Linden, Wim J.; Veldkamp, Bernard P.; Carlson, James E.

    2004-01-01

    A popular design in large-scale educational assessments as well as any other type of survey is the balanced incomplete block design. The design is based on an item pool split into a set of blocks of items that are assigned to sets of "assessment booklets." This article shows how the problem of calculating an optimal balanced incomplete block…

  11. Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers.

    PubMed

    Guo, Pan; Tu, Yusong; Yang, Jinrong; Wang, Chunlei; Sheng, Nan; Fang, Haiping

    2015-10-30

    By combining molecular dynamics simulations and quantum mechanics calculations, we show the formation of a composite structure composed of embedded water molecules and the COOH matrix on carboxyl-terminated self-assembled monolayers (COOH SAMs) with appropriate packing densities. This composite structure with an integrated hydrogen bond network inside reduces the hydrogen bonds with the water above. This explains the seeming contradiction on the stability of the surface water on COOH SAMs observed in experiments. The existence of the composite structure at appropriate packing densities results in the two-step distribution of contact angles of water droplets on COOH SAMs, around 0° and 35°, which compares favorably to the experimental measurements of contact angles collected from forty research articles over the past 25 years. These findings provide a molecular-level understanding of water on surfaces (including surfaces on biomolecules) with hydrophilic functional groups. PMID:26565476

  12. Water-COOH Composite Structure with Enhanced Hydrophobicity Formed by Water Molecules Embedded into Carboxyl-Terminated Self-Assembled Monolayers

    NASA Astrophysics Data System (ADS)

    Guo, Pan; Tu, Yusong; Yang, Jinrong; Wang, Chunlei; Sheng, Nan; Fang, Haiping

    2015-10-01

    By combining molecular dynamics simulations and quantum mechanics calculations, we show the formation of a composite structure composed of embedded water molecules and the COOH matrix on carboxyl-terminated self-assembled monolayers (COOH SAMs) with appropriate packing densities. This composite structure with an integrated hydrogen bond network inside reduces the hydrogen bonds with the water above. This explains the seeming contradiction on the stability of the surface water on COOH SAMs observed in experiments. The existence of the composite structure at appropriate packing densities results in the two-step distribution of contact angles of water droplets on COOH SAMs, around 0° and 35°, which compares favorably to the experimental measurements of contact angles collected from forty research articles over the past 25 years. These findings provide a molecular-level understanding of water on surfaces (including surfaces on biomolecules) with hydrophilic functional groups.

  13. Mind Molecules

    PubMed Central

    Snyder, Solomon H.

    2011-01-01

    Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius “Julie” Axelrod. This focus on creative conceptualizations has been my métier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the “high” that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

  14. Sulfur-bearing molecules observed in the massive star-forming regions, DR21(OH) and G33.92+0.11

    NASA Astrophysics Data System (ADS)

    Minh, Y. C.

    2016-07-01

    Recent high sensitive and high angular resolution observations are providing unprecedented amount of chemical data, especially, on the massive star-forming regions. It will greatly extend our understandings on the complicated star formation process, if we can digest those huge amount of information. We discuss here on the properties of the sulfurbearing species observed with high angular resolutions toward two massive star-forming regions, DR21(OH) and G33.92+0.11. H2S may not exist as a solid form in the grain mantles, but OCS is believed to be one of major solid sulfur species, as suggested before. In addition, the bipolar-like outflow of the H2CS emission observed in DR21(OH) may suggest that H2CS is also one of solid sulfur species on the grain mantles. Depending on the chemical environment, the competition between hydrogenation and oxidization on the grain surface may lead to formation of specific solid forms to dominate, which could be either H2CS or OCS. SO and SO2 are often observed to be associated with ionized gas, such as the UC HII regions. These species seem to be formed in the high temperature turbulent gas in a later stage of star formation after the hot core phase. Fractional abundances of these sulfur-bearing species appear to be consistent to a certain extent in several star-forming regions. The physical and chemical evolution of massive star formation seems to pass through very similar stages in most star-forming regions. Consequently, it may indicate that there exists a consistent and coherent pattern of processes experienced by the massive star formation, in spite of the large variations in small scale locational differences.

  15. The topology of integrable systems with incomplete fields

    SciTech Connect

    Aleshkin, K R

    2014-09-30

    Liouville's theorem holds for Hamiltonian systems with complete Hamiltonian fields which possess a complete involutive system of first integrals; such systems are called Liouville-integrable. In this paper integrable systems with incomplete Hamiltonian fields are investigated. It is shown that Liouville's theorem remains valid in the case of a single incomplete field, while if the number of incomplete fields is greater, a certain analogue of the theorem holds. An integrable system on the algebra sl(3) is taken as an example. Bibliography: 11 titles.

  16. Surface species formed by the adsorption and dissociation of water molecules on Ru(0001) surface containing a small coverage of carbon atoms studied by scanning tunneling microscopy

    SciTech Connect

    Dept of Materials Science and Engineering UCB; Dept of Applied Science and Technology, UCB; Institut de Ciencia de Materials de Barcelona, Barcelona, Spain; Instituto de Ciencia de Materiales de Madrid, Madrid, Spain; Department of Mechanical Engineering, Yale University; Salmeron, Miquel; Shimizu, Tomoko K.; Mugarza, Aitor; Cerda, Jorge I.; Heyde, Markus; Qi, Yabing; Schwarz, Udo D.; Ogletree, D. Frank; Salmeron, Miquel

    2008-04-26

    The adsorption and dissociation of water on a Ru(0001) surface containing a small amount ({le} 3 %) of carbon impurities was studied by scanning tunneling microscopy (STM). Various surface species are formed depending on the temperature. These include molecular H{sub 2}O, H{sub 2}O-C complexes, H, O, OH and CH. Clusters of either pure H{sub 2}O or mixed H{sub 2}O-OH species are also formed. Each of these species produces a characteristic contrast in the STM images and can be identified by experiment and by ab initio total energy calculations coupled with STM image simulations. Manipulation of individual species via excitation of vibrational modes with the tunneling electrons has been used as supporting evidence.

  17. Small molecule PZL318: forming fluorescent nanoparticles capable of tracing their interactions with cancer cells and activated platelets, slowing tumor growth and inhibiting thrombosis

    PubMed Central

    Li, Shan; Wang, Yuji; Wang, Feng; Wang, Yaonan; Zhang, Xiaoyi; Zhao, Ming; Feng, Qiqi; Wu, Jianhui; Zhao, Shurui; Wu, Wei; Peng, Shiqi

    2015-01-01

    Low selectivity of chemotherapy correlates with poor outcomes of cancer patients. To improve this issue, a novel agent, N-(1-[3-methoxycarbonyl-4-hydroxyphenyl]-β-carboline-3-carbonyl)-Trp-Lys-OBzl (PZL318), was reported here. The transmission electron microscopy, scanning electron microscopy, and atomic force microscopy images demonstrated that PZL318 can form nanoparticles. Fluorescent and confocal images visualized that PZL318 formed fluorescent nanoparticles capable of targeting cancer cells and tracing their interactions with cancer cells. In vitro, 40 μM of PZL318 inhibited the proliferation of tumorigenic cells, but not nontumorigenic cells. In vivo, 10 nmol/kg of PZL318 slowed the tumor growth of S180 mice and alleviated the thrombosis of ferric chloride-treated ICR mice, while 100 μmol/kg of PZL318 did not injure healthy mice and they exhibited no liver toxicity. By analyzing Fourier transform–mass spectrometry and rotating-frame Overhauser spectroscopy (ROESY) two-dimensional nuclear magnetic resonance spectra, the chemical mechanism of PZL318-forming trimers and nanoparticles was explored. By using mesoscale simulation, a nanoparticle of 3.01 nm in diameter was predicted containing 13 trimers. Scavenging free radicals, downregulating sP-selectin expression and intercalating toward DNA were correlated with the antitumor mechanism of PZL318. PMID:26345234

  18. Small molecule PZL318: forming fluorescent nanoparticles capable of tracing their interactions with cancer cells and activated platelets, slowing tumor growth and inhibiting thrombosis.

    PubMed

    Li, Shan; Wang, Yuji; Wang, Feng; Wang, Yaonan; Zhang, Xiaoyi; Zhao, Ming; Feng, Qiqi; Wu, Jianhui; Zhao, Shurui; Wu, Wei; Peng, Shiqi

    2015-01-01

    Low selectivity of chemotherapy correlates with poor outcomes of cancer patients. To improve this issue, a novel agent, N-(1-[3-methoxycarbonyl-4-hydroxyphenyl]-β-carboline-3-carbonyl)-Trp-Lys-OBzl (PZL318), was reported here. The transmission electron microscopy, scanning electron microscopy, and atomic force microscopy images demonstrated that PZL318 can form nanoparticles. Fluorescent and confocal images visualized that PZL318 formed fluorescent nanoparticles capable of targeting cancer cells and tracing their interactions with cancer cells. In vitro, 40 μM of PZL318 inhibited the proliferation of tumorigenic cells, but not nontumorigenic cells. In vivo, 10 nmol/kg of PZL318 slowed the tumor growth of S180 mice and alleviated the thrombosis of ferric chloride-treated ICR mice, while 100 μmol/kg of PZL318 did not injure healthy mice and they exhibited no liver toxicity. By analyzing Fourier transform-mass spectrometry and rotating-frame Overhauser spectroscopy (ROESY) two-dimensional nuclear magnetic resonance spectra, the chemical mechanism of PZL318-forming trimers and nanoparticles was explored. By using mesoscale simulation, a nanoparticle of 3.01 nm in diameter was predicted containing 13 trimers. Scavenging free radicals, downregulating sP-selectin expression and intercalating toward DNA were correlated with the antitumor mechanism of PZL318. PMID:26345234

  19. Plant development, auxin, and the subsystem incompleteness theorem.

    PubMed

    Niklas, Karl J; Kutschera, Ulrich

    2012-01-01

    Plant morphogenesis (the process whereby form develops) requires signal cross-talking among all levels of organization to coordinate the operation of metabolic and genomic subsystems operating in a larger network of subsystems. Each subsystem can be rendered as a logic circuit supervising the operation of one or more signal-activated system. This approach simplifies complex morphogenetic phenomena and allows for their aggregation into diagrams of progressively larger networks. This technique is illustrated here by rendering two logic circuits and signal-activated subsystems, one for auxin (IAA) polar/lateral intercellular transport and another for IAA-mediated cell wall loosening. For each of these phenomena, a circuit/subsystem diagram highlights missing components (either in the logic circuit or in the subsystem it supervises) that must be identified experimentally if each of these basic plant phenomena is to be fully understood. We also illustrate the "subsystem incompleteness theorem," which states that no subsystem is operationally self-sufficient. Indeed, a whole-organism perspective is required to understand even the most simple morphogenetic process, because, when isolated, every biological signal-activated subsystem is morphogenetically ineffective. PMID:22645582

  20. Plant Development, Auxin, and the Subsystem Incompleteness Theorem

    PubMed Central

    Niklas, Karl J.; Kutschera, Ulrich

    2012-01-01

    Plant morphogenesis (the process whereby form develops) requires signal cross-talking among all levels of organization to coordinate the operation of metabolic and genomic subsystems operating in a larger network of subsystems. Each subsystem can be rendered as a logic circuit supervising the operation of one or more signal-activated system. This approach simplifies complex morphogenetic phenomena and allows for their aggregation into diagrams of progressively larger networks. This technique is illustrated here by rendering two logic circuits and signal-activated subsystems, one for auxin (IAA) polar/lateral intercellular transport and another for IAA-mediated cell wall loosening. For each of these phenomena, a circuit/subsystem diagram highlights missing components (either in the logic circuit or in the subsystem it supervises) that must be identified experimentally if each of these basic plant phenomena is to be fully understood. We also illustrate the “subsystem incompleteness theorem,” which states that no subsystem is operationally self-sufficient. Indeed, a whole-organism perspective is required to understand even the most simple morphogenetic process, because, when isolated, every biological signal-activated subsystem is morphogenetically ineffective. PMID:22645582

  1. Incomplete and transitory decrease of glycolysis

    PubMed Central

    Schoors, Sandra; Cantelmo, Anna Rita; Georgiadou, Maria; Stapor, Peter; Wang, Xingwu; Quaegebeur, Annelies; Cauwenberghs, Sandra; Wong, Brian W; Bifari, Francesco; Decimo, Ilaria; Schoonjans, Luc; De Bock, Katrien; Dewerchin, Mieke; Carmeliet, Peter

    2014-01-01

    During vessel sprouting, a migratory endothelial tip cell guides the sprout, while proliferating stalk cells elongate the branch. Tip and stalk cell phenotypes are not genetically predetermined fates, but are dynamically interchangeable to ensure that the fittest endothelial cell (EC) leads the vessel sprout. ECs increase glycolysis when forming new blood vessels. Genetic deficiency of the glycolytic activator PFKFB3 in ECs reduces vascular sprouting by impairing migration of tip cells and proliferation of stalk cells. PFKFB3-driven glycolysis promotes the tip cell phenotype during vessel sprouting, since PFKFB3 overexpression overrules the pro-stalk activity of Notch signaling. Furthermore, PFKFB3-deficient ECs cannot compete with wild-type neighbors to form new blood vessels in chimeric mosaic mice. In addition, pharmacological PFKFB3 blockade reduces pathological angiogenesis with modest systemic effects, likely because it decreases glycolysis only partially and transiently. PMID:24335389

  2. FORMATION AND CONTROL OF PRODUCTS OF INCOMPLETE COMBUSTION

    EPA Science Inventory

    Oxygenated organic products of incomplete combustion, including oxygenated PAHs and phthalates, have been found in combustor emissions. Some have substantial health effects and significantly influence the risk assessment calculations. Others are found that may or may not be a...

  3. 40 CFR 86.085-20 - Incomplete vehicles, classification.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... and Heavy-Duty Engines, and for 1985 and Later Model Year New Gasoline Fueled, Natural Gas-Fueled, Liquefied Petroleum Gas-Fueled and Methanol-Fueled Heavy-Duty Vehicles § 86.085-20 Incomplete...

  4. Incomplete-data CT image reconstructions in industrial applications

    NASA Astrophysics Data System (ADS)

    Tam, K. C.; Eberhard, J. W.; Mitchell, K. W.

    1990-06-01

    In industrial X-ray computerized tomography (CT), the objects to be inspected are usually very attenuating to X-rays, and their shape may not permit complete scannings at all view angles; incomplete-data imaging situations usually result. Image reconstruction from incomplete data can be achieved through an iterative transform algorithm, which utilizes the a priori information on the object to compensate for the missing data. The results of validating the iterative transform algorithm on experimental data from a cross section of a high-pressure turbine blade made of Ni-based superalloy are reported. From the data set, two kinds of incomplete data situations are simulated: incomplete projection and limited-angle scanning. The results indicate that substantial improvements, both visually and in wall thickness measurements, were brought about in all cases through the use of the iterative transform algorithm.

  5. Systematics for low energy incomplete fusion: Still a puzzle?

    NASA Astrophysics Data System (ADS)

    Yadav, Abhishek; Shuaib, Mohd; Aggarwal, Abhay V.; Sharma, Vijay R.; Bala, Indu; Singh, D. P.; Singh, P. P.; Unnati; Sharma, M. K.; Kumar, R.; Singh, R. P.; Muralithar, S.; Singh, B. P.; Prasad, R.

    2016-05-01

    In order to have a better and clear picture of incomplete fusion reactions at energies ≈4-7MeV/nucleon, the excitation function measurements have been performed for 18O+159Tb system. The experimental data have been analyzed within the framework of compound nucleus decay. The cross-section for xn/pxn-channels are found to be well reproduced by PACE4 predictions, which suggest their production via complete fusion process. However, a significant enhancement in the excitation functions of α-emitting channels has been observed over the theoretical ones, which has been attributed due to the incomplete fusion processes. The incomplete fusion fractions have been deduced at each studied energy and compared with other nearby systems for better insight into the underlying dynamics. The incomplete fusion fraction has been found to be sensitive to the projectile's energy and α-Q-value.

  6. Two-domain MHC class II molecules form stable complexes with myelin basic protein 69-89 peptide that detect and inhibit rat encephalitogenic T cells and treat experimental autoimmune encephalomyelitis.

    PubMed

    Burrows, G G; Bebo, B F; Adlard, K L; Vandenbark, A A; Offner, H

    1998-12-01

    We designed and expressed in bacteria a single-chain two-domain MHC class II molecule capable of binding and forming stable complexes with antigenic peptide. The prototype "beta1alpha1" molecule included the beta1 domain of the rat RT1.B class II molecule covalently linked to the amino terminus of the alpha1 domain. In association with the encephalitogenic myelin basic protein (MBP) 69-89 peptide recognized by Lewis rat T cells, the beta1alpha1/MBP-69-89 complex specifically labeled and inhibited activation of MBP-69-89 reactive T cells in an IL-2-reversible manner. Moreover, this complex both suppressed and treated clinical signs of experimental autoimmune encephalomyelitis and inhibited delayed-type hypersensitivity reactions and lymphocyte proliferation in an Ag-specific manner. These data indicate that the beta1alpha1/MBP-69-89 complex functions as a simplified natural TCR ligand with potent inhibitory activity that does not require additional signaling from the beta2 and alpha2 domains. This new class of small soluble polypeptide may provide a template for designing human homologues useful in detecting and regulating potentially autopathogenic T cells. PMID:9834080

  7. Predictors of Incomplete Optical Colonoscopy Using Computed Tomographic Colonography

    PubMed Central

    Sachdeva, Reetika; Tsai, Salina D.; El Zein, Mohamad H.; Tieu, Alan A.; Abdelgelil, Ahmed; Besharati, Sepideh; Khashab, Mouen A.; Kalloo, Anthony N.; Kumbhari, Vivek

    2016-01-01

    Background/Aims: Optical colonoscopy (OC) is the primary modality for investigation of colonic pathology. Although there is data on demographic factors for incomplete OC, paucity of data exists for anatomic variables that are associated with an incomplete OC. These anatomic variables can be visualized using computed tomographic colonography (CTC). We aim to retrospectively identify variables associated with incomplete OC using CTC and develop a scoring method to predict the outcome of OC. Patients and Methods: In this case–control study, 70 cases (with incomplete OC) and 70 controls (with complete OC) were identified. CTC images of cases and controls were independently reviewed by a single CTC radiologist. Demographic and anatomical parameters were recorded. Data was examined using descriptive linear statistics and multivariate logistic regression model. Results: On analysis, female gender (80% vs 58.6% P = 0.007), prior abdominal/pelvic surgeries (51.4% vs 14.3% P < 0.001), colonic length (187.6 ± 30.0 cm vs 163.8 ± 27.2 cm P < 0.001), and number of flexures (11.4 ± 3.1 vs 8.4 ± 2.9 P < 0.001) increased the risk for incomplete OC. No significant association was observed for increasing age (P = 0.881) and history of severe diverticulosis (P = 0.867) with incomplete OC. A scoring system to predict the outcome of OC is proposed based on CTC findings. Conclusion: Female gender, prior surgery, and increasing colonic length and tortuosity were associated with incomplete OC, whereas increasing age and history of severe diverticulosis were not. These factors may be used in the future to predict those patients who are at risk of incomplete OC. PMID:26831606

  8. Interstellar molecules

    NASA Astrophysics Data System (ADS)

    Smith, D.

    1987-09-01

    Some 70 different molecular species have so far been detected variously in diffuse interstellar clouds, dense interstellar clouds, and circumstellar shells. Only simple (diatomic and triatomic) species exist in diffuse clouds because of the penetration of destructive UV radiations, whereas more complex (polyatomic) molecules survive in dense clouds as a result of the shielding against this UV radiation provided by dust grains. A current list of interstellar molecules is given together with a few other molecular species that have so far been detected only in circumstellar shells. Also listed are those interstellar species that contain rare isotopes of several elements. The gas phase ion chemistry is outlined via which the observed molecules are synthesized, and the process by which enrichment of the rare isotopes occurs in some interstellar molecules is described.

  9. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  10. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  11. Enumerating molecules.

    SciTech Connect

    Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  12. X-ray mapping in heterocyclic design: 17. Crystal and molecular structures of the 'molecule of the month'; and its hydrogenated form

    SciTech Connect

    Rybakov, V. B. Alekseev, R. S.; Kurkin, A. V.; Yurovskaya, M. A.

    2011-01-15

    The structures of 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,4a,5, 9b-hexahydro1H-pyrido[4,3-b]indole trihydrobromide (I) (a = 12.865(4) Angstrom-Sign , b = 14.281(3) Angstrom-Sign , c = 13.553(3) Angstrom-Sign , Z = 4, sp. gr. Pna2{sub 1}) and 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido [4,3-b]indole dihydrobromide (II) (a = 13.9704(14) Angstrom-Sign , b = 14.4447(15) Angstrom-Sign , c = 10.7819(12) Angstrom-Sign , {beta} = 107.58(1) Degree-Sign , Z = 4, sp. gr. P2{sub 1}/c) were studied by single-crystal X-ray diffraction. The structures were solved by direct methods and refined by the full-matrix least-squares method with anisotropic displacement parameters to the R factors of 0.0603 and 0.0446, respectively. All Br{sup -} anions form hydrogen bonds with protonated nitrogen atoms. The synthesis and physicochemical parameters of these two compounds are reported.

  13. Evidence of Incomplete Left Ventricular Relaxation in the Dog

    PubMed Central

    Weisfeldt, Myron L.; Frederiksen, James W.; Yin, Frank C. P.; Weiss, James L.

    1978-01-01

    Although it has been proposed that incomplete relaxation explains certain increases in left ventricular end diastolic pressure relative to volume, there has been no clear demonstration that incomplete relaxation occurs in the intact working ventricle. To identify incomplete relaxation, left ventricular pressure-dimension relationships were studied in 10 canine right heart bypass preparations during ventricular pacing. The fully relaxed, exponential diastolic pressure-dimension line for each ventricle was first determined from pressure and dimension values at the end of prolonged diastoles after interruption of pacing. For 167 beats during pacing under widely varying hemodynamic conditions, diastolic pressure-dimension values encountered this line defining the fully relaxed state during the filling period indicating that relaxation was complete before end diastole. The time constant for isovolumic exponential pressure fall (T) was determined for all beats. For this exponential function, if no diastolic filling occurred, 97% of pressure fall would be complete by 3.5 T after maximal negative dP/dt. For the 167 beats the fully relaxed pressure-dimension line was always encountered before 3.5 T. With very rapid pacing rates (170-200 beats/min) and(or) with pharmacologic prolongation of relaxation, incomplete relaxation occurred as evidenced by the fact that the line defining the fully relaxed state was never reached during diastole (n = 15). This evidence of incomplete relaxation occurred only when the subsequent beat began before 3.5 T but did not always occur under these conditions. Thus, an increase in end diastolic pressure relative to diastolic volume may result from incomplete relaxation under conditions of sufficiently rapid heart rate or sufficiently prolonged ventricular relaxation. Incomplete relaxation does not occur when the next beat begins more than 3.5 T after maximum negative dP/dt. PMID:748380

  14. High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine.

    PubMed

    Safonova, Tatyana N; Mikhailov, Sergey N; Veiko, Vladimir P; Mordkovich, Nadezhda N; Manuvera, Valentin A; Alekseev, Cyril S; Kovalchuk, Mikhail V; Popov, Vladimir O; Polyakov, Konstantin M

    2014-12-01

    Uridine phosphorylase (UP; EC 2.4.2.3), a key enzyme in the pyrimidine-salvage pathway, catalyzes the reversible phosphorolysis of uridine to uracil and ribose 1-phosphate. Expression of UP from Shewanella oneidensis MR-1 (SoUP) was performed in Escherichia coli. The high-resolution X-ray structure of SoUP was solved in the free form and in complex with uridine. A crystal of SoUP in the free form was grown under microgravity and diffracted to ultrahigh resolution. Both forms of SoUP contained sulfate instead of phosphate in the active site owing to the presence of ammonium sulfate in the crystallization solution. The latter can be considered as a good mimic of phosphate. In the complex, uridine adopts a high-syn conformation with a nearly planar ribose ring and is present only in one subunit of the hexamer. A comparison of the structures of SoUP in the free form and in complex with the natural substrate uridine showed that the subunits of the hexamer are not identical, with the active sites having either an open or a closed conformation. In the monomers with the closed conformation, the active sites in which uridine is absent contain a glycerol molecule mimicking the ribose moiety of uridine. PMID:25478848

  15. Ultra-cold molecule production.

    SciTech Connect

    Ramirez-Serrano, Jamie; Chandler, David W.; Strecker, Kevin; Rahn, Larry A.

    2005-12-01

    The production of Ultra-cold molecules is a goal of many laboratories through out the world. Here we are pursuing a unique technique that utilizes the kinematics of atomic and molecular collisions to achieve the goal of producing substantial numbers of sub Kelvin molecules confined in a trap. Here a trap is defined as an apparatus that spatially localizes, in a known location in the laboratory, a sample of molecules whose temperature is below one degree absolute Kelvin. Further, the storage time for the molecules must be sufficient to measure and possibly further cool the molecules. We utilize a technique unique to Sandia to form cold molecules from near mass degenerate collisions between atoms and molecules. This report describes the progress we have made using this novel technique and the further progress towards trapping molecules we have cooled.

  16. Incomplete caries removal: a systematic review and meta-analysis.

    PubMed

    Schwendicke, F; Dörfer, C E; Paris, S

    2013-04-01

    Increasing numbers of clinical trials have demonstrated the benefits of incomplete caries removal, in particular in the treatment of deep caries. This study systematically reviewed randomized controlled trials investigating one- or two-step incomplete compared with complete caries removal. Studies treating primary and permanent teeth with primary caries lesions requiring a restoration were analyzed. The following primary and secondary outcomes were investigated: risk of pulpal exposure, post-operative pulpal symptoms, overall failure, and caries progression. Electronic databases were screened for studies from 1967 to 2012. Cross-referencing was used to identify further articles. Odds ratios (OR) as effect estimates were calculated in a random-effects model. From 364 screened articles, 10 studies representing 1,257 patients were included. Meta-analysis showed risk reduction for both pulpal exposure (OR [95% CI] 0.31 [0.19-0.49]) and pulpal symptoms (OR 0.58 [0.31-1.10]) for teeth treated with one- or two-step incomplete excavation. Risk of failure seemed to be similar for both complete and incomplete excavation, but data for this outcome were of limited quality and inconclusive (OR 0.97 [0.64-1.46]). Based on reviewed studies, incomplete caries removal seems advantageous compared with complete excavation, especially in proximity to the pulp. However, evidence levels are currently insufficient for definitive conclusions because of high risk of bias within studies. PMID:23396521

  17. Observation of incomplete fusion reactions at l < l {sub crit}

    SciTech Connect

    Yadav, Abhishek Sharma, Vijay R. Singh, Devendra P. Unnati,; Singh, B. P.; Prasad, R.; Singh, Pushpendra P.; Bala, Indu; Kumar, R.; Muralithar, S.; Singh, R. P.; Sharma, M. K.

    2014-08-14

    In order to understand the presence of incomplete fusion at low energies i.e. 4-7MeV/nucleon and also to study its dependence on various entrance-channel parameters, the two type of measurements (i) excitation function for {sup 12}C+{sup 159}Tb, and (ii) forward recoil ranges for {sup 12}C+{sup 159}Tb systems have been performed. The experimentally measured excitation functions have been analyzed within the framework of compound nucleus decay using statistical model code PACE4. Analysis of data suggests the production of xn/px)n-channels via complete fusion, as these are found to be well reproduced by PACE4 predictions, while, a significant enhancement in the excitation functions of α-emitting channels has been observed over the theoretical ones, which has been attributed due to the incomplete fusion processes. Further, the incomplete fusion events observed in case of forward recoil range measurements have been explained on the basis of the breakup fusion model, where these events may be attributed to the fusion of {sup 8}Be and/or {sup 4}He from {sup 12}C projectile to the target nucleus. In the present work, the SUMRULE model calculations are found to highly underestimate the observed incomplete fusion cross-sections which indicate that the l-values lower than l {sub crit} (limit of complete fusion) significantly contribute to the incomplete fusion reactions.

  18. Handling incomplete smoking history data in survival analysis.

    PubMed

    Furukawa, Kyoji; Preston, Dale L; Misumi, Munechika; Cullings, Harry M

    2014-10-26

    While data are unavoidably missing or incomplete in most observational studies, consequences of mishandling such incompleteness in analysis are often overlooked. When time-varying information is collected irregularly and infrequently over a long period, even precisely obtained data may implicitly involve substantial incompleteness. Motivated by an analysis to quantitatively evaluate the effects of smoking and radiation on lung cancer risks among Japanese atomic-bomb survivors, we provide a unique application of multiple imputation to incompletely observed smoking histories under the assumption of missing at random. Predicting missing values for the age of smoking initiation and, given initiation, smoking intensity and cessation age, analyses can be based on complete, though partially imputed, smoking histories. A simulation study shows that multiple imputation appropriately conditioned on the outcome and other relevant variables can produce consistent estimates when data are missing at random. Our approach is particularly appealing in large cohort studies where a considerable amount of time-varying information is incomplete under a mechanism depending in a complex manner on other variables. In application to the motivating example, this approach is expected to reduce estimation bias that might be unavoidable in naive analyses, while keeping efficiency by retaining known information. PMID:25348676

  19. Comparison of nested factorization, constrained pressure residual, and incomplete factorization preconditionings

    SciTech Connect

    Behie, A.

    1985-02-01

    Two recently developed methods for the solution of the sparse block-banded linear equation sets generated by fully implicit reservoir simulators are investigated. Nested factorization is a new approach to forming an incomplete factorization of the linear system. Comparisons are made of the nested factorization approach and the incomplete LU factorization (ILU) approach. Tests are done on both model problems and on problems generated by reservoir simulators. The nested factorization was no better than the best ILU method on both types of problems in most cases. In some cases it was considerably worse. Constrained pressure residual preconditioning (CPR) is a variant of the COMBINATIVE method. These two methods are compared on problems generated by black oil and steam simulators. CPR gives small improvements in convergence rates in some cases.

  20. Modal parameters of two incomplete and complete guitars differing in the bracing pattern of the soundboard.

    PubMed

    Skrodzka, Ewa; Łapa, Andrzej; Linde, Bogumił B J; Rosenfeld, Eike

    2011-10-01

    Similarities and differences in vibrational behavior of two guitars having a symmetric Torres bracing pattern and an asymmetric pattern forming a lattice on a soundboard are investigated by means of the modal analysis technique and laser Doppler vibrometry (LDV) measurements. Instruments are investigated before and after a bridge and strings assembling (i.e., they are incomplete or complete). The bracing pattern and the absence/presence of the bridge and strings have some effect on modal frequencies and mode shapes. The bracing pattern does not affect the sequence of at least first three low frequency mode shapes of incomplete/complete instruments but affects their modal frequencies. Depending on frequency, the bridge behaves either as a rigid or a flexible structure. PMID:21973373

  1. A novel method to assess incompleteness of mammography reports.

    PubMed

    Gimenez, Francisco J; Wu, Yirong; Burnside, Elizabeth S; Rubin, Daniel L

    2014-01-01

    Mammography has been shown to improve outcomes of women with breast cancer, but it is subject to inter-reader variability. One well-documented source of such variability is in the content of mammography reports. The mammography report is of crucial importance, since it documents the radiologist's imaging observations, interpretation of those observations in terms of likelihood of malignancy, and suggested patient management. In this paper, we define an incompleteness score to measure how incomplete the information content is in the mammography report and provide an algorithm to calculate this metric. We then show that the incompleteness score can be used to predict errors in interpretation. This method has 82.6% accuracy at predicting errors in interpretation and can possibly reduce total diagnostic errors by up to 21.7%. Such a method can easily be modified to suit other domains that depend on quality reporting. PMID:25954448

  2. A Novel Method to Assess Incompleteness of Mammography Reports

    PubMed Central

    Gimenez, Francisco J.; Wu, Yirong; Burnside, Elizabeth S.; Rubin, Daniel L.

    2014-01-01

    Mammography has been shown to improve outcomes of women with breast cancer, but it is subject to inter-reader variability. One well-documented source of such variability is in the content of mammography reports. The mammography report is of crucial importance, since it documents the radiologist’s imaging observations, interpretation of those observations in terms of likelihood of malignancy, and suggested patient management. In this paper, we define an incompleteness score to measure how incomplete the information content is in the mammography report and provide an algorithm to calculate this metric. We then show that the incompleteness score can be used to predict errors in interpretation. This method has 82.6% accuracy at predicting errors in interpretation and can possibly reduce total diagnostic errors by up to 21.7%. Such a method can easily be modified to suit other domains that depend on quality reporting. PMID:25954448

  3. Incomplete fuzzy data processing systems using artificial neural network

    NASA Technical Reports Server (NTRS)

    Patyra, Marek J.

    1992-01-01

    In this paper, the implementation of a fuzzy data processing system using an artificial neural network (ANN) is discussed. The binary representation of fuzzy data is assumed, where the universe of discourse is decartelized into n equal intervals. The value of a membership function is represented by a binary number. It is proposed that incomplete fuzzy data processing be performed in two stages. The first stage performs the 'retrieval' of incomplete fuzzy data, and the second stage performs the desired operation on the retrieval data. The method of incomplete fuzzy data retrieval is proposed based on the linear approximation of missing values of the membership function. The ANN implementation of the proposed system is presented. The system was computationally verified and showed a relatively small total error.

  4. Incomplete defect filling after third generation autologous chondrocyte implantation

    PubMed Central

    Pietschmann, Matthias F.; Ficklscherer, Andreas; Gülecyüz, Mehmet F.; Hammerschmid, Florian; Müller, Peter E.

    2016-01-01

    Introduction Third generation autologous chondrocyte implantation (ACI) is a suitable method for the treatment of cartilage defects in the knee joint. However, knowledge about the development of graft thickness and the clinical relevance of incomplete defect filling in the postoperative course is low. This prospective study analyses the graft integration into the surrounding cartilage, with special consideration of the graft thickness. Material and methods A total of 71 consecutive patients with 79 cartilage defects were treated with third generation autologous chondrocyte implantation (NOVOCART 3D) in the knee. Follow-up magnetic resonance imaging (MRI) was performed at 0.25, 0.5, 1 and 2 years. Graft thickness was measured compared to the surrounding healthy cartilage. The International Knee Documentation Committee (IKDC) scoring system and the visual analogue scale (VAS) were used for clinical evaluation. Cartilage defect filling was classified as the percentage of the surrounding cartilage. Results The average graft thickness showed a significant increase between 3 and 6 months after autologous chondrocyte implantation. Incomplete defect filling occurred in 44 (55.7%) cases. Of these, 33 cases showed incomplete defect filling grade I (> 75%), 10 cases were grade II (> 50%) and one case grade III (> 25%). Incomplete defect filling grade IV (< 25%) was not observed. Incomplete defect filling occurred significantly more often in women (p = 0.021), without worse clinical results. Conclusions Graft thickness after third generation autologous chondrocyte implantation shows increasing graft thickness over the period of 2 years postoperatively. A high rate of incomplete defect filling in the surrounding cartilage was observed, without worse clinical results. PMID:27478460

  5. Low Complexity Models to improve Incomplete Sensitivities for Shape Optimization

    NASA Astrophysics Data System (ADS)

    Stanciu, Mugurel; Mohammadi, Bijan; Moreau, Stéphane

    2003-01-01

    The present global platform for simulation and design of multi-model configurations treat shape optimization problems in aerodynamics. Flow solvers are coupled with optimization algorithms based on CAD-free and CAD-connected frameworks. Newton methods together with incomplete expressions of gradients are used. Such incomplete sensitivities are improved using reduced models based on physical assumptions. The validity and the application of this approach in real-life problems are presented. The numerical examples concern shape optimization for an airfoil, a business jet and a car engine cooling axial fan.

  6. Effect of the Target Deformation on Incomplete Fusion Dynamics

    NASA Astrophysics Data System (ADS)

    Singh, D.; Ali, Rahbar; Afzal Ansari, M.; Kumar, R.; Singh, R. P.; Muralither, S.; Bhowmik, R. K.

    2015-01-01

    To investigate the role of target deformation on incomplete fusion dynamics, a particle-gamma coincidence experiment has been performed at Inter University Accelerator Centre, New Delhi. Spin distributions for various evaporation residues populated via complete and incomplete fusion of 16O with 124Sn at 6.3MeV/nucleon have been measured. Experimentally measured spin distributions of the residues produced as incomplete fusion products associated with fast α and 2α-emission channels observed in forward cone are found to be distinctly different from those of the residues produced as complete fusion products. The mean value of input angular momentum J0 for evaporation residues produced through xn channels (complete fusion products) is found to be J0≈ 7ħ, while the mean value of input angular momentum J0 for the residues produced through direct αxn and 2αxn channels (incomplete fusion products) in forward cone, are found to be J0 ≈ 9ħ and ≈ 12ħ respectively for 16O + 124Sn (spherical) system [7]. The mean value of input angular momentum J0 for the system 16O + 169Tm (deformed) reported in ref. [8], are found to be ≈10ħ for xn-channels (complete fusion products) and for direct αxn and 2αxn channels (incomplete fusion products) the value of J0 approaches to ≈ 13ħ and ≈16ħ, respectively. The mean values of the input angular momentum observed for xn (complete fusion products), αxn and 2αxn (incomplete fusion products) in 16O + 124Sn (spherical) system are smaller than that of the mean values of the input angular momentum observed for xn (complete fusion products), αxn and 2αxn (incomplete fusion products) in 16O + 169Tm (deformed) system. The comparison of data inferred that the mean values of the input angular momentum are smaller in case of spherical target than that of deformed target at same projectile energy of 16O-ion beam. It means that the target deformation affect the incomplete fusion dynamics.

  7. Vulvar myiasis following suction and evacuation for incomplete abortion.

    PubMed

    Singh, Anju; Goel, Bharti; Rani, Shikha

    2015-07-01

    Myiasis is caused by fly larva capable of penetrating healthy or necrotic tissue, usually in tropical and subtropical countries. The involvement of an exposed area is common; however it may very rarely involve the genital region. We present a rare case of vulvar myiasis which occurred after suction and evacuation performed for incomplete abortion. PMID:25740831

  8. Limit Pricing with Incomplete Information: Answers to Frequently Asked Questions

    ERIC Educational Resources Information Center

    Sorenson, Timothy L.

    2004-01-01

    Strategic pricing is an important and exciting topic in industrial organization and the economics of strategy. A wide range of texts use what has become a standard version of the Milgrom and Roberts (1982a) limit-pricing model to convey the essential ideas of strategic pricing under incomplete information. In addition to providing a formal, but…

  9. An Interactive Approach to Analyzing Incomplete Multivariate Data.

    ERIC Educational Resources Information Center

    Raymond, Mark R.

    This paper examines some of the problems that arise when conducting multivariate analyses with incomplete data. The literature on the effectiveness of several missing data procedures (MDP) is summarized. The most widely used MDPs are: (1) listwise deletion; (2) pairwise deletion; (3) variable mean; (4) correlational methods. No MDP should be used…

  10. Computer Simulation of Incomplete-Data Interpretation Exercise.

    ERIC Educational Resources Information Center

    Robertson, Douglas Frederick

    1987-01-01

    Described is a computer simulation that was used to help general education students enrolled in a large introductory geology course. The purpose of the simulation is to learn to interpret incomplete data. Students design a plan to collect bathymetric data for an area of the ocean. Procedures used by the students and instructor are included.…

  11. 49 CFR 529.4 - Requirements for incomplete automobile manufacturers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... determined by the incomplete automobile manufacturer for the automobile in accordance with 40 CFR part 600... economy label specified in paragaph (b)(2) of this section to that automobile in accordance with 40 CFR... take into account the presence of air conditioning. (2) A fuel economy label conforming with 40...

  12. 49 CFR 529.4 - Requirements for incomplete automobile manufacturers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... determined by the incomplete automobile manufacturer for the automobile in accordance with 40 CFR part 600... economy label specified in paragaph (b)(2) of this section to that automobile in accordance with 40 CFR... take into account the presence of air conditioning. (2) A fuel economy label conforming with 40...

  13. 49 CFR 529.4 - Requirements for incomplete automobile manufacturers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... determined by the incomplete automobile manufacturer for the automobile in accordance with 40 CFR part 600... economy label specified in paragaph (b)(2) of this section to that automobile in accordance with 40 CFR... take into account the presence of air conditioning. (2) A fuel economy label conforming with 40...

  14. 49 CFR 529.4 - Requirements for incomplete automobile manufacturers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... determined by the incomplete automobile manufacturer for the automobile in accordance with 40 CFR part 600... economy label specified in paragaph (b)(2) of this section to that automobile in accordance with 40 CFR... take into account the presence of air conditioning. (2) A fuel economy label conforming with 40...

  15. 49 CFR 529.4 - Requirements for incomplete automobile manufacturers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... determined by the incomplete automobile manufacturer for the automobile in accordance with 40 CFR part 600... economy label specified in paragaph (b)(2) of this section to that automobile in accordance with 40 CFR... take into account the presence of air conditioning. (2) A fuel economy label conforming with 40...

  16. 49 CFR 568.4 - Requirements for incomplete vehicle manufacturers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...) Listing of the vehicle types as defined in 49 CFR 571.3 (e.g., truck, MPV, bus, trailer) into which the... standards applicable to the vehicle pursuant to 49 CFR 568.4(a)(7). (9) A certification that the statements... STAGES-ALL INCOMPLETE, INTERMEDIATE AND FINAL-STAGE MANUFACTURERS OF VEHICLES MANUFACTURED IN TWO OR...

  17. 49 CFR 568.4 - Requirements for incomplete vehicle manufacturers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...) Listing of the vehicle types as defined in 49 CFR 571.3 (e.g., truck, MPV, bus, trailer) into which the... standards applicable to the vehicle pursuant to 49 CFR 568.4(a)(7). (9) A certification that the statements... STAGES-ALL INCOMPLETE, INTERMEDIATE AND FINAL-STAGE MANUFACTURERS OF VEHICLES MANUFACTURED IN TWO OR...

  18. 49 CFR 568.4 - Requirements for incomplete vehicle manufacturers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...) Listing of the vehicle types as defined in 49 CFR 571.3 (e.g., truck, MPV, bus, trailer) into which the... standards applicable to the vehicle pursuant to 49 CFR 568.4(a)(7). (9) A certification that the statements... STAGES-ALL INCOMPLETE, INTERMEDIATE AND FINAL-STAGE MANUFACTURERS OF VEHICLES MANUFACTURED IN TWO OR...

  19. 49 CFR 568.4 - Requirements for incomplete vehicle manufacturers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...) Listing of the vehicle types as defined in 49 CFR 571.3 (e.g., truck, MPV, bus, trailer) into which the... standards applicable to the vehicle pursuant to 49 CFR 568.4(a)(7). (9) A certification that the statements... STAGES-ALL INCOMPLETE, INTERMEDIATE AND FINAL-STAGE MANUFACTURERS OF VEHICLES MANUFACTURED IN TWO OR...

  20. 19 CFR 122.74 - Incomplete (pro forma) manifest.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...; Electronic Manifest Requirements for Passengers, Crew Members, and Non-Crew Members Onboard Commercial Aircraft Departing From the United States § 122.74 Incomplete (pro forma) manifest. (a) Application—(1) Shipments to foreign countries. Except for aircraft bound for foreign locations referred to in paragraph...

  1. 19 CFR 122.74 - Incomplete (pro forma) manifest.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...; Electronic Manifest Requirements for Passengers, Crew Members, and Non-Crew Members Onboard Commercial Aircraft Departing From the United States § 122.74 Incomplete (pro forma) manifest. (a) Application—(1) Shipments to foreign countries. Except for aircraft bound for foreign locations referred to in paragraph...

  2. 19 CFR 122.74 - Incomplete (pro forma) manifest.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...; Electronic Manifest Requirements for Passengers, Crew Members, and Non-Crew Members Onboard Commercial Aircraft Departing From the United States § 122.74 Incomplete (pro forma) manifest. (a) Application—(1) Shipments to foreign countries. Except for aircraft bound for foreign locations referred to in paragraph...

  3. 19 CFR 122.74 - Incomplete (pro forma) manifest.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...; Electronic Manifest Requirements for Passengers, Crew Members, and Non-Crew Members Onboard Commercial Aircraft Departing From the United States § 122.74 Incomplete (pro forma) manifest. (a) Application—(1) Shipments to foreign countries. Except for aircraft bound for foreign locations referred to in paragraph...

  4. Root cause of incomplete control rod insertions at Westinghouse reactors

    SciTech Connect

    Ray, S.

    1997-01-01

    Within the past year, incomplete RCCA insertions have been observed on high burnup fuel assemblies at two Westinghouse PWRs. Initial tests at the Wolf Creek site indicated that the direct cause of the incomplete insertions observed at Wolf Creek was excessive fuel assembly thimble tube distortion. Westinghouse committed to the NRC to perform a root cause analysis by the end of August, 1996. The root cause analysis process used by Westinghouse included testing at ten sites to obtain drag, growth and other characteristics of high burnup fuel assemblies. It also included testing at the Westinghouse hot cell of two of the Wolf Creek incomplete insertion assemblies. A mechanical model was developed to calculate the response of fuel assemblies when subjected to compressive loads. Detailed manufacturing reviews were conducted to determine if this was a manufacturing related issue. In addition, a review of available worldwide experience was performed. Based on the above, it was concluded that the thimble tube distortion observed on the Wolf Creek incomplete insertion assemblies was caused by unusual fuel assembly growth over and above what would typically be expected as a result of irradiation exposure. It was determined that the unusual growth component is a combination of growth due to oxide accumulation and accelerated growth, and would only be expected in high temperature plants on fuel assemblies that see long residence times and high power duties.

  5. 10 CFR 782.7 - Incomplete notice of infringement.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Energy DEPARTMENT OF ENERGY CLAIMS FOR PATENT AND COPYRIGHT INFRINGEMENT Requirements and Procedures § 782.7 Incomplete notice of infringement. (a) If a communication alleging patent or copyright infringement is received that does not meet the requirements set forth above in § 782.5, the sender shall...

  6. Incomplete Closure of the Left Atrial Appendage: Implication and Management.

    PubMed

    Aryana, Arash; d'Avila, André

    2016-09-01

    Incomplete left atrial appendage closure (LAAC) occurs in ∼30-40 % of cases following both surgical and percutaneous closure methods. Incomplete surgical LAAC may further be classified as incompletely surgically ligated LAA (ISLL) or LAA stump. ISLL is associated with a significantly increased risk of thrombus formation/thromboembolism. Moreover, this risk is highest in the absence of oral anticoagulation (OAC) and inversely correlates with the size of the ISLL neck. Not only routine screening for ISLL seems critical, but also long-term OAC should strongly be considered in this high-risk cohort. Alternatively, complete endocardial occlusion using a surrogate method may represent a reasonable option, particularly in those intolerant to long-term OAC therapy. Although thrombus formation/thromboembolic events have also been described in patients with incomplete LAAC following percutaneous occlusion, an association between the two remains less clear. However, given the rise and growing interest in percutaneous LAAC methods, additional research in this area is clearly warranted. PMID:27443378

  7. 40 CFR 86.085-20 - Incomplete vehicles, classification.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ..., classification. For purposes of this part: (a) A heavy-duty gasoline-fueled vehicle is considered to be a complete vehicle if it has the primary load carrying device or container attached at the time the vehicle leaves the control of the manufacturer of the engine, and is considered to be an incomplete vehicle if...

  8. Gender under Incomplete Acquisition: Heritage Speakers' Knowledge of Noun Categorization

    ERIC Educational Resources Information Center

    Polinsky, Maria

    2008-01-01

    The author discusses a study of gender assignment (noun categorization) in heritage Russian and presents issues in the methodology of heritage language study. To anticipate the conclusions of this article, the gender assignment data presented argue for the systematicity of what emerges under incomplete acquisition. The system is different from its…

  9. A qualitative model for temporal reasoning with incomplete information

    SciTech Connect

    Geffner, H.

    1996-12-31

    We develop a qualitative framework for temporal reasoning with incomplete information that features a modeling language based on rules and a semantics based on infinitesimal probabilities. The framework relates logical and probabilistical models, and accommodates in a natural way features that have been found problematic in other models like non-determinism, action qualifications, parallel actions, and abduction to actions and fluents.

  10. Incomplete activation of peripheral blood dendritic cells during healthy human pregnancy.

    PubMed

    Della Bella, S; Giannelli, S; Cozzi, V; Signorelli, V; Cappelletti, M; Cetin, I; Villa, M L

    2011-05-01

    Successful pregnancy relies on the adaptation of immune responses that allow the fetus to grow and develop in the uterus despite being recognized by maternal immune cells. Dendritic cells (DCs) are central to the control of immune tolerance, and their state of activation at the maternal-decidual interface is critical to the feto-maternal immunological equilibrium. So far, the involvement of circulating DCs has been investigated poorly. Therefore, in this study we investigated whether, during healthy human pregnancy, peripheral blood DCs (PBDCs) undergo changes that may be relevant to the adaptation of maternal immune responses that allow fetal tolerance. In a cross-sectional study, we analysed PBDCs by six-colour flow cytometry on whole blood samples from 47 women during healthy pregnancy progression and 24 non-pregnant controls. We demonstrated that both myeloid and plasmacytoid PBDCs undergo a state of incomplete activation, more evident in the third trimester, characterized by increased expression of co-stimulatory molecules and cytokine production but lacking human leucocyte antigen (HLA)-DR up-regulation. To investigate the contribution of soluble circulating factors to this phenomenon, we also performed culture experiments showing that sera from pregnant women added to control DCs conditioned a similar incomplete activation that was associated with reduced DC allostimulatory capacity, supporting the in vivo relevance of our findings. We also obtained evidence that the glycoprotein hormone activin-A may contribute to DC incomplete activation. We suggest that the changes of PBDCs occurring during late pregnancy may aid the comprehension of the immune mechanisms operated by the maternal immune system to maintain fetal tolerance. PMID:21352205

  11. Molecules on ice

    SciTech Connect

    Clary, D.C.

    1996-03-15

    The ozone hole that forms in the spring months over the Antarctic is thought to be produced through a network of chemical reactions catalyzed by the surfaces of ice crystals in polar stratospheric clouds (PSCs). A reaction between chlorine reservoir molecules, such as HCl + ClONO{sub 2} > HNO{sub 3} + Cl{sub 2}, is kinetically forbidden in the gas phase but proceeds quickly on the surface of ice and produces Cl{sub 2} molecules that are photodissociated by sunlight to yield the Cl atoms that destroy ozone. This destructive chain of events begins when HCl molecules stick to the ice crystals, and the mechanism for this crucial sticking process has been the subject of much debate. Recent work describes a mechanism that explains how HCl sticks to ice. This article goes on to detail research focusing surface reactions in stratospheric chemistry. 9 refs., 1 fig.

  12. Molecules in η Carinae

    NASA Astrophysics Data System (ADS)

    Loinard, Laurent; Menten, Karl M.; Güsten, Rolf; Zapata, Luis A.; Rodríguez, Luis F.

    2012-04-01

    We report the detection toward η Carinae of six new molecules, CO, CN, HCO+, HCN, HNC, and N2H+, and of two of their less abundant isotopic counterparts, 13CO and H13CN. The line profiles are moderately broad (~100 km s-1), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO+ do not appear to be underabundant in η Carinae. On the other hand, molecules containing nitrogen or the 13C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of η Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  13. MOLECULES IN {eta} CARINAE

    SciTech Connect

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf; Zapata, Luis A.; Rodriguez, Luis F.

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  14. Positron binding to molecules

    NASA Astrophysics Data System (ADS)

    Danielson, J. R.

    2011-05-01

    While there is theoretical evidence that positrons can bind to atoms, calculations for molecules are much less precise. Unfortunately, there have been no measurements of positron-atom binding, due primarily to the difficulty in forming positron-atom bound states in two-body collisions. In contrast, positrons attach to molecules via Feshbach resonances (VFR) in which a vibrational mode absorbs the excess energy. Using a high-resolution positron beam, this VFR process has been studied to measure binding energies for more than 40 molecules. New measurements will be described in two areas: positron binding to relatively simple molecules, for which theoretical calculations appear to be possible; and positron binding to molecules with large permanent dipole moments, which can be compared to analogous, weakly bound electron-molecule (negative-ion) states. Binding energies range from 75 meV for CS2 (no dipole moment) to 180 meV for acetonitrile (CH3CN). Other species studied include aldehydes and ketones, which have permanent dipole moments in the range 2.5 - 3.0 debye. The measured binding energies are surprisingly large (by a factor of 10 to 100) compared to those for the analogous negative ions, and these differences will be discussed. New theoretical calculations for positron-molecule binding are in progress, and a recent result for acetonitrile will be discussed. This ability to compare theory and experiment represents a significant step in attempts to understand positron binding to matter. In collaboration with A. C. L. Jones, J. J. Gosselin, and C. M. Surko, and supported by NSF grant PHY 07-55809.

  15. Local recurrence of a parosteal osteosarcoma 21 years after incomplete resection

    PubMed Central

    Combalia, Andrés; Muñoz-Mahamud, Ernesto; Palacín, Antonio; Pomés, Jaume; López, Vicente

    2011-01-01

    Parosteal osteosarcoma (POS) is the most common form of surface osteosarcoma. Its symptoms are insidious and its duration prior to diagnosis is considerably longer than that of other types of osteosarcoma. We report a case of POS with a growing mass but no evidence of metastasis. This tumor, which was diagnosed as calcified hematoma with benign characteristics, was incompletely resected in our hospital 21 years before the diagnosis of recurrence. The patient underwent a wide en bloc resection in our hospital and was free of symptoms, with no signs of tumor recurrence or metastasis during a 53-month follow-up. PMID:22059909

  16. Treatment Strategy after Incomplete Endoscopic Resection of Early Gastric Cancer

    PubMed Central

    Kim, Sang Gyun

    2016-01-01

    Endoscopic resection of early gastric cancer is defined as incomplete when tumor cells are found at the resection margin upon histopathological examination. However, a tumor-positive resection margin does not always indicate residual tumor; it can also be caused by tissue contraction during fixation, by the cautery effect during endoscopic resection, or by incorrect histopathological mapping. Cases of highly suspicious residual tumor require additional endoscopic or surgical resection. For inoperable patients, argon plasma coagulation can be used as an alternative endoscopic treatment. Immediately after the incomplete resection or residual tumor has been confirmed by the pathologist, clinicians should also decide upon any additional treatment to be carried out during the follow-up period. PMID:27435699

  17. Investigations on the Incompletely Developed Plane Diagonal-Tension Field

    NASA Technical Reports Server (NTRS)

    Kuhn, Paul

    1940-01-01

    This report presents the results of an investigation on the incompletely developed diagonal-tension field. Actual diagonal-tension beams work in an intermediate stage between pure shear and pure diagonal tension; the theory developed by wagner for diagonal tension is not directly applicable. The first part of the paper reviews the most essential items of the theory of pure diagonal tension as well as previous attempts to formulate a theory of incomplete diagonal tension. The second part of the paper describes strain measurement made by the N. A. C. A. to obtain the necessary coefficients for the proposed theory. The third part of the paper discusses the stress analysis of diagonal-tension beams by means of the proposed theory.

  18. Treatment Strategy after Incomplete Endoscopic Resection of Early Gastric Cancer.

    PubMed

    Kim, Sang Gyun

    2016-07-01

    Endoscopic resection of early gastric cancer is defined as incomplete when tumor cells are found at the resection margin upon histopathological examination. However, a tumor-positive resection margin does not always indicate residual tumor; it can also be caused by tissue contraction during fixation, by the cautery effect during endoscopic resection, or by incorrect histopathological mapping. Cases of highly suspicious residual tumor require additional endoscopic or surgical resection. For inoperable patients, argon plasma coagulation can be used as an alternative endoscopic treatment. Immediately after the incomplete resection or residual tumor has been confirmed by the pathologist, clinicians should also decide upon any additional treatment to be carried out during the follow-up period. PMID:27435699

  19. Bayesian Inference of Natural Rankings in Incomplete Competition Networks

    PubMed Central

    Park, Juyong; Yook, Soon-Hyung

    2014-01-01

    Competition between a complex system's constituents and a corresponding reward mechanism based on it have profound influence on the functioning, stability, and evolution of the system. But determining the dominance hierarchy or ranking among the constituent parts from the strongest to the weakest – essential in determining reward and penalty – is frequently an ambiguous task due to the incomplete (partially filled) nature of competition networks. Here we introduce the “Natural Ranking,” an unambiguous ranking method applicable to a round robin tournament, and formulate an analytical model based on the Bayesian formula for inferring the expected mean and error of the natural ranking of nodes from an incomplete network. We investigate its potential and uses in resolving important issues of ranking by applying it to real-world competition networks. PMID:25163528

  20. Quantum Stackelberg Duopoly with Continuous Distributed Incomplete Information

    NASA Astrophysics Data System (ADS)

    Wang, Xia; Hu, Cheng-Zheng

    2012-12-01

    A general model of the quantum Stackelberg duopoly is constructed by introducing the “minimal" quantum structure into the Stackelberg duopoly with continuous distributed incomplete information, where both players only know the continuous distribution of the competitor's unit cost. In this model, the cases with complete information, discrete distributed incomplete information, and continuous distributed asymmetric information are all involved. Because of different roles played by the total information uncertainty and the information asymmetry, the game exhibits some new interesting features, such as the total information uncertainty can counteract or improve the first-mover advantage according to the value of the quantum entanglement. What's more, this general model will be helpful for the government to reduce the abuses of oligopolistic competition and to improve the economic efficiency.

  1. Distributed control systems with incomplete and uncertain information

    NASA Astrophysics Data System (ADS)

    Tang, Jingpeng

    Scientific and engineering advances in wireless communication, sensors, propulsion, and other areas are rapidly making it possible to develop unmanned air vehicles (UAVs) with sophisticated capabilities. UAVs have come to the forefront as tools for airborne reconnaissance to search for, detect, and destroy enemy targets in relatively complex environments. They potentially reduce risk to human life, are cost effective, and are superior to manned aircraft for certain types of missions. It is desirable for UAVs to have a high level of intelligent autonomy to carry out mission tasks with little external supervision and control. This raises important issues involving tradeoffs between centralized control and the associated potential to optimize mission plans, and decentralized control with great robustness and the potential to adapt to changing conditions. UAV capabilities have been extended several ways through armament (e.g., Hellfire missiles on Predator UAVs), increased endurance and altitude (e.g., Global Hawk), and greater autonomy. Some known barriers to full-scale implementation of UAVs are increased communication and control requirements as well as increased platform and system complexity. One of the key problems is how UAV systems can handle incomplete and uncertain information in dynamic environments. Especially when the system is composed of heterogeneous and distributed UAVs, the overall system complexity is increased under such conditions. Presented through the use of published papers, this dissertation lays the groundwork for the study of methodologies for handling incomplete and uncertain information for distributed control systems. An agent-based simulation framework is built to investigate mathematical approaches (optimization) and emergent intelligence approaches. The first paper provides a mathematical approach for systems of UAVs to handle incomplete and uncertain information. The second paper describes an emergent intelligence approach for UAVs

  2. Abducens nerve palsy in a girl with incomplete Kawasaki disease.

    PubMed

    Emiroglu, Melike; Alkan, Gulsum; Kartal, Ayse; Cimen, Derya

    2016-08-01

    Kawasaki disease (KD) is a systemic vasculitis that can involve the nervous system, including the cranial nerves. Central nervous system findings, especially irritability, lethargy, and aseptic meningitis, occur in 1-30 % of KD patients (1). Cranial nerve palsies are seen rarely, and abducens nerve palsy has been reported in only three children. We describe a 2.5-year-old girl with incomplete KD who developed transient abducens nerve palsy after intravenous immunoglobulin (IVIG) treatment. PMID:27329470

  3. Radiopaque Tagging Masks Caries Lesions following Incomplete Excavation in vitro.

    PubMed

    Schwendicke, F; Meyer-Lueckel, H; Schulz, M; Dörfer, C E; Paris, S

    2014-06-01

    One-step incomplete excavation seals caries-affected dentin under a restoration and appears to be advantageous in the treatment of deep lesions. However, it is impossible to discriminate radiographically between intentionally left, arrested lesions and overlooked or active lesions. This diagnostic uncertainty decreases the acceptance of minimally invasive excavation and might lead to unnecessary re-treatment of incompletely excavated teeth. Radiopaque tagging of sealed lesions might mask arrested lesions and assist in discrimination from progressing lesions. Therefore, we microradiographically screened 4 substances (SnCl2, AgNO3, CsF, CsCH3COO) for their effect on artificial lesions. Since water-dissolved tin chloride (SnCl2×Aq) was found to stably mask artificial lesions, we then investigated its radiographic effects on progressing lesions. Natural lesions were incompletely excavated and radiopaque tagging performed. Grey-value differences (△GV) between sound and carious dentin were determined and radiographs assessed by 20 dentists. While radiographic effects of SnCl2×Aq were stable for non-progressing lesions, they significantly decreased during a second demineralization (p < .001, t test). For natural lesions, tagging with SnCl2×Aq significantly reduced △GV (p < .001, Wilcoxon). Tagged lesions were detected significantly less often than untagged lesions (p < .001). SnCl2×Aq was suitable to mask caries-affected dentin and discriminate between arrested and progressing lesions in vitro. Radiopaque tagging could resolve diagnostic uncertainties associated with incomplete excavation. PMID:24718110

  4. An automatic ordering method for incomplete factorization iterative solvers

    SciTech Connect

    Forsyth, P.A.; Tang, W.P. . Dept. of Computer Science); D'Azevedo, E.F.D. )

    1991-01-01

    The minimum discarded fill (MDF) ordering strategy for incomplete factorization iterative solvers is developed. MDF ordering is demonstrated for several model son-symmetric problems, as well as a water-flooding simulation which uses an unstructured grid. The model problems show a three to five fold decrease in the number of iterations compared to natural orderings. Greater than twofold improvement was observed for the waterflooding simulation. 26 refs., 7 figs., 3 tabs.

  5. Contributions to the theory of incomplete tension bay

    NASA Technical Reports Server (NTRS)

    Schapitz, E

    1937-01-01

    The present report offers an approximate theory for the stress and deformation condition after buckling of the skin in reinforced panels and shells loaded in simple shear and compression and under combined stresses. The theory presents a unified scheme for stresses of these types. It is based upon the concept of a nonuniform stress distribution in the metal panel and its marked power of resistance against compressive stresses ("incomplete" tension bay).

  6. Effects of incomplete adaptation and disturbance in adaptive control.

    NASA Technical Reports Server (NTRS)

    Lindorff, D. P.

    1972-01-01

    In this paper consideration is given to the effects of disturbance and incomplete parameter adaptation on the performance of adaptive control systems in which Liapunov theory is used in deriving the control law. A design equation for the bounded error is derived. It is further shown that parameters in the adaptive controller may not converge in the presence of disturbance unless the input signal has a rich enough frequency constant. Design examples are presented.

  7. Incomplete mixing and reactions in laminar shear flow

    NASA Astrophysics Data System (ADS)

    Paster, A.; Aquino, T.; Bolster, D.

    2015-07-01

    Incomplete mixing of reactive solutes is well known to slow down reaction rates relative to what would be expected from assuming perfect mixing. In purely diffusive systems, for example, it is known that small initial fluctuations in reactant concentrations can lead to reactant segregation, which in the long run can reduce global reaction rates due to poor mixing. In contrast, nonuniform flows can enhance mixing between interacting solutes. Thus, a natural question arises: Can nonuniform flows sufficiently enhance mixing to restrain incomplete mixing effects and, if so, under what conditions? We address this question by considering a specific and simple case, namely, a laminar pure shear reactive flow. Two solution approaches are developed: a Lagrangian random walk method and a semianalytical solution. The results consistently highlight that if shear effects in the system are not sufficiently strong, incomplete mixing effects initially similar to purely diffusive systems will occur, slowing down the overall reaction rate. Then, at some later time, dependent on the strength of the shear, the system will return to behaving as if it were well mixed, but represented by a reduced effective reaction rate.

  8. Incomplete penetrance: The role of stochasticity in developmental cell colonization.

    PubMed

    Binder, Benjamin J; Landman, Kerry A; Newgreen, Donald F; Ross, Joshua V

    2015-09-01

    Cell colonization during embryonic development involves cells migrating and proliferating over growing tissues. Unsuccessful colonization, resulting from genetic causes, can result in various birth defects. However not all individuals with the same mutation show the disease. This is termed incomplete penetrance, and it even extends to discordancy in monozygotic (identical) twins. A one-dimensional agent-based model of cell migration and proliferation within a growing tissue is presented, where the position of every cell is recorded at any time. We develop a new model that approximates this agent-based process - rather than requiring the precise configuration of cells within the tissue, the new model records the total number of cells, the position of the most advanced cell, and then invokes an approximation for how the cells are distributed. The probability mass function (PMF) for the most advanced cell is obtained for both the agent-based model and its approximation. The two PMFs compare extremely well, but using the approximation is computationally faster. Success or failure of colonization is probabilistic. For example for sufficiently high proliferation rate the colonization is assured. However, if the proliferation rate is sufficiently low, there will be a lower, say 50%, chance of success. These results provide insights into the puzzle of incomplete penetrance of a disease phenotype, especially in monozygotic twins. Indeed, stochastic cell behavior (amplified by disease-causing mutations) within the colonization process may play a key role in incomplete penetrance, rather than differences in genes, their expression or environmental conditions. PMID:26047851

  9. Electrorheological crystallization of proteins and other molecules

    DOEpatents

    Craig, G.D.; Rupp, B.

    1996-06-11

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an X-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the X-ray diffraction pattern. 4 figs.

  10. Electrorheological crystallization of proteins and other molecules

    DOEpatents

    Craig, George D.; Rupp, Bernhard

    1996-01-01

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an x-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the x-ray diffraction pattern.

  11. Determination of the upper and lower limits of the mechanistic stoichiometry of incompletely coupled fluxes. Stoichiometry of incompletely coupled reactions.

    PubMed

    Beavis, A D; Lehninger, A L

    1986-07-15

    A rationale is formulated for the design of experiments to determine the upper and lower limits of the mechanistic stoichiometry of any two incompletely coupled fluxes J1 and J2. Incomplete coupling results when there is a branch at some point in the sequence of reactions or processes coupling the two fluxes. The upper limit of the mechanistic stoichiometry is given by the minimum value of dJ2/dJ1 obtained when the fluxes are systematically varied by changes in steps after the branch point. The lower limit is given by the maximum value of dJ2/dJ1 obtained when the fluxes are varied by changes in steps prior to the branch point. The rationale for determining these limits is developed from both a simple kinetic model and from a linear nonequilibrium thermodynamic treatment of coupled fluxes, using the mechanistic approach [Westerhoff, H. V. & van Dam, K. (1979) Curr. Top. Bioenerg. 9, 1-62]. The phenomenological stoichiometry, the flux ratio at level flow and the affinity ratio at static head of incompletely coupled fluxes are defined in terms of mechanistic conductances and their relationship to the mechanistic stoichiometry is discussed. From the rationale developed, experimental approaches to determine the mechanistic stoichiometry of mitochondrial oxidative phosphorylation are outlined. The principles employed do not require knowledge of the pathway or the rate of transmembrane leaks or slippage and may also be applied to analysis of the stoichiometry of other incompletely coupled systems, including vectorial H+/O and K+/O translocation coupled to mitochondrial electron transport. PMID:3015612

  12. Prebiologically Important Interstellar Molecules

    NASA Astrophysics Data System (ADS)

    Kuan, Y.-J.; Huang, H.-C.; Charnley, S. B.; Tseng, W.-L.; Snyder, L. E.; Ehrenfreund, P.; Kisiel, Z.; Thorwirth, S.; Bohn, R. K.; Wilson, T. L.

    2004-06-01

    Understanding the organic chemistry of molecular clouds, particularly the formation of biologically important molecules, is fundamental to the study of the processes which lead to the origin, evolution and distribution of life in the Galaxy. Determining the level of molecular complexity attainable in the clouds, and the nature of the complex organic material available to protostellar disks and the planetary systems that form from them, requires an understanding of the possible chemical pathways and is therefore a central question in astrochemistry. We have thus searched for prebiologically important molecules in the hot molecular cloud cores: Sgr B2(N-LMH), W51 e1/e2 and Orion-KL. Among the molecules searched: Pyrimidine is the unsubstituted ring analogue for three of the DNA and RNA bases. 2H-Azirine and Aziridine are azaheterocyclic compounds. And Glycine is the simplest amino acid. Detections of these interstellar organic molecular species will thus have important implications for Astrobiology. Our preliminary results indicate a tentative detection of interstellar glycine. If confirmed, this will be the first detection of an amino acid in interstellar space and will greatly strengthen the thesis that interstellar organic molecules could have played a pivotal role in the prebiotic chemistry of the early Earth.

  13. Incomplete block factorization preconditioning for indefinite elliptic problems

    SciTech Connect

    Guo, Chun-Hua

    1996-12-31

    The application of the finite difference method to approximate the solution of an indefinite elliptic problem produces a linear system whose coefficient matrix is block tridiagonal and symmetric indefinite. Such a linear system can be solved efficiently by a conjugate residual method, particularly when combined with a good preconditioner. We show that specific incomplete block factorization exists for the indefinite matrix if the mesh size is reasonably small. And this factorization can serve as an efficient preconditioner. Some efforts are made to estimate the eigenvalues of the preconditioned matrix. Numerical results are also given.

  14. Rough Set Approach to Incomplete Multiscale Information System

    PubMed Central

    Yang, Xibei; Qi, Yong; Yu, Dongjun; Yu, Hualong; Song, Xiaoning; Yang, Jingyu

    2014-01-01

    Multiscale information system is a new knowledge representation system for expressing the knowledge with different levels of granulations. In this paper, by considering the unknown values, which can be seen everywhere in real world applications, the incomplete multiscale information system is firstly investigated. The descriptor technique is employed to construct rough sets at different scales for analyzing the hierarchically structured data. The problem of unravelling decision rules at different scales is also addressed. Finally, the reduct descriptors are formulated to simplify decision rules, which can be derived from different scales. Some numerical examples are employed to substantiate the conceptual arguments. PMID:25276852

  15. A computer program for estimation from incomplete multinomial data

    NASA Technical Reports Server (NTRS)

    Credeur, K. R.

    1978-01-01

    Coding is given for maximum likelihood and Bayesian estimation of the vector p of multinomial cell probabilities from incomplete data. Also included is coding to calculate and approximate elements of the posterior mean and covariance matrices. The program is written in FORTRAN 4 language for the Control Data CYBER 170 series digital computer system with network operating system (NOS) 1.1. The program requires approximately 44000 octal locations of core storage. A typical case requires from 72 seconds to 92 seconds on CYBER 175 depending on the value of the prior parameter.

  16. Conditioning analysis of incomplete Cholesky factorizations with orthogonal dropping

    SciTech Connect

    Napov, Artem

    2012-03-16

    The analysis of preconditioners based on incomplete Cholesky factorization in which the neglected (dropped) components are orthogonal to the approximations being kept is presented. General estimate for the condition number of the preconditioned system is given which only depends on the accuracy of individual approximations. The estimate is further improved if, for instance, only the newly computed rows of the factor are modified during each approximation step. In this latter case it is further shown to be sharp. The analysis is illustrated with some existing factorizations in the context of discretized elliptic partial differential equations.

  17. Incomplete block SSOR preconditionings for high order discretizations

    SciTech Connect

    Kolotilina, L.

    1994-12-31

    This paper considers the solution of linear algebraic systems Ax = b resulting from the p-version of the Finite Element Method (FEM) using PCG iterations. Contrary to the h-version, the p-version ensures the desired accuracy of a discretization not by refining an original finite element mesh but by introducing higher degree polynomials as additional basis functions which permits to reduce the size of the resulting linear system as compared with the h-version. The suggested preconditionings are the so-called Incomplete Block SSOR (IBSSOR) preconditionings.

  18. Erythema multiforme as first sign of incomplete Kawasaki disease

    PubMed Central

    2013-01-01

    Incomplete Kawasaki disease represents a diagnostic challenge for pediatricians. In the absence of classical presentation, the laboratoristic evaluation of systemic inflammation can help in placing the correct diagnosis to promptly start adequate therapy. Erythema multiforme is an acute, self-limiting condition considered to be a hypersensitivity reaction commonly associated with various infections or medications. This aspecific skin condition has been rarely described as a sign of Kawasaki disease. We report on the case of a 4 years old boy presenting high-grade fever associated with erythema multiforme and evidence of systemic inflammation who showed a good response to prompt treatment with intravenous immunoglobulins. PMID:23406772

  19. Incompletely fractured teeth--a survey of endodontists.

    PubMed

    Maxwell, E H; Braly, B V; Eakle, W S

    1986-01-01

    By means of questionnaires, 303 endodontists were asked about their experiences in the diagnosis and treatment of incompletely fractured teeth. The present article discloses the results relative to which teeth are most likely to fracture, which predisposing factors involve higher or lower risk, how endodontists prefer to treat root-fractured teeth, and the success rate they have had with them. The endodontists also reported the frequency of endodontic treatment failures attributable to root fractures. These results are discussed with respect to the potential implications for clinical dental practice. PMID:3456133

  20. A Supernodal Approach to Incomplete LU Factorization with Partial Pivoting

    SciTech Connect

    Li, Xiaoye Sherry; Shao, Meiyue

    2009-06-25

    We present a new supernode-based incomplete LU factorization method to construct a preconditioner for solving sparse linear systems with iterative methods. The new algorithm is primarily based on the ILUTP approach by Saad, and we incorporate a number of techniques to improve the robustness and performance of the traditional ILUTP method. These include the new dropping strategies that accommodate the use of supernodal structures in the factored matrix. We present numerical experiments to demonstrate that our new method is competitive with the other ILU approaches and is well suited for today's high performance architectures.

  1. Effects of incomplete adaption and disturbance in adaptive control

    NASA Technical Reports Server (NTRS)

    Lindorff, D. P.

    1972-01-01

    This investigation focused attention on the fact that the synthesis of adaptive control systems has often been discussed in the framework of idealizations which may represent over simplifications. A condition for boundedness of the tracking error has been derived for the case in which incomplete adaption and disturbance are present. When using Parks' design it is shown that instability of the adaptive gains can result due to the presence of disturbance. The theory has been applied to a nontrivial example in order to illustrate the concepts involved.

  2. Familial occurrence of congenital incomplete prepyloric mucosal diaphragm.

    PubMed Central

    Gahukamble, D B

    1998-01-01

    Incomplete prepyloric mucosal diaphragm (IPMD) is an uncommon congenital anomaly that leads to gastric outlet obstruction in infancy and childhood. This report describes the occurrence of IPMD in six children in a closely knit tribal family from a geographically isolated desert town with a small population in the Sahara. Their records showed similarities of clinical, radiological, operative, and histopathological features. These features, as well as its occurrence in brothers, sisters, and cousins, suggest that this unusual anomaly is transmitted as an autosomal recessive trait. Images PMID:9863605

  3. Incomplete optical shielding in cold sodium atom traps

    SciTech Connect

    Yurovsky, Vladimir; Ben-Reuven, Abraham

    1997-01-05

    A simple two-channel model, based on the semiclassical Landau-Zener (LZ) approximation, with averaging over angle-dependent exponents, is proposed as a fast means for accounting for the incomplete optical shielding of collisions, as observed in recent experiments conducted by Weiner and co-workers on ultracold sodium-atom traps, and its dependence on the laser polarization. The model yields a reasonably good agreement with the recent quantum close-coupling calculations of Julienne and co-workers. The remaining discrepancy between both theories and the data is qualitatively attributed to a partial overlap of the collision ranges at which loss processes and optical shielding occur.

  4. Alzheimer’s disease AdvaxCpG- adjuvanted MultiTEP-based dual and single vaccines induce high-titer antibodies against various forms of tau and Aβ pathological molecules

    PubMed Central

    Davtyan, Hayk; Zagorski, Karen; Rajapaksha, Harinda; Hovakimyan, Armine; Davtyan, Arpine; Petrushina, Irina; Kazarian, Konstantin; Cribbs, David H.; Petrovsky, Nikolai; Agadjanyan, Michael G.; Ghochikyan, Anahit

    2016-01-01

    Although β-amyloid (Aβ) may be the primary driver of Alzheimer’s disease (AD) pathology, accumulation of pathological tau correlates with dementia in AD patients. Thus, the prevention/inhibition of AD may require vaccine/s targeting Aβ and tau simultaneously or sequentially. Since high antibody titers are required for AD vaccine efficacy, we have decided to generate vaccines, targeting Aβ (AV-1959R), Tau (AV-1980R) or Aβ/tau (AV-1953R) B cell epitopes, based on immunogenic MultiTEP platform and evaluate the immunogenicity of these vaccines formulated with AdvaxCpG, delta inulin, Alhydrogel®, Montanide-ISA51, Montanide-ISA720, MPLA-SM pharmaceutical grade adjuvants. Formulation of AV-1959R in AdvaxCpG induced the highest cellular and humoral immune responses in mice. The dual-epitope vaccine, AV-1953R, or the combination of AV-1959R and AV-1980R vaccines formulated with AdvaxCpG induced robust antibody responses against various forms of both, Aβ and tau pathological molecules. While anti-Aβ antibody titers after AV-1953R immunization were similar to that in mice vaccinated with AV-1959R or AV-1959R/AV-1980R combination, anti-tau titers were significantly lower after AV-1953R injection when compared to the AV-1980R or AV-1959R/AV-1980R. In silico 3D-modeling provided insight into the differences in immunogenicity of these vaccine constructs. In sum, AV-1959R and AV-1980R formulated with AdvaxCpG adjuvant were identified as promising immunogenic vaccines for ongoing pre-clinical assessment and future human clinical trials. PMID:27363809

  5. Alzheimer's disease Advax(CpG)- adjuvanted MultiTEP-based dual and single vaccines induce high-titer antibodies against various forms of tau and Aβ pathological molecules.

    PubMed

    Davtyan, Hayk; Zagorski, Karen; Rajapaksha, Harinda; Hovakimyan, Armine; Davtyan, Arpine; Petrushina, Irina; Kazarian, Konstantin; Cribbs, David H; Petrovsky, Nikolai; Agadjanyan, Michael G; Ghochikyan, Anahit

    2016-01-01

    Although β-amyloid (Aβ) may be the primary driver of Alzheimer's disease (AD) pathology, accumulation of pathological tau correlates with dementia in AD patients. Thus, the prevention/inhibition of AD may require vaccine/s targeting Aβ and tau simultaneously or sequentially. Since high antibody titers are required for AD vaccine efficacy, we have decided to generate vaccines, targeting Aβ (AV-1959R), Tau (AV-1980R) or Aβ/tau (AV-1953R) B cell epitopes, based on immunogenic MultiTEP platform and evaluate the immunogenicity of these vaccines formulated with Advax(CpG), delta inulin, Alhydrogel(®), Montanide-ISA51, Montanide-ISA720, MPLA-SM pharmaceutical grade adjuvants. Formulation of AV-1959R in Advax(CpG) induced the highest cellular and humoral immune responses in mice. The dual-epitope vaccine, AV-1953R, or the combination of AV-1959R and AV-1980R vaccines formulated with Advax(CpG) induced robust antibody responses against various forms of both, Aβ and tau pathological molecules. While anti-Aβ antibody titers after AV-1953R immunization were similar to that in mice vaccinated with AV-1959R or AV-1959R/AV-1980R combination, anti-tau titers were significantly lower after AV-1953R injection when compared to the AV-1980R or AV-1959R/AV-1980R. In silico 3D-modeling provided insight into the differences in immunogenicity of these vaccine constructs. In sum, AV-1959R and AV-1980R formulated with Advax(CpG) adjuvant were identified as promising immunogenic vaccines for ongoing pre-clinical assessment and future human clinical trials. PMID:27363809

  6. Cold molecules, collisions and reactions

    NASA Astrophysics Data System (ADS)

    Hecker Denschlag, Johannes

    2016-05-01

    I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

  7. 7 CFR 1924.11 - District Director's review of incomplete development.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... observations and recommendations regarding incomplete development. The report may be included in the District... 7 Agriculture 12 2011-01-01 2011-01-01 false District Director's review of incomplete development... and Other Development § 1924.11 District Director's review of incomplete development. During...

  8. 7 CFR 1924.11 - District Director's review of incomplete development.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... observations and recommendations regarding incomplete development. The report may be included in the District... 7 Agriculture 12 2010-01-01 2010-01-01 false District Director's review of incomplete development... and Other Development § 1924.11 District Director's review of incomplete development. During...

  9. Cannabinoids induce incomplete maturation of cultured human leukemia cells

    SciTech Connect

    Murison, G.; Chubb, C.B.H.; Maeda, S.; Gemmell, M.A.; Huberman, E.

    1987-08-01

    Monocyte maturation markers were induced in cultured human myeloblastic ML-2 leukemia cells after treatment for 1-6 days with 0.03-30 ..mu..M ..delta../sup 9/-tetrahydrocannabinol (THC), the major psychoactive component of marijuana. After a 2-day or longer treatment, 2- to 5-fold increases were found in the percentages of cells exhibiting reactivity with either the murine OKM1 monoclonal antibody of the Leu-M5 monoclonal antibody, staining positively for nonspecific esterase activity, and displaying a promonocyte morphology. The increases in these differentiation markers after treatment with 0.03-1 ..mu..M THC were dose dependent. At this dose range, THC did not cause an inhibition of cell growth. The THC-induced cell maturation was also characterized by specific changes in the patterns of newly synthesized proteins. The THC-induced differentiation did not, however, result in cells with a highly developed mature monocyte phenotype. However, treatment of these incompletely matured cells with either phorbol 12-myristate 13-acetate of 1..cap alpha..,25-dihydroxycholecalciferol, which are inducers of differentiation in myeloid leukemia cells (including ML-2 cells), produced cells with a mature monocyte morphology. The ML-2 cell system described here may be a useful tool for deciphering critical biochemical events that lead to the cannabinoid-induced incomplete cell differentiation of ML-2 cells and other related cell types. Findings obtained from this system may have important implications for studies of cannabinoid effects on normal human bone-marrow progenitor cells.

  10. Estimating the prevalence of inbreeding from incomplete pedigrees.

    PubMed

    Marshall, T C; Coltman, D W; Pemberton, J M; Slate, J; Spalton, J A; Guinness, F E; Smith, J A; Pilkington, J G; Clutton-Brock, T H

    2002-08-01

    A previous review of inbreeding in natural populations suggested that close inbreeding (inbreeding coefficient f = 0.25) is generally rare in wild birds and mammals. However, the review did not assess rates of moderate inbreeding (f = 0.125), which may make a rather larger contribution to overall inbreeding in a population. Furthermore, previous studies may have underestimated the prevalence of inbreeding in wild populations with incomplete pedigrees. By categorizing inbreeding events by the relationship of the parental pair, we suggest a simple method for estimating rates of close and moderate inbreeding from incomplete pedigree data. We applied this method to three wild populations of ruminants: red deer on Rum, Scotland, Soay sheep on Hirta, Scotland and reintroduced Arabian oryx on the Jiddat-al-Harasis, Oman. Although paternal half-sib pairs were the most common category of inbreeding in all three populations, there was considerable variation among populations in the frequencies of the various categories of inbreeding. This variation may be largely explained by differences in population size and dynamics, in maternal and paternal sibship size and in the overlap of reproductive lifespan of consecutive generations. Close and moderate inbreeding appear to be a routine part of breeding behaviour in these ruminant populations. PMID:12184822

  11. Dynamic Financial Constraints: Distinguishing Mechanism Design from Exogenously Incomplete Regimes*

    PubMed Central

    Karaivanov, Alexander; Townsend, Robert M.

    2014-01-01

    We formulate and solve a range of dynamic models of constrained credit/insurance that allow for moral hazard and limited commitment. We compare them to full insurance and exogenously incomplete financial regimes (autarky, saving only, borrowing and lending in a single asset). We develop computational methods based on mechanism design, linear programming, and maximum likelihood to estimate, compare, and statistically test these alternative dynamic models with financial/information constraints. Our methods can use both cross-sectional and panel data and allow for measurement error and unobserved heterogeneity. We estimate the models using data on Thai households running small businesses from two separate samples. We find that in the rural sample, the exogenously incomplete saving only and borrowing regimes provide the best fit using data on consumption, business assets, investment, and income. Family and other networks help consumption smoothing there, as in a moral hazard constrained regime. In contrast, in urban areas, we find mechanism design financial/information regimes that are decidedly less constrained, with the moral hazard model fitting best combined business and consumption data. We perform numerous robustness checks in both the Thai data and in Monte Carlo simulations and compare our maximum likelihood criterion with results from other metrics and data not used in the estimation. A prototypical counterfactual policy evaluation exercise using the estimation results is also featured. PMID:25246710

  12. An information propagation model considering incomplete reading behavior in microblog

    NASA Astrophysics Data System (ADS)

    Su, Qiang; Huang, Jiajia; Zhao, Xiande

    2015-02-01

    Microblog is one of the most popular communication channels on the Internet, and has already become the third largest source of news and public opinions in China. Although researchers have studied the information propagation in microblog using the epidemic models, previous studies have not considered the incomplete reading behavior among microblog users. Therefore, the model cannot fit the real situations well. In this paper, we proposed an improved model entitled Microblog-Susceptible-Infected-Removed (Mb-SIR) for information propagation by explicitly considering the user's incomplete reading behavior. We also tested the effectiveness of the model using real data from Sina Microblog. We demonstrate that the new proposed model is more accurate in describing the information propagation in microblog. In addition, we also investigate the effects of the critical model parameters, e.g., reading rate, spreading rate, and removed rate through numerical simulations. The simulation results show that, compared with other parameters, reading rate plays the most influential role in the information propagation performance in microblog.

  13. Regularised finite element model updating using measured incomplete modal data

    NASA Astrophysics Data System (ADS)

    Chen, Hua-Peng; Maung, Than Soe

    2014-10-01

    This paper presents an effective approach for directly updating finite element model from measured incomplete vibration modal data with regularised algorithms. The proposed method is based on the relationship between the perturbation of structural parameters such as stiffness change and the modal data measurements of the tested structure such as measured mode shape readings. In order to adjust structural parameters at detailed locations, structural updating parameters will be selected at critical point level to reflect the modelling errors at the connections of structural elements. These updating parameters are then evaluated by an iterative or a direct solution procedure, which gives optimised solutions in the least squares sense without requiring an optimisation technique. In order to reduce the influence of modal measurement uncertainty, the Tikhonov regularisation method incorporating the L-curve criterion is employed to produce reliable solutions for the chosen updating parameters. Numerical simulation investigations and experimental studies for the laboratory tested space steel frame structure are undertaken to verify the accuracy and effectiveness of the proposed methods for adjusting the stiffness at the joints of structural members. The results demonstrate that the proposed methods provide reliable estimates of finite element model updating using the measured incomplete modal data.

  14. On Multilabel Classification Methods of Incompletely Labeled Biomedical Text Data

    PubMed Central

    Kamyshenkov, Dmitry; Smekalova, Elena; Golovizin, Alexey; Zhavoronkov, Alex

    2014-01-01

    Multilabel classification is often hindered by incompletely labeled training datasets; for some items of such dataset (or even for all of them) some labels may be omitted. In this case, we cannot know if any item is labeled fully and correctly. When we train a classifier directly on incompletely labeled dataset, it performs ineffectively. To overcome the problem, we added an extra step, training set modification, before training a classifier. In this paper, we try two algorithms for training set modification: weighted k-nearest neighbor (WkNN) and soft supervised learning (SoftSL). Both of these approaches are based on similarity measurements between data vectors. We performed the experiments on AgingPortfolio (text dataset) and then rechecked on the Yeast (nontext genetic data). We tried SVM and RF classifiers for the original datasets and then for the modified ones. For each dataset, our experiments demonstrated that both classification algorithms performed considerably better when preceded by the training set modification step. PMID:24587817

  15. Analysis of recurrent event data with incomplete observation gaps.

    PubMed

    Kim, Yang-Jin; Jhun, Myoungshic

    2008-03-30

    In analysis of recurrent event data, recurrent events are not completely experienced when the terminating event occurs before the end of a study. To make valid inference of recurrent events, several methods have been suggested for accommodating the terminating event (Statist. Med. 1997; 16:911-924; Biometrics 2000; 56:554-562). In this paper, our interest is to consider a particular situation, where intermittent dropouts result in observation gaps during which no recurrent events are observed. In this situation, risk status varies over time and the usual definition of risk variable is not applicable. In particular, we consider the case when information on the observation gap is incomplete, that is, the starting time of intermittent dropout is known but the terminating time is not available. This incomplete information is modeled in terms of an interval-censored mechanism. Our proposed method is applied to the study of the Young Traffic Offenders Program on conviction rates, wherein a certain proportion of subjects experienced suspensions with intermittent dropouts during the study. PMID:17611955

  16. Topological effects of data incompleteness of gene regulatory networks

    PubMed Central

    2012-01-01

    Background The topological analysis of biological networks has been a prolific topic in network science during the last decade. A persistent problem with this approach is the inherent uncertainty and noisy nature of the data. One of the cases in which this situation is more marked is that of transcriptional regulatory networks (TRNs) in bacteria. The datasets are incomplete because regulatory pathways associated to a relevant fraction of bacterial genes remain unknown. Furthermore, direction, strengths and signs of the links are sometimes unknown or simply overlooked. Finally, the experimental approaches to infer the regulations are highly heterogeneous, in a way that induces the appearance of systematic experimental-topological correlations. And yet, the quality of the available data increases constantly. Results In this work we capitalize on these advances to point out the influence of data (in)completeness and quality on some classical results on topological analysis of TRNs, specially regarding modularity at different levels. Conclusions In doing so, we identify the most relevant factors affecting the validity of previous findings, highlighting important caveats to future prokaryotic TRNs topological analysis. PMID:22920968

  17. Experimental Determination of Multipartite Entanglement with Incomplete Information

    NASA Astrophysics Data System (ADS)

    Aguilar, G. H.; Walborn, S. P.; Ribeiro, P. H. Souto; Céleri, L. C.

    2015-07-01

    Multipartite entanglement is very poorly understood despite all the theoretical and experimental advances of the last decades. Preparation, manipulation, and identification of this resource is crucial for both practical and fundamental reasons. However, the difficulty in the practical manipulation and the complexity of the data generated by measurements on these systems increase rapidly with the number of parties. Therefore, we would like to experimentally address the problem of how much information about multipartite entanglement we can access with incomplete measurements. In particular, it was shown that some types of pure multipartite entangled states can be witnessed without measuring the correlations [M. Walter et al., Science 340, 1205 (2013)] between parties, which is strongly demanding experimentally. We explore this method using an optical setup that permits the preparation and the complete tomographic reconstruction of many inequivalent classes of three- and four-partite entangled states, and compare complete versus incomplete information. We show that the method is useful in practice, even for nonpure states or nonideal measurement conditions.

  18. Bibliographic review and new measurements of the integrated cross sections of 8 molecules (H2O, CO, CO2, CH3OH, NH3, CH4, HCOOH and H2CO) in the solid form at 25K

    NASA Astrophysics Data System (ADS)

    Michaelle, B.; Nicolas, F.; Yves, B.; Hervé, C.; Antoine, J.; Claire, G. Marie

    2014-04-01

    Infrared spectra from ISO and Spitzer telescopes revealed the presence of several molecules in the solid phase such as H2O, CO, CO2, CH3OH, NH3, CH4, HCOOH and H2CO in the environment of some Young Stellar Objects (YSOs) ([1], [2], [3], [4]. To quantify the column density of those molecules, the knowledge of some spectroscopic parameters, especially the integrated cross section A (cm.molecule-1) is required. For some molecules, inconsistencies on the values of spectroscopic parameters can be found in the literature. The purpose of this study is to compare all the values found in the literature with the ones that we have measured recently in order to propose more convincing values.

  19. Nonsequential double ionization of molecules

    SciTech Connect

    Prauzner-Bechcicki, Jakub S.; Sacha, Krzysztof; Zakrzewski, Jakub; Eckhardt, Bruno

    2005-03-01

    Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after rescattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or nonsequential events. In order to increase the ratio of nonsequential to sequential ionizations very short laser pulses should be applied.

  20. Confidence-interval construction for rate ratio in matched-pair studies with incomplete data.

    PubMed

    Li, Hui-Qiong; Chan, Ivan S F; Tang, Man-Lai; Tian, Guo-Liang; Tang, Nian-Sheng

    2014-01-01

    Matched-pair design is often used in clinical trials to increase the efficiency of establishing equivalence between two treatments with binary outcomes. In this article, we consider such a design based on rate ratio in the presence of incomplete data. The rate ratio is one of the most frequently used indices in comparing efficiency of two treatments in clinical trials. In this article, we propose 10 confidence-interval estimators for the rate ratio in incomplete matched-pair designs. A hybrid method that recovers variance estimates required for the rate ratio from the confidence limits for single proportions is proposed. It is noteworthy that confidence intervals based on this hybrid method have closed-form solution. The performance of the proposed confidence intervals is evaluated with respect to their exact coverage probability, expected confidence interval width, and distal and mesial noncoverage probability. The results show that the hybrid Agresti-Coull confidence interval based on Fieller's theorem performs satisfactorily for small to moderate sample sizes. Two real examples from clinical trials are used to illustrate the proposed confidence intervals. PMID:24697611

  1. Adhesion molecules in cutaneous inflammation.

    PubMed

    Barker, J N

    1995-01-01

    As in other organs, leukocyte adhesion molecules and their ligands play a major role in cutaneous inflammatory events both by directing leukocyte trafficking and by their effects on antigen presentation. Skin biopsies of inflamed skin from patients with diseases such as as psoriasis or atopic dermatitis reveal up-regulation of endothelial cell expression of P- and E-selectin, vascular cell adhesion molecule 1 and intercellular adhesion molecule 1. Studies of evolving lesions following UVB irradiation, Mantoux reaction or application of contact allergen, demonstrate that expression of these adhesion molecules parallels leukocyte infiltration into skin. When cutaneous inflammation is widespread (e.g. in erythroderma), soluble forms of these molecules are detectable in serum. In vitro studies predict that peptide mediators are important regulatory factors for endothelial adhesion molecules. Intradermal injection of the cytokines interleukin 1, tumour necrosis factor alpha and interferon gamma into normal human skin leads to induction of endothelial adhesion molecules with concomitant infiltration of leukocytes. In addition, neuropeptides rapidly induce P-selectin translocation to the cell membrane and expression of E-selectin. Adhesion molecules also play a crucial role as accessory molecules in the presentation of antigen to T lymphocytes by Langerhans' cells. Expression of selectin ligands by Langerhans' cells is up-regulated by various inflammatory stimuli, suggesting that adhesion molecules may be important in Langerhans' cell migration. The skin, because of its accessibility, is an ideal organ in which to study expression of adhesion molecules and their relationship to inflammatory events. Inflammatory skin diseases are common and inhibition of lymphocyte accumulation in skin is likely to prove of great therapeutic benefit. PMID:7587640

  2. Photonic Molecule Lasers Revisited

    NASA Astrophysics Data System (ADS)

    Gagnon, Denis; Dumont, Joey; Déziel, Jean-Luc; Dubé, Louis J.

    2014-05-01

    Photonic molecules (PMs) formed by coupling two or more optical resonators are ideal candidates for the fabrication of integrated microlasers, photonic molecule lasers. Whereas most calculations on PM lasers have been based on cold-cavity (passive) modes, i.e. quasi-bound states, a recently formulated steady-state ab initio laser theory (SALT) offers the possibility to take into account the spectral properties of the underlying gain transition, its position and linewidth, as well as incorporating an arbitrary pump profile. We will combine two theoretical approaches to characterize the lasing properties of PM lasers: for two-dimensional systems, the generalized Lorenz-Mie theory will obtain the resonant modes of the coupled molecules in an active medium described by SALT. Not only is then the theoretical description more complete, the use of an active medium provides additional parameters to control, engineer and harness the lasing properties of PM lasers for ultra-low threshold and directional single-mode emission. We will extend our recent study and present new results for a number of promising geometries. The authors acknowledge financial support from NSERC (Canada) and the CERC in Photonic Innovations of Y. Messaddeq.

  3. Molecules in interstellar clouds

    NASA Astrophysics Data System (ADS)

    Irvine, W. M.; Hjalmarson, A.; Rydbeck, O. E. H.

    The physical conditions and chemical compositions of the gas in interstellar clouds are reviewed in light of the importance of interstellar clouds for star formation and the origin of life. The Orion A region is discussed as an example of a giant molecular cloud where massive stars are being formed, and it is pointed out that conditions in the core of the cloud, with a kinetic temperature of about 75 K and a density of 100,000-1,000,000 molecules/cu cm, may support gas phase ion-molecule chemistry. The Taurus Molecular Clouds are then considered as examples of cold, dark, relatively dense interstellar clouds which may be the birthplaces of solar-type stars and which have been found to contain the heaviest interstellar molecules yet discovered. The molecular species identified in each of these regions are tabulated, including such building blocks of biological monomers as H2O, NH3, H2CO, CO, H2S, CH3CN and H2, and more complex species such as HCOOCH3 and CH3CH2CN.

  4. Management of the Patient with Incomplete Response to PPI Therapy

    PubMed Central

    Kahrilas, Peter J; Boeckxstaens, Guy; Smout, Andre JPM

    2013-01-01

    Proton pump inhibitors (PPIs) remove most of the acid from the gastroesophageal refluxate. However, PPIs do not eliminate reflux and the response of specific GERD symptoms to PPI therapy depends on the degree to which acid drives those symptoms. PPIs are progressively less effective for heartburn, regurgitation, chest pain and extra-esophageal symptoms. Hence, with an incomplete PPI response, obtaining an accurate history, detailing which symptoms are ‘refractory’ and exactly what evidence exists linking these symptoms to GERD is paramount. Reflux can continue to cause symptoms despite PPI therapy because of persistent acid reflux or weakly acidic reflux. Given these possibilities, diagnostic testing (pH or pH-impedance monitoring) becomes essential. Antireflux surgery is an alternative in patients if a clear relationship is established between persistent symptoms, particularly regurgitation, and reflux. Treating visceral hypersensitivity may also benefit the subset of GERD patients whose symptoms are driven by this mechanism. PMID:23998978

  5. A flexible acquisition cycle for incompletely defined fieldbus protocols.

    PubMed

    Gaitan, Vasile-Gheorghita; Gaitan, Nicoleta-Cristina; Ungurean, Ioan

    2014-05-01

    Real time data-acquisition from fieldbuses strongly depends on the network type and protocol used. Currently, there is an impressive number of fieldbuses, some of them are completely defined and others are incompletely defined. In those from the second category, the time variable, the main element in real-time data acquisition, does not appear explicitly. Examples include protocols such as Modbus ASCII/RTU, M-bus, ASCII character-based, and so on. This paper defines a flexible acquisition cycle based on the Master-Slave architecture that can be implemented on a Master station, called a Base Station Gateway (BSG). The BSG can add a timestamp for temporal location of data. It also presents a possible extension for the Modbus protocol, developed as simple and low cost solution based on existing hardware. PMID:24650922

  6. Absolute magnitude calibration using trigonometric parallax - Incomplete, spectroscopic samples

    NASA Technical Reports Server (NTRS)

    Ratnatunga, Kavan U.; Casertano, Stefano

    1991-01-01

    A new numerical algorithm is used to calibrate the absolute magnitude of spectroscopically selected stars from their observed trigonometric parallax. This procedure, based on maximum-likelihood estimation, can retrieve unbiased estimates of the intrinsic absolute magnitude and its dispersion even from incomplete samples suffering from selection biases in apparent magnitude and color. It can also make full use of low accuracy and negative parallaxes and incorporate censorship on reported parallax values. Accurate error estimates are derived for each of the fitted parameters. The algorithm allows an a posteriori check of whether the fitted model gives a good representation of the observations. The procedure is described in general and applied to both real and simulated data.

  7. Incomplete transposition of the common femoral artery and vein.

    PubMed

    Leite, J O; Carvalho Ventura, I; Botelho, F E; Costa Galvao, W

    2010-02-01

    Anatomical variations of the great saphenous vein, femoral artery and femoral vein at the inguinal level are rare. Modifications in the anatomical relationships among theses vessel can cause technical difficulties. There are two reports in the literature of the complete transposition of the femoral artery and vein. Both patients had large varicose veins only in the limb that presented the variation, which suggested an extrinsic compression. In the present paper, we report a case study of a patient with an incomplete transposition of the femoral artery and vein. Specifically, the common femoral vein and the saphenofemoral junction were completely overlapped by the common femoral artery. Although this anatomical variation did not present any clinical signs, it required a more complex surgical procedure. PMID:20224538

  8. A Coupled Approach for Structural Damage Detection with Incomplete Measurements

    NASA Technical Reports Server (NTRS)

    James, George; Cao, Timothy; Kaouk, Mo; Zimmerman, David

    2013-01-01

    This historical work couples model order reduction, damage detection, dynamic residual/mode shape expansion, and damage extent estimation to overcome the incomplete measurements problem by using an appropriate undamaged structural model. A contribution of this work is the development of a process to estimate the full dynamic residuals using the columns of a spring connectivity matrix obtained by disassembling the structural stiffness matrix. Another contribution is the extension of an eigenvector filtering procedure to produce full-order mode shapes that more closely match the measured active partition of the mode shapes using a set of modified Ritz vectors. The full dynamic residuals and full mode shapes are used as inputs to the minimum rank perturbation theory to provide an estimate of damage location and extent. The issues associated with this process are also discussed as drivers of near-term development activities to understand and improve this approach.

  9. Incomplete dominant osteochondrodysplasia in heterozygous Scottish Fold cats.

    PubMed

    Takanosu, M; Takanosu, T; Suzuki, H; Suzuki, K

    2008-04-01

    This report describes an autosomal incomplete dominant pattern of inheritance for osteochondrodysplasia in the Scottish Fold cats. A three-generation pedigree was analysed. Cats with folded ears were mated with cats with normal ears. All cats with folded ears, which were presumably heterozygous for the mutated allele, developed osteochondrodysplasia in distal fore- and hindlimbs but not in other bones, including the tail in which bone deformity had been demonstrated in previous studies. The severity of the skeletal lesions of osteochondrodysplasia was different in each affected cat. Most of the cats with severe osteochondrodysplasia showed some clinical signs, but cats with mild disease were clinically unaffected. All Scottish Fold-related cats with folded-ear phenotype, even if heterozygotes, suffered from some degree of osteochondrodysplasia of the distal limbs. PMID:18339089

  10. Spectral ordering techniques for incomplete LU preconditoners for CG methods

    NASA Technical Reports Server (NTRS)

    Clift, Simon S.; Simon, Horst D.; Tang, Wei-Pai

    1995-01-01

    The effectiveness of an incomplete LU (ILU) factorization as a preconditioner for the conjugate gradient method can be highly dependent on the ordering of the matrix rows during its creation. Detailed justification for two heuristics commonly used in matrix ordering for anisotropic problems is given. The bandwidth reduction and weak connection following heuristics are implemented through an ordering method based on eigenvector computations. This spectral ordering is shown to be a good representation of the heuristics. Analysis and test cases in two and three dimensional diffusion problems demonstrate when ordering is important, and when an ILU decomposition will be ordering insensitive. The applicability of the heuristics is thus evaluated and placed on a more rigorous footing.

  11. Least-bias state estimation with incomplete unbiased measurements

    NASA Astrophysics Data System (ADS)

    Řeháček, Jaroslav; Hradil, Zdeněk; Teo, Yong Siah; Sánchez-Soto, Luis L.; Ng, Hui Khoon; Chai, Jing Hao; Englert, Berthold-Georg

    2015-11-01

    Measuring incomplete sets of mutually unbiased bases constitutes a sensible approach to the tomography of high-dimensional quantum systems. The unbiased nature of these bases optimizes the uncertainty hypervolume. However, imposing unbiasedness on the probabilities for the unmeasured bases does not generally yield the estimator with the largest von Neumann entropy, a popular figure of merit in this context. Furthermore, this imposition typically leads to mock density matrices that are not even positive definite. This provides a strong argument against perfunctory applications of linear estimation strategies. We propose to use instead the physical state estimators that maximize the Shannon entropy of the unmeasured outcomes, which quantifies our lack of knowledge fittingly and gives physically meaningful statistical predictions.

  12. Symmetry of interactions rules in incompletely connected random replicator ecosystems.

    PubMed

    Kärenlampi, Petri P

    2014-06-01

    The evolution of an incompletely connected system of species with speciation and extinction is investigated in terms of random replicators. It is found that evolving random replicator systems with speciation do become large and complex, depending on speciation parameters. Antisymmetric interactions result in large systems, whereas systems with symmetric interactions remain small. A co-dominating feature is within-species interaction pressure: large within-species interaction increases species diversity. Average fitness evolves in all systems, however symmetry and connectivity evolve in small systems only. Newcomers get extinct almost immediately in symmetric systems. The distribution in species lifetimes is determined for antisymmetric systems. The replicator systems investigated do not show any sign of self-organized criticality. The generalized Lotka-Volterra system is shown to be a tedious way of implementing the replicator system. PMID:24965155

  13. Effects of incomplete mixing on chemical reactions under flow heterogeneities.

    NASA Astrophysics Data System (ADS)

    Perez, Lazaro; Hidalgo, Juan J.; Dentz, Marco

    2016-04-01

    Evaluation of the mixing process in aquifers is of primary importance when assessing attenuation of pollutants. In aquifers different hydraulic and chemical properties can increase mixing and spreading of the transported species. Mixing processes control biogeochemical transformations such as precipitation/dissolution reactions or degradation reactions that are fast compared to mass transfer processes. Reactions are local phenomena that fluctuate at the pore scale, but predictions are often made at much larger scales. However, aquifer heterogeities are found at all scales and generates flow heterogeneities which creates complex concentration distributions that enhances mixing. In order to assess the impact of spatial flow heterogeneities at pore scale we study concentration profiles, gradients and reaction rates using a random walk particle tracking (RWPT) method and kernel density estimators to reconstruct concentrations and gradients in two setups. First, we focus on a irreversible bimolecular reaction A+B → C under homogeneous flow to distinguish phenomena of incomplete mixing of reactants from finite-size sampling effects. Second, we analise a fast reversible bimolecular chemical reaction A+B rightleftharpoons C in a laminar Poiseuille flow reactor to determine the difference between local and global reaction rates caused by the incomplete mixing under flow heterogeneities. Simulation results for the first setup differ from the analytical solution of the continuum scale advection-dispersion-reaction equation studied by Gramling et al. (2002), which results in an overstimation quantity of reaction product (C). In the second setup, results show that actual reaction rates are bigger than the obtained from artificially mixing the system by averaging the concentration vertically. - LITERATURE Gramling, C. M.,Harvey, C. F., Meigs, and L. C., (2002). Reactive transport in porous media: A comparison of model prediction with laboratory visualization, Environ. Sci

  14. Incomplete flagellar structures in nonflagellate mutants of Salmonella typhimurium.

    PubMed Central

    Suzuki, T; Iino, T; Horiguchi, T; Yamaguchi, S

    1978-01-01

    Incomplete flagellar structures were detected in osmotically shocked cells or membrane-associated fraction of many nonflagellate mutants of Salmonella typhimurium by electron microscopy. The predominant types of these structures in the mutants were cistron specific. The incomplete basal bodies were detected in flaFI, flaFIV, flaFVIII, and flaFIX mutants, the structure homologous to a basal body in flaFV mutants, the polyhook-basal body complex in flaR mutants, and the hook-basal body complex in flaL and flaU mutants. No structures homologous to flagellar bases or their parts were detected in the early-fla group nonflagellate mutants of flaAI, flaAII, flaAIII, flaB, flaC, flaD, flaE, flaFII, flaFIII, flaFVI, flaFVII, flaFX, flaK, and flaM. From these observations, a process of flagellar morphogenesis was postulated. The functions of the early-fla group are essential to the formation of S ring-M ring-rod complexes bound to the membrane. The completion of basal bodies requires succeeding functions of flaFI, flaFIV, flaFVIII, and flaFIX. Next, the formation of hooks attached to basal bodies proceeds by the function of flaFV and by flaR, which controls the hook length. Flagellar filaments appear at the tips of hooks because of the functions of flaL, flaU, and flagellin genes. Images PMID:342514

  15. Single Molecule Electronics and Devices

    PubMed Central

    Tsutsui, Makusu; Taniguchi, Masateru

    2012-01-01

    The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule. PMID:22969345

  16. Probabilistic Seismic Hazard Assessment from Incomplete and Uncertain Data

    NASA Astrophysics Data System (ADS)

    Smit, Ansie; Kijko, Andrzej

    2016-04-01

    A question that frequently arises with seismic hazard assessment is why are our assessments so poor? Often the answer is that in many cases the standard applied methodologies do not take into account the nature of seismic event catalogs. In reality these catalogues are incomplete with uncertain magnitude estimates and a significant discrepancy between the empirical data and applied occurrence model. Most probabilistic seismic hazard analysis procedures require knowledge of at least three seismic source parameters: the mean seismic activity rate λ, the Gutenberg-Richter b-value, and the area-characteristic (seismogenic source) maximum possible earthquake magnitude Mmax. In almost all currently used seismic hazard assessment procedures utilizing these three parameters, it's explicitly assumed that all three remain constant over a specified time and space. However, closer examination of most earthquake catalogues indicates that there are significant spatial and temporal variations in the seismic activity rate λ as well as the Gutenberg-Richter b-value. In the proposed methodology the maximum likelihood estimation of these earthquake hazard parameters takes into account the incompleteness of catalogues, uncertainty in the earthquake magnitude determination as well as the uncertainty associated with the applied earthquake occurrence models. The uncertainty in the earthquake occurrence models are introduced by assuming that both, the mean, seismic activity rate λ and the b-value of Gutenberg-Richter are random variables, each described by the Gamma distribution. The approach results in the extension of the classic frequency-magnitude Gutenberg-Richter relation and the Poisson distribution of number of earthquakes, with their compounded counterparts. The proposed procedure is applied in the estimation of the seismic parameters for the area of Ceres-Tulbagh, South Africa, which experienced the strongest earthquake in the country's recorded history. In this example it is

  17. A hierarchical nest survival model integrating incomplete temporally varying covariates

    PubMed Central

    Converse, Sarah J; Royle, J Andrew; Adler, Peter H; Urbanek, Richard P; Barzen, Jeb A

    2013-01-01

    Nest success is a critical determinant of the dynamics of avian populations, and nest survival modeling has played a key role in advancing avian ecology and management. Beginning with the development of daily nest survival models, and proceeding through subsequent extensions, the capacity for modeling the effects of hypothesized factors on nest survival has expanded greatly. We extend nest survival models further by introducing an approach to deal with incompletely observed, temporally varying covariates using a hierarchical model. Hierarchical modeling offers a way to separate process and observational components of demographic models to obtain estimates of the parameters of primary interest, and to evaluate structural effects of ecological and management interest. We built a hierarchical model for daily nest survival to analyze nest data from reintroduced whooping cranes (Grus americana) in the Eastern Migratory Population. This reintroduction effort has been beset by poor reproduction, apparently due primarily to nest abandonment by breeding birds. We used the model to assess support for the hypothesis that nest abandonment is caused by harassment from biting insects. We obtained indices of blood-feeding insect populations based on the spatially interpolated counts of insects captured in carbon dioxide traps. However, insect trapping was not conducted daily, and so we had incomplete information on a temporally variable covariate of interest. We therefore supplemented our nest survival model with a parallel model for estimating the values of the missing insect covariates. We used Bayesian model selection to identify the best predictors of daily nest survival. Our results suggest that the black fly Simulium annulus may be negatively affecting nest survival of reintroduced whooping cranes, with decreasing nest survival as abundance of S. annulus increases. The modeling framework we have developed will be applied in the future to a larger data set to evaluate the

  18. A hierarchical nest survival model integrating incomplete temporally varying covariates

    USGS Publications Warehouse

    Converse, Sarah J.; Royle, J. Andrew; Adler, Peter H.; Urbanek, Richard P.; Barzan, Jeb A.

    2013-01-01

    Nest success is a critical determinant of the dynamics of avian populations, and nest survival modeling has played a key role in advancing avian ecology and management. Beginning with the development of daily nest survival models, and proceeding through subsequent extensions, the capacity for modeling the effects of hypothesized factors on nest survival has expanded greatly. We extend nest survival models further by introducing an approach to deal with incompletely observed, temporally varying covariates using a hierarchical model. Hierarchical modeling offers a way to separate process and observational components of demographic models to obtain estimates of the parameters of primary interest, and to evaluate structural effects of ecological and management interest. We built a hierarchical model for daily nest survival to analyze nest data from reintroduced whooping cranes (Grus americana) in the Eastern Migratory Population. This reintroduction effort has been beset by poor reproduction, apparently due primarily to nest abandonment by breeding birds. We used the model to assess support for the hypothesis that nest abandonment is caused by harassment from biting insects. We obtained indices of blood-feeding insect populations based on the spatially interpolated counts of insects captured in carbon dioxide traps. However, insect trapping was not conducted daily, and so we had incomplete information on a temporally variable covariate of interest. We therefore supplemented our nest survival model with a parallel model for estimating the values of the missing insect covariates. We used Bayesian model selection to identify the best predictors of daily nest survival. Our results suggest that the black fly Simulium annulus may be negatively affecting nest survival of reintroduced whooping cranes, with decreasing nest survival as abundance of S. annulus increases. The modeling framework we have developed will be applied in the future to a larger data set to evaluate the

  19. A hierarchical nest survival model integrating incomplete temporally varying covariates.

    PubMed

    Converse, Sarah J; Royle, J Andrew; Adler, Peter H; Urbanek, Richard P; Barzen, Jeb A

    2013-11-01

    Nest success is a critical determinant of the dynamics of avian populations, and nest survival modeling has played a key role in advancing avian ecology and management. Beginning with the development of daily nest survival models, and proceeding through subsequent extensions, the capacity for modeling the effects of hypothesized factors on nest survival has expanded greatly. We extend nest survival models further by introducing an approach to deal with incompletely observed, temporally varying covariates using a hierarchical model. Hierarchical modeling offers a way to separate process and observational components of demographic models to obtain estimates of the parameters of primary interest, and to evaluate structural effects of ecological and management interest. We built a hierarchical model for daily nest survival to analyze nest data from reintroduced whooping cranes (Grus americana) in the Eastern Migratory Population. This reintroduction effort has been beset by poor reproduction, apparently due primarily to nest abandonment by breeding birds. We used the model to assess support for the hypothesis that nest abandonment is caused by harassment from biting insects. We obtained indices of blood-feeding insect populations based on the spatially interpolated counts of insects captured in carbon dioxide traps. However, insect trapping was not conducted daily, and so we had incomplete information on a temporally variable covariate of interest. We therefore supplemented our nest survival model with a parallel model for estimating the values of the missing insect covariates. We used Bayesian model selection to identify the best predictors of daily nest survival. Our results suggest that the black fly Simulium annulus may be negatively affecting nest survival of reintroduced whooping cranes, with decreasing nest survival as abundance of S. annulus increases. The modeling framework we have developed will be applied in the future to a larger data set to evaluate the

  20. Incomplete-fusion reactions for {gamma}-ray spectroscopy: Application to the study of high-spin states in {sup 234}U

    SciTech Connect

    Lane, G. J.; Dracoulis, G. D.; Byrne, A. P.; McGoram, T. R.; Poletti, A. R.

    1999-09-02

    Incomplete-fusion reactions occur when breakup of the projectile results in only part of the beam particle fusing with the target, the remnant being emitted with an energy equivalent to the beam velocity. Such reactions have been demonstrated to populate slightly neutron-rich nuclei compared to conventional fusion-evaporation reactions, opening possibilities for the study of nuclei along the neutron-rich side of the line of stability. Results from a study of {sup 211}Po are presented to illustrate the use of incomplete-fusion reactions for {gamma}-ray spectroscopy. New results from a test-run which populated high-spin states in {sup 234}U via the {sup 232}Th({sup 9}Be,{alpha}3n) reaction are also presented. An interesting feature of the latter reaction is that the high fission probabilities for the compound nuclei which follow complete fusion, results in the residues from incomplete fusion forming the dominant residue channels.

  1. Incomplete DNA methylation underlies a transcriptional memory of the somatic cell in human iPS cells

    PubMed Central

    Ohi, Yuki; Qin, Han; Hong, Chibo; Blouin, Laure; Polo, Jose M.; Guo, Tingxia; Qi, Zhongxia; Downey, Sara L.; Manos, Philip D.; Rossi, Derrick J.; Yu, Jingwei; Hebrok, Matthias; Hochedlinger, Konrad; Costello, Joseph F.; Song, Jun S.; Ramalho-Santos, Miguel

    2013-01-01

    Human induced pluripotent stem (iPS) cells are remarkably similar to embryonic stem (ES) cells, but recent reports suggest that there may be important differences between them. We performed a systematic comparison of human iPS cells generated from hepatocytes (representative of endoderm), skin fibroblasts (mesoderm) and melanocytes (ectoderm). All low passage iPS cells analyzed retain a transcriptional memory of the original cells. The persistent expression of somatic genes can be partially explained by incomplete promoter DNA methylation. This epigenetic mechanism underlies a robust form of memory that can be found in iPS cells generated by multiple laboratories using different methods, including RNA transfection. Incompletely silenced genes tend to be isolated from other genes that are repressed during reprogramming, indicating that recruitment of the silencing machinery may be inefficient at isolated genes. Knockdown of the incompletely reprogrammed gene C9orf64 reduces the efficiency of human iPS cell generation, suggesting that somatic memory genes may be functionally relevant during reprogramming. PMID:21499256

  2. An Iterative Reweighted Method for Tucker Decomposition of Incomplete Tensors

    NASA Astrophysics Data System (ADS)

    Yang, Linxiao; Fang, Jun; Li, Hongbin; Zeng, Bing

    2016-09-01

    We consider the problem of low-rank decomposition of incomplete multiway tensors. Since many real-world data lie on an intrinsically low dimensional subspace, tensor low-rank decomposition with missing entries has applications in many data analysis problems such as recommender systems and image inpainting. In this paper, we focus on Tucker decomposition which represents an Nth-order tensor in terms of N factor matrices and a core tensor via multilinear operations. To exploit the underlying multilinear low-rank structure in high-dimensional datasets, we propose a group-based log-sum penalty functional to place structural sparsity over the core tensor, which leads to a compact representation with smallest core tensor. The method for Tucker decomposition is developed by iteratively minimizing a surrogate function that majorizes the original objective function, which results in an iterative reweighted process. In addition, to reduce the computational complexity, an over-relaxed monotone fast iterative shrinkage-thresholding technique is adapted and embedded in the iterative reweighted process. The proposed method is able to determine the model complexity (i.e. multilinear rank) in an automatic way. Simulation results show that the proposed algorithm offers competitive performance compared with other existing algorithms.

  3. Spectral Regularization Algorithms for Learning Large Incomplete Matrices.

    PubMed

    Mazumder, Rahul; Hastie, Trevor; Tibshirani, Robert

    2010-03-01

    We use convex relaxation techniques to provide a sequence of regularized low-rank solutions for large-scale matrix completion problems. Using the nuclear norm as a regularizer, we provide a simple and very efficient convex algorithm for minimizing the reconstruction error subject to a bound on the nuclear norm. Our algorithm Soft-Impute iteratively replaces the missing elements with those obtained from a soft-thresholded SVD. With warm starts this allows us to efficiently compute an entire regularization path of solutions on a grid of values of the regularization parameter. The computationally intensive part of our algorithm is in computing a low-rank SVD of a dense matrix. Exploiting the problem structure, we show that the task can be performed with a complexity linear in the matrix dimensions. Our semidefinite-programming algorithm is readily scalable to large matrices: for example it can obtain a rank-80 approximation of a 10(6) × 10(6) incomplete matrix with 10(5) observed entries in 2.5 hours, and can fit a rank 40 approximation to the full Netflix training set in 6.6 hours. Our methods show very good performance both in training and test error when compared to other competitive state-of-the art techniques. PMID:21552465

  4. Synesthesia in twins: incomplete concordance in monozygotes suggests extragenic factors.

    PubMed

    Bosley, Hannah G; Eagleman, David M

    2015-06-01

    Colored-sequence synesthesia (CSS) is a neurological condition in which sequential stimuli such as letters, numbers, or days of the week trigger simultaneous, involuntary color perception. Although the condition appears to run in families and several studies have sought a genetic link, the genetic contribution to synesthesia remains unclear. We conducted the first comparative twin study of CSS and found that CSS has a pairwise concordance of 73.9% in monozygotic twins, and a pairwise concordance of 36.4% in dizygotic twins. In line with previous studies, our results suggest a heritable element of synesthesia. However, consonant with the findings of previous single-pair case studies, our large sample size verifies that synesthesia is not completely conferred by genetics; if it were, monozygotic twins should have 100% concordance. These findings implicate a genetic mechanism of CSS that may work differently than previously thought: collectively, our data suggest that synesthesia is a heritable condition with incomplete penetrance that is substantially influenced by epigenetic and environmental factors. PMID:25704836

  5. Bayesian CP Factorization of Incomplete Tensors with Automatic Rank Determination.

    PubMed

    Zhao, Qibin; Zhang, Liqing; Cichocki, Andrzej

    2015-09-01

    CANDECOMP/PARAFAC (CP) tensor factorization of incomplete data is a powerful technique for tensor completion through explicitly capturing the multilinear latent factors. The existing CP algorithms require the tensor rank to be manually specified, however, the determination of tensor rank remains a challenging problem especially for CP rank . In addition, existing approaches do not take into account uncertainty information of latent factors, as well as missing entries. To address these issues, we formulate CP factorization using a hierarchical probabilistic model and employ a fully Bayesian treatment by incorporating a sparsity-inducing prior over multiple latent factors and the appropriate hyperpriors over all hyperparameters, resulting in automatic rank determination. To learn the model, we develop an efficient deterministic Bayesian inference algorithm, which scales linearly with data size. Our method is characterized as a tuning parameter-free approach, which can effectively infer underlying multilinear factors with a low-rank constraint, while also providing predictive distributions over missing entries. Extensive simulations on synthetic data illustrate the intrinsic capability of our method to recover the ground-truth of CP rank and prevent the overfitting problem, even when a large amount of entries are missing. Moreover, the results from real-world applications, including image inpainting and facial image synthesis, demonstrate that our method outperforms state-of-the-art approaches for both tensor factorization and tensor completion in terms of predictive performance. PMID:26353124

  6. Quantum Correlations from the Conditional Statistics of Incomplete Data.

    PubMed

    Sperling, J; Bartley, T J; Donati, G; Barbieri, M; Jin, X-M; Datta, A; Vogel, W; Walmsley, I A

    2016-08-19

    We study, in theory and experiment, the quantum properties of correlated light fields measured with click-counting detectors providing incomplete information on the photon statistics. We establish a correlation parameter for the conditional statistics, and we derive the corresponding nonclassicality criteria for detecting conditional quantum correlations. Classical bounds for Pearson's correlation parameter are formulated that allow us, once they are violated, to determine nonclassical correlations via the joint statistics. On the one hand, we demonstrate nonclassical correlations in terms of the joint click statistics of light produced by a parametric down-conversion source. On the other hand, we verify quantum correlations of a heralded, split single-photon state via the conditional click statistics together with a generalization to higher-order moments. We discuss the performance of the presented nonclassicality criteria to successfully discern joint and conditional quantum correlations. Remarkably, our results are obtained without making any assumptions on the response function, quantum efficiency, and dark-count rate of photodetectors. PMID:27588857

  7. Incomplete Maternal Transmission of Mitochondrial DNA in Drosophila

    PubMed Central

    Kondo, R.; Satta, Y.; Matsuura, E. T.; Ishiwa, H.; Takahata, N.; Chigusa, S. I.

    1990-01-01

    The possibility of incomplete maternal transmission of mitochondrial DNA (mtDNA) in Drosophila, previously suggested by the presence of heteroplasmy, was examined by intra- and interspecific backcrosses of Drosophila simulans and its closest relative, Drosophila mauritiana. mtDNAs of offspring in these crosses were characterized by Southern hybridization with two α-(32)P-labeled probes that are specific to paternal mtDNAs. This method could detect as little as 0.03% paternal mtDNA, if present, in a sample. Among 331 lines that had been backcrossed for ten generations, four lines from the interspecific cross D. simulans (female) X D. mauritiana (male) showed clear evidence for paternal leakage of mtDNA. In three of these the maternal type was completely replaced while the fourth was heteroplasmic. Since in this experiment the total number of fertilization is known to be 331 X 10 = 3310, the proportion of paternal mtDNA per fertilization was estimated as about 0.1%. The mechanisms and evolutionary significance for paternal leakage are discussed in light of this finding. PMID:2249764

  8. Incomplete water securitization in coupled hydro-human production sytems

    NASA Astrophysics Data System (ADS)

    van den Boom, B.; Pande, S.

    2012-04-01

    Due to the dynamics, the externalities and the contingencies involved in managing local water resource for production, the water allocation at basin-level is a subtle balance between laws of nature (gravity; flux) and laws of economics (price; productivity). We study this balance by looking at inter-temporal basin-level water resource allocations in which subbasins enjoy a certain degree of autonomy. Each subbasin is represented as an economic agent i, following a gravity ordering with i=1 representing the most upstream area and i=I the downstream boundary. The water allocation is modeled as a decentralized equilibrium in a coupled conceptual hydro-human production system. Agents i=1,2,...,I in the basin produce a composite good according to a technology that requires water as a main input and that is specific to the subbasin. Agent i manages her use Xi and her storage Si, conceptualizing surface and subsurface water, of water with the purpose of maximizing the utility derived from consumption Ci of the composite good, where Ci is a scalar and Xi and Si are vectors which are composed of one element for each time period and for each contingency. A natural way to consume the good would be to absorb the own production. Yet, the agent may have two more option, namely, she might get a social transfer from other agents or she could use an income from trading water securities with her contiguous neighbors. To study these options, we compare water allocations (Ci, Xi, Si) all i=1,2,...,I for three different settings. We look at allocations without water securitization (water autarky equilibrium EA) first. Next, we describe the imaginary case of full securitization (contingent water markets equilibrium ECM) and, in between, we study limited securitization (incomplete water security equilibrium EWS). We show that allocations under contingent water markets ECM are efficient in the sense that, for the prevailing production technologies, no other allocation exists that is at

  9. Probabilistic updating of building models using incomplete modal data

    NASA Astrophysics Data System (ADS)

    Sun, Hao; Büyüköztürk, Oral

    2016-06-01

    This paper investigates a new probabilistic strategy for Bayesian model updating using incomplete modal data. Direct mode matching between the measured and the predicted modal quantities is not required in the updating process, which is realized through model reduction. A Markov chain Monte Carlo technique with adaptive random-walk steps is proposed to draw the samples for model parameter uncertainty quantification. The iterated improved reduced system technique is employed to update the prediction error as well as to calculate the likelihood function in the sampling process. Since modal quantities are used in the model updating, modal identification is first carried out to extract the natural frequencies and mode shapes through the acceleration measurements of the structural system. The proposed algorithm is finally validated by both numerical and experimental examples: a 10-storey building with synthetic data and a 8-storey building with shaking table test data. Results illustrate that the proposed algorithm is effective and robust for parameter uncertainty quantification in probabilistic model updating of buildings.

  10. Inferring Phylogenetic Networks with Maximum Pseudolikelihood under Incomplete Lineage Sorting

    PubMed Central

    Solís-Lemus, Claudia; Ané, Cécile

    2016-01-01

    Phylogenetic networks are necessary to represent the tree of life expanded by edges to represent events such as horizontal gene transfers, hybridizations or gene flow. Not all species follow the paradigm of vertical inheritance of their genetic material. While a great deal of research has flourished into the inference of phylogenetic trees, statistical methods to infer phylogenetic networks are still limited and under development. The main disadvantage of existing methods is a lack of scalability. Here, we present a statistical method to infer phylogenetic networks from multi-locus genetic data in a pseudolikelihood framework. Our model accounts for incomplete lineage sorting through the coalescent model, and for horizontal inheritance of genes through reticulation nodes in the network. Computation of the pseudolikelihood is fast and simple, and it avoids the burdensome calculation of the full likelihood which can be intractable with many species. Moreover, estimation at the quartet-level has the added computational benefit that it is easily parallelizable. Simulation studies comparing our method to a full likelihood approach show that our pseudolikelihood approach is much faster without compromising accuracy. We applied our method to reconstruct the evolutionary relationships among swordtails and platyfishes (Xiphophorus: Poeciliidae), which is characterized by widespread hybridizations. PMID:26950302

  11. Can restoring incomplete microcirculatory reperfusion improve stroke outcome after thrombolysis?

    PubMed Central

    Dalkara, Turgay; Arsava, Ethem Murat

    2012-01-01

    Substantial experimental data and recent clinical evidence suggesting that tissue reperfusion is a better predictor of outcome after thrombolysis than recanalization necessitate that patency of microcirculation after recanalization should be reevaluated. If indeed microcirculatory blood flow cannot be sufficiently reinstituted despite complete recanalization as commonly observed in coronary circulation, it may be one of the factors contributing to low efficacy of thrombolysis in stroke. Although microvascular no-reflow is considered an irreversible process that prevents tissue recovery from injury, emerging evidence suggests that it might be reversed with pharmacological agents administered early during recanalization. Therefore, therapeutic approaches aiming at reducing microvascular obstructions may improve success rate of recanalization therapies. Importantly, promoting oxygen delivery to the tissue, where entrapped erythrocytes cannot circulate in capillaries, with ongoing serum flow may improve survival of the underreperfused tissue. Altogether, these developments bring about the exciting possibility that benefit of reperfusion therapies can be further improved by restoring microcirculatory function because survival in the penumbra critically depends on adequate blood supply. Here, we review the available evidence suggesting presence of an ‘incomplete microcirculatory reperfusion' (IMR) after focal cerebral ischemia and discuss potential means that may help investigate IMR in stroke patients after recanalization therapies despite technical limitations. PMID:23047270

  12. General Relativity Theory - Well Proven and Also Incomplete: Further Arguments

    NASA Astrophysics Data System (ADS)

    Brandes, Jürgen

    In the former article "General Relativity Theory - well proven and also incomplete?" with a few arguments it was proven that general relativity (GRT) makes contradictory predictions about the total energy of a particle resting in the gravitational field. With a few further arguments it was proven that this contradiction is resolved by expanding general relativity. General relativity is contradictious in energy questions since on one side the total energy of a particle resting in the gravitational field is lower than its rest mass (there is energy needed to pull out the particle from the gravitational field) while on the other side it is equal to its rest mass (this is a consequence of the equivalence principle). In the following article these considerations are generalized to a moving particle. A particle moving in the gravitational field has a total energy less than its rest mass times the relativistic γ-factor since there is energy needed to pull the particle out without changing its velocity. On the other side total energy of a moving particle is equal to its rest mass times the relativistic γ-factor (this is a consequence of the equivalence principle, too). This contradiction is resolved by expanding general relativity in the same manner as above. The other fact: Though it is not the aim of the author to reject general relativity but to expand it, he is treated as some uncritical anti-relativist - since the start of his considerations and meanwhile for more than 20 years.

  13. A new approach to detection of incomplete antibodies using hydrogel chromatography medium.

    PubMed

    Wang, HongMei; Chen, YeZhou; Ding, ShaoHua; Duan, ShengBao; Tian, JingJing; Meng, QingLin; Wei, ShuangShi; Li, Yong

    2015-12-01

    In assays for incomplete antibody detection, several washing steps are required to remove unbound globulins which may cause false negatives. Here, we present an improved approach employing hydrogel chromatography medium (HCM) in the detection of incomplete antibodies. After a rapid single-step centrifugation, incomplete antibodies, attached to red blood cells (RBCs), were separated from the reaction mixture using HCM and sedimentation. This method obviates the need for multiple centrifugation steps found in conventional Tube-Coombs tests. The HCM-Coombs tests may have a wide range of applications for incomplete antibody detection. PMID:26099667

  14. Molecules in the Spotlight

    SciTech Connect

    Cryan, James

    2010-01-26

    SLAC has just unveiled the world's first X-ray laser, the LCLS. This machine produces pulses of X-rays that are ten billion times brighter than those from conventional sources. One of the goals of this machine is to make movies of chemical reactions, including reactions necessary for life and reactions that might power new energy technologies. This public lecture will show the first results from the LCLS. As a first target, we have chosen nitrogen gas, the main component of the air we breathe. Using the unprecedented power of the LCLS X-rays as a blasting torch, we have created new forms of this molecule and with unique electronic arrangements. Please share with us the first insights from this new technology.

  15. Tn9 and IS1 inserts in a ribosomal ribonucleic acid operon of Escherichia coli are incompletely polar.

    PubMed Central

    Brewster, J M; Morgan, E A

    1981-01-01

    Transcription is known to be coupled to translation in many or all bacterial operons which code for proteins. In these operons, nonsense codons which prevent normal translation often result in premature termination of transcription (polarity). However, efficient transcription of ribosomal ribonucleic acid operons (rrn operons) occurs, although rrn transcripts are not translated. It therefore seemed possible that insertion sequences and transposable elements which are polar in protein-coding operons might not be polar in rrn operons. Previously, it has been shown (E. A. Morgan, Cell 21:257-265, 1980) that Tn10 is incompletely polar in the rrnX operon. Here we show that the transposon Tn9 and the insertion sequence IS1 also incompletely polar in rrnX. In normal cells expression of sequences distal to the insertions can be detected by genetic methods. In ultraviolet-irradiated cells expression of distal sequences is about 80% of that observed in uninterrupted rrnX operons. These observations provide evidence that ribonucleic acid polymerase molecules beginning at rrnX promoters can read through Tn9 and IS1 and that, at least in ultraviolet-irradiated cells, read-through is very efficient. Images PMID:6171559

  16. Photoinduced Bilayer-to-Nonbilayer Phase Transition of POPE by Photoisomerization of Added Stilbene Molecules.

    PubMed

    Nakazawa, Koyomi; Hishida, Mafumi; Nagatomo, Shigenori; Yamamura, Yasuhisa; Saito, Kazuya

    2016-08-01

    The photocontrol of a bilayer-to-nonbilayer phase transition (the liquid-crystalline Lα phase to the inverted hexagonal HII phase) of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) by the photoisomerization of incorporated stilbene molecules was examined by utilizing differential scanning calorimetry, small-angle X-ray diffraction, ultraviolet (UV)/visible absorption, and attenuated total reflectance Fourier transform infrared spectroscopies. cis-Stilbene lowered the transition temperature, Th, to a greater extent than did trans-stilbene, and the difference was at most ca. 10 °C. At temperatures higher than the Th of POPE/cis-stilbene but lower than that of POPE/trans-stilbene, the photoisomerization from the trans to the cis form of the stilbene molecules by irradiation with UV light caused a Lα-HII phase transition. The UV irradiation partially induced the HII phase at a constant temperature because of the incomplete photoisomerization of stilbene (ca. 60%). The reduction in Th by the incorporation of stilbenes was caused mainly by the reduction in the spontaneous radius of curvature of the lipid monolayer, R0. The greater bulkiness of cis-stilbene as compared to the trans form resulted in a more effective reduction in R0 and stabilization of the HII phase. PMID:27351293

  17. Accounting for Incomplete Species Detection in Fish Community Monitoring

    SciTech Connect

    McManamay, Ryan A; Orth, Dr. Donald J; Jager, Yetta

    2013-01-01

    Riverine fish assemblages are heterogeneous and very difficult to characterize with a one-size-fits-all approach to sampling. Furthermore, detecting changes in fish assemblages over time requires accounting for variation in sampling designs. We present a modeling approach that permits heterogeneous sampling by accounting for site and sampling covariates (including method) in a model-based framework for estimation (versus a sampling-based framework). We snorkeled during three surveys and electrofished during a single survey in suite of delineated habitats stratified by reach types. We developed single-species occupancy models to determine covariates influencing patch occupancy and species detection probabilities whereas community occupancy models estimated species richness in light of incomplete detections. For most species, information-theoretic criteria showed higher support for models that included patch size and reach as covariates of occupancy. In addition, models including patch size and sampling method as covariates of detection probabilities also had higher support. Detection probability estimates for snorkeling surveys were higher for larger non-benthic species whereas electrofishing was more effective at detecting smaller benthic species. The number of sites and sampling occasions required to accurately estimate occupancy varied among fish species. For rare benthic species, our results suggested that higher number of occasions, and especially the addition of electrofishing, may be required to improve detection probabilities and obtain accurate occupancy estimates. Community models suggested that richness was 41% higher than the number of species actually observed and the addition of an electrofishing survey increased estimated richness by 13%. These results can be useful to future fish assemblage monitoring efforts by informing sampling designs, such as site selection (e.g. stratifying based on patch size) and determining effort required (e.g. number of

  18. Incomplete Similarity of Internal Solitary Waves with Trapped Core

    NASA Astrophysics Data System (ADS)

    Maderych, V.; Jung, K. T.; Terletska, K.; Brovchenko, I.; Talipova, T.

    2014-12-01

    The dynamics and internal structure of internal solitary waves with trapped core propagating in a thin pycnocline near the bottom or surface for a wide range of wave amplitude and stratification are studied numerically in the frame of the Navier-Stokes equations for the laboratory and ocean scales. It is shown that the most important characteristics of the dynamics of waves are the local Froude number Frm, calculated as the ratio of the maximum local velocity to the phase velocity of the waves, the minimum Richardson number Rimin and the effective Reynolds number Reeff , defined as the ratio the product of the phase velocity c of the waves and the wave amplitude a to the kinematic viscosity. Depending on the parameter values Frm and Rimin three main classes of ISW propagating in the pycnocline layer over or under homogeneous deep layer can be identified: (i) the weakly nonlinear waves at Rimin >1, Frm < 1; (ii) the stable strongly nonlinear waves with trapped cores at Rimin 0.15 and Frm ~1.2; and (iii) the unstable strongly nonlinear waves at Rimin <0.1 and Frm ~ 1.25. On the whole, the results of experiments and numerical simulations showed complete similarity in all range of the phase velocity and wavelength at large Reeff . The experimental and computed dependence of horizontal size of the trapped core on the height of the trapped core also demonstrate self-similarity of the trapped core shape. However, incomplete similarity of Rimin is found when dependence on viscosity remains at large Reeff which implies the viscosity effect on the stability of ISW. This dependence is approximated by power law Rimin~(a / h)-1.19 Reeff -1.19. With time a wave damping occurs, thus Rimin is growing following this self-similar dependence.

  19. Exploring Massive Incomplete Lineage Sorting in Arctoids (Laurasiatheria, Carnivora).

    PubMed

    Doronina, Liliya; Churakov, Gennady; Shi, Jingjing; Brosius, Jürgen; Baertsch, Robert; Clawson, Hiram; Schmitz, Jürgen

    2015-12-01

    Freed from the competition of large raptors, Paleocene carnivores could expand their newly acquired habitats in search of prey. Such changing conditions might have led to their successful distribution and rapid radiation. Today, molecular evolutionary biologists are faced, however, with the consequences of such accelerated adaptive radiations, because they led to sequential speciation more rapidly than phylogenetic markers could be fixed. The repercussions being that current genealogies based on such markers are incongruent with species trees.Our aim was to explore such conflicting phylogenetic zones of evolution during the early arctoid radiation, especially to distinguish diagnostic from misleading phylogenetic signals, and to examine other carnivore-related speciation events. We applied a combination of high-throughput computational strategies to screen carnivore and related genomes in silico for randomly inserted retroposed elements that we then used to identify inconsistent phylogenetic patterns in the Arctoidea group, which is well known for phylogenetic discordances.Our combined retrophylogenomic and in vitro wet lab approach detected hundreds of carnivore-specific insertions, many of them confirming well-established splits or identifying and solving conflicting species distributions. Our systematic genome-wide screens for Long INterspersed Elements detected homoplasy-free markers with insertion-specific truncation points that we used to distinguish phylogenetically informative markers from conflicting signals. The results were independently confirmed by phylogenetic diagnostic Short INterspersed Elements. As statistical analysis ruled out ancestral hybridization, these doubly verified but still conflicting patterns were statistically determined to be genomic remnants from a time of ancestral incomplete lineage sorting that especially accompanied large parts of Arctoidea evolution. PMID:26337548

  20. Potential associations between chronic whiplash and incomplete spinal cord injury

    PubMed Central

    Smith, Andrew C.; Parrish, Todd B.; Hoggarth, Mark A.; McPherson, Jacob G.; Tysseling, Vicki M.; Wasielewski, Marie; Kim, Hyosub E.; Hornby, T. George; Elliott, James M.

    2016-01-01

    Study Design This research utilized a cross-sectional design with control group inclusion. Objectives Preliminary evidence suggests that a portion of the patient population with chronic whiplash may have sustained spinal cord damage. Our hypothesis is that in some cases of chronic whiplash-associated disorders (WAD), observed muscle weakness in the legs will be associated with local signs of a partial spinal cord injury of the cervical spine. Setting University based laboratory in Chicago, IL, USA. Methods Five participants with chronic WAD were compared with five gender/age/height/weight/body mass index (BMI) control participants. For a secondary investigation, the chronic WAD group was compared with five unmatched participants with motor incomplete spinal cord injury (iSCI). Spinal cord motor tract integrity was assessed using magnetization transfer imaging. Muscle fat infiltration (MFI) was quantified using fat/water separation magnetic resonance imaging. Central volitional muscle activation of the plantarflexors was assessed using a burst superimposition technique. Results We found reduced spinal cord motor tract integrity, increased MFI of the neck and lower extremity muscles and significantly impaired voluntary plantarflexor muscle activation in five participants with chronic WAD. The lower extremity structural changes and volitional weakness in chronic WAD were comparable to participants with iSCI. Conclusion The results support the position that a subset of the chronic whiplash population may have sustained partial damage to the spinal cord. Sponsorship NIH R01HD079076-01A1, NIH T32 HD057845 and the Foundation for Physical Therapy Promotion of Doctoral Studies program.

  1. Single molecule spectroscopic characterization of a far-red fluorescent protein (HcRed) from the Anthozoa coral Heteractis crispa

    NASA Astrophysics Data System (ADS)

    Cotlet, Mircea; Habuchi, Satoshi; Whitier, Jennifer E.; Werner, James H.; De Schryver, Frans C.; Hofkens, Johan; Goodwin, Peter M.

    2006-02-01

    We report on the photophysical properties of a far-red intrinsic fluorescent protein by means of single molecule and ensemble spectroscopic methods. The green fluorescent protein (GFP) from Aequorea victoria is a popular fluorescent marker with genetically encoded fluorescence and which can be fused to any biological structure without affecting its function. GFP and its variants provide emission colors from blue to yellowish green. Red intrinsic fluorescent proteins from Anthozoa species represent a recent addition to the emission color palette provided by GFPs. Red intrinsic fluorescent markers are on high demand in protein-protein interaction studies based on fluorescence-resonance energy transfer or in multicolor tracking studies or in cellular investigations where autofluorescence possesses a problem. Here we address the photophysical properties of a far-red fluorescent protein (HcRed), a mutant engineered from a chromoprotein cloned from the sea anemone Heteractis crispa, by using a combination of ensemble and single molecule spectroscopic methods. We show evidence for the presence of HcRed protein as an oligomer and for incomplete maturation of its chromophore. Incomplete maturation results in the presence of an immature (yellow) species absorbing/fluorescing at 490/530-nm. This yellow chromophore is involved in a fast resonance-energy transfer with the mature (purple) chromophore. The mature chromophore of HcRed is found to adopt two conformations, a Transoriented form absorbing and 565-nm and non-fluorescent in solution and a Cis-oriented form absorbing at 590-nm and emitting at 645-nm. These two forms co-exist in solution in thermal equilibrium. Excitation-power dependence fluorescence correlation spectroscopy of HcRed shows evidence for singlet-triplet transitions in the microseconds time scale and for cis-trans isomerization occurring in a time scale of tens of microseconds. Single molecule fluorescence data recorded from immobilized HcRed proteins, all

  2. Ring meniscus mistaken for incomplete discoid meniscus: a case report and review of literature.

    PubMed

    Pandey, Vivek; Dinesh, K V N; Acharya, Kiran K V; Rao, P Sripathi

    2010-04-01

    Ring meniscus is a known but rare abnormal variant of a meniscus. An incomplete discoid meniscus or an old bucket handle tear of a meniscus can be easily mistaken for a ring meniscus. In this case; during the first arthroscopy, the ring lateral meniscus was mistaken for an incomplete discoid lateral meniscus. On repeat arthroscopy, it was confirmed as ring lateral meniscus. PMID:19784627

  3. 31 CFR 256.14 - What happens if I submit an incomplete request for payment?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false What happens if I submit an incomplete... PAYMENTS FROM THE JUDGMENT FUND AND UNDER PRIVATE RELIEF BILLS Requesting Payments § 256.14 What happens if... that is incomplete. If a request for payment is returned for lack of necessary information,...

  4. 31 CFR 256.14 - What happens if I submit an incomplete request for payment?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false What happens if I submit an... happens if I submit an incomplete request for payment? FMS may return, without action, any request for payment that is incomplete. If a request for payment is returned for lack of necessary information,...

  5. 14 CFR 302.306 - Dismissal or rejection of incomplete applications.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 4 2013-01-01 2013-01-01 false Dismissal or rejection of incomplete... Exemption and Certain Other Proceedings § 302.306 Dismissal or rejection of incomplete applications. (a) Dismissal or rejection. The Department may dismiss or reject any application for exemption that does...

  6. 14 CFR 302.306 - Dismissal or rejection of incomplete applications.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 4 2014-01-01 2014-01-01 false Dismissal or rejection of incomplete... Exemption and Certain Other Proceedings § 302.306 Dismissal or rejection of incomplete applications. (a) Dismissal or rejection. The Department may dismiss or reject any application for exemption that does...

  7. 14 CFR 302.306 - Dismissal or rejection of incomplete applications.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 4 2011-01-01 2011-01-01 false Dismissal or rejection of incomplete... Exemption and Certain Other Proceedings § 302.306 Dismissal or rejection of incomplete applications. (a) Dismissal or rejection. The Department may dismiss or reject any application for exemption that does...

  8. 14 CFR 302.306 - Dismissal or rejection of incomplete applications.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 4 2012-01-01 2012-01-01 false Dismissal or rejection of incomplete... Exemption and Certain Other Proceedings § 302.306 Dismissal or rejection of incomplete applications. (a) Dismissal or rejection. The Department may dismiss or reject any application for exemption that does...

  9. 14 CFR 302.306 - Dismissal or rejection of incomplete applications.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Dismissal or rejection of incomplete... Exemption and Certain Other Proceedings § 302.306 Dismissal or rejection of incomplete applications. (a) Dismissal or rejection. The Department may dismiss or reject any application for exemption that does...

  10. Do You See What I See? Infants' Reasoning about Others' Incomplete Perceptions

    ERIC Educational Resources Information Center

    Luo, Yuyan; Beck, Whitney

    2010-01-01

    Twelve-month-olds realize that when an agent cannot see an object, her incomplete perceptions still guide her goal-directed actions. What would happen if the agent had incomplete perceptions because she could see only one part of the object, for example one side of a screen? In the present research, 16-month-olds were first shown an agent who…

  11. Reducing the Length of Questionnaires through Structurally Incomplete Designs: An Illustration

    ERIC Educational Resources Information Center

    Smits, Niels; Vorst, Harrie C. M.

    2007-01-01

    This paper serves as an illustration of the usefulness of structurally incomplete designs as an approach to reduce the length of educational questionnaires. In structurally incomplete test designs, respondents only fill out a subset of the total item set, while all items are still provided to the whole sample. The scores on the unadministered…

  12. Stresses in single-spar wing constructions with incompletely built-up ribs

    NASA Technical Reports Server (NTRS)

    Reinitzhuber, F

    1940-01-01

    It is shown that the force distribution resulting from incomplete ribs in single spar wing structures may be determined with the aid of the shear field method by a statistically indeterminate computation. A numerical computation is given of the force distribution of a wing structure whose two neighboring incomplete ribs with web missing in half the section are torsionally loaded.

  13. Motion compensation for electro-optical line scanner sensors using incomplete data

    NASA Astrophysics Data System (ADS)

    Power, Gregory J.

    2000-11-01

    When imaging the ground from the air, distortions can occur if the imagery was created form an electro-optical line scanner pointing to nadir and mounted on the bottom of an airborne platform. The inability of the aircraft to maintain a perfect trajectory can cause the distortions. In the worst case scenario, camera stabilizers fail, no geographical reference or navigation data is available, and the sensor periodically fails leaving incomplete data for image construction. Motion compensation can restore the images. This paper describes various distortions that can be created for an airborne nadir-aimed line scanner. A motion-compensation technique is introduced that combines multiple cues from geographical reference and navigation data as well as line-scan matched filtering. A semi- automated restoration implementation is introduced followed by the automated line-scan matched filter implementation. These various compensation techniques provide backup for each other thus creating a more efficient motion- compensation system. Even in the worst case scenario, the system continues to attempt motion compensation using an optimal line-scan matched filtering technique. The results of using this automated technique for motion compensation is demonstrated using simulated high-definition imagery and then using actual electro-optical and hyperspectral images that were obtained form the Dynamic Data Base (DDB) program sponsored by the Defense Advanced Research Projects Agency (DARPA).

  14. Incomplete Pentalogy of Cantrell--A Case Report.

    PubMed

    Ali, M A; Tazmin, T; Latif, T; Haque, S A; Hossain, M A; Islam, M N; Khan, R H; Hoque, M A

    2016-01-01

    echocardiography findings were dextroversion/dextrocardia, DILV (Double inlet left ventricle), large inlet VSD with bidirectional shunt, mild TR, severe PAH with good ventricular function. Cardiologists in India were given comment about this patient. This patient was highly risky for surgery. They advised medical treatment and requested to review after one year. By taking medical treatment patient condition is well except failure to thrive and cyanosis develops during feeding and crying according to the statement of guardian of the patient. This case has 3 criterias among the five criteria of Cantrell's Pentalogy. So, it is incomplete Pentalogy of Cantrell. PMID:26931266

  15. The effect of H2O gas on volatilities of planet-forming major elements. I - Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula

    NASA Technical Reports Server (NTRS)

    Hashimoto, Akihiko

    1992-01-01

    The vapor pressures of Ca(OH)2(g), Al(OH)3(g), and Si(OH)4(g) molecules in equilibrium with solid calcium-, aluminum, and silicon-oxides, respectively, were determined, and were used to derive the heats of formation and entropies of these species, which are expected to be abundant under the currently postulated physical conditions in the primordial solar nebula. These data, in conjunction with thermodynamic data from literature, were used to calculate the relative abundances of M, MO(x), and M(OH)n gas species and relative volatilities of Fe, Mg, Si, Ca, and Al for ranges of temperature, total pressure, and H/O abundance ratio corresponding to the plausible ranges of physical conditions in the solar nebula. The results are used to explain how Ca and Al could have evaporated from Ca,Al-rich inclusions in carbonaceous chondrites, while Si, Mg, and Fe condensed onto them during the preaccretion alteration of CAIs.

  16. Structural Analysis of H2-Db Class I Molecules Containing Two Different Allelic Forms of the type 1 Diabetes Susceptibility Factor beta-2 Microglobulin: Implications for the Mechanism Underlying Viriations in Antigen Presentation

    SciTech Connect

    Roden,M.; Brims, D.; Fedorov, A.; DiLorenzo, T.; Almo, S.; Nathenson, s.; Anovitz, L.; Wesolowski, D.

    2006-01-01

    Beta-2 microglobulin ({beta}2m) is a member of the immunoglobulin-like domain superfamily that is an essential structural subunit of the MHC class I (MHC-I) molecule. {beta}2m was previously identified as a susceptibility factor for the development of type 1 diabetes (T1D) in NOD mice, whereby transgenic expression of the {beta}2m{sup a} variant, but not the {beta}2mb variant, restored diabetes susceptibility to normally resistant NOD.{beta}2m{sup null} mice. Here we report the crystal structures and thermodynamic stabilities of the NOD MHC-I molecule H2-D{sup b} containing these two variants. Our results reveal subtle differences in the structures of the {beta}2m variants, namely in minor loop shifts and in variations in the hydrogen bonding networks at the interfaces between the components of the ternary complex. We also demonstrate that the thermodynamic stabilities of the {beta}2m variants in isolation differ. However, the conformation of the peptide in the MHC cleft is unchanged in {beta}2m allelic Db complexes, as are the TCR recognition surfaces. Thus, despite modest structural differences between allelic complexes, the evidence indicates that D{sup b} peptide presentation of the representative peptide is unchanged in the context of either {beta}2m allelic variant. These data suggest that other mechanisms, such as differential association of MHC-I in multiprotein complexes, are likely responsible for the effect of {beta}2m on T1D development.

  17. Spectroscopic modeling of water molecule

    NASA Astrophysics Data System (ADS)

    Danylo, R. I.; Okhrimenko, B. A.

    2013-12-01

    This research is devoted to the vibrational spectroscopy inverse problem solution that gives a possibility to design a molecule and make conclusions about its geometry. The valence angle finding based on the usage of inverse spectral vibrational spectroscopy problem is a well-known task. 3N-matrix method was chosen to solve the proposed task. The usage of this method permits to make no assumptions about the molecule force field, besides it can be applied to molecules of matter in liquid state. Anharmonicity constants assessment is an important part of the valence angle finding. The reduction to zero vibrations is necessary because used matrix analytical expression were found in the harmonic approach. In order to find the single-valued inverse spectral problem of vibrational spectroscopy solution a shape parameter characterizing "mixing" of ω1 and ω2 vibrations forms must be found. The minimum of such a function Υ called a divergence parameter was found. This function characterizes method's accuracy. The valence angle assessment was reduced to the divergence parameter minimization. The β value concerning divergence parameter minimum was interpreted as the desired valence angle. The proposed method was applied for water molecule in liquid state: β = (88,8 ±1,7)° . The found angle fits the water molecule nearest surrounding tetrahedral model including hydrogen bond curvature in the first approximation.

  18. Influence of incomplete fusion on complete fusion: Observation of a large incomplete fusion fraction at E {approx_equal}5-7 MeV/nucleon

    SciTech Connect

    Singh, Pushpendra P.; Singh, B. P.; Sharma, Manoj Kumar; Unnati,; Singh, Devendra P.; Prasad, R.; Kumar, Rakesh; Golda, K. S.

    2008-01-15

    Experiments have been carried out to explore the reaction dynamics leading to incomplete fusion of heavy ions at moderate excitation energies. Excitation functions for {sup 168}Lu{sup m}, {sup 167}Lu, {sup 167}Yb, {sup 166}Tm, {sup 179}Re, {sup 177}Re, {sup 177}W, {sup 178}Ta, and {sup 177}Hf radio-nuclides populated via complete and/or incomplete fusion of {sup 16}O with {sup 159}Tb and {sup 169}Tm have been studied over the wide projectile energy range E{sub proj}{approx_equal}75-95 MeV. Recoil-catcher technique followed by off-line {gamma}-spectrometry has been employed in the present measurements. Experimental data have been compared with the predictions of theoretical model code PACE2. The experimentally measured production cross sections of {alpha}-emitting channels were found to be larger as compared to the theoretical model predictions and may be attributed to incomplete fusion at these energies. During the analysis of experimental data, incomplete fusion has been found to be competing with complete fusion. As such, an attempt has been made to estimate the incomplete fusion fraction for both the systems, and has been found to be sensitive for projectile energy and mass asymmetry of interacting partners.

  19. Production and Trapping of Ultracold Polar Molecules

    SciTech Connect

    David, DeMille

    2015-04-21

    We report a set of experiments aimed at the production and trapping of ultracold polar molecules. We begin with samples of laser-cooled and trapped Rb and Cs atoms, and bind them together to form polar RbCs molecules. The binding is accomplished via photoassociation, which uses a laser to catalyze the sticking process. We report results from investigation of a new pathway for photoassociation that can produce molecules in their absolute ground state of vibrational and rotational motion. We also report preliminary observations of collisions between these ground-state molecules and co-trapped atoms.

  20. Giant molecules composed of polar molecules and atoms in mixed dimensions

    NASA Astrophysics Data System (ADS)

    Qi, Ran; Tan, Shina

    2014-05-01

    Two or three polar molecules, confined to one or two dimensions, can form stable bound states with a single atom living in three dimensions, if the molecule and the atom can interact resonantly such that their mixed dimensional scattering length is large. We call these bound states ``giant molecules'' since it's a molecule composed of smaller molecules and atoms. We study their properties using techniques including exact numerical solution, exact qunatum diffusion Monte Carlo (QMC), Born-Oppenheimer approximation (BOA), and semiclassical approximation. These bound states have a hierarchical structure reminiscent of the celestial systems.

  1. Phononic Molecules Studied by Raman Scattering

    SciTech Connect

    Lanzillotti-Kimura, N. D.; Fainstein, A.; Jusserand, B.; Lemaitre, A.

    2010-01-04

    An acoustic nanocavity can confine phonons in such a way that they act like electrons in an atom. By combining two of these phononic-atoms, it is possible to form a phononic 'molecule', with acoustic modes that are similar to the electronic states in a hydrogen molecule. We report Raman scattering experiments performed in a monolithic structure formed by a phononic molecule embedded in an optical cavity. The acoustic mode splitting becomes evident through both the amplification and change of selection rules induced by the optical cavity confinement. The results are in perfect agreement with photoelastic model simulations.

  2. Medical treatments for incomplete miscarriage (less than 24 weeks)

    PubMed Central

    Neilson, James P; Gyte, Gillian ML; Hickey, Martha; Vazquez, Juan C; Dou, Lixia

    2014-01-01

    Background Miscarriage occurs in 10% to 15% of pregnancies. The traditional treatment, after miscarriage, has been to perform surgery to remove any remaining pregnancy tissues in the uterus. However, it has been suggested that drug-based medical treatments, or expectant care (no treatment), may also be effective, safe and acceptable. Objectives To assess the effectiveness, safety and acceptability of any medical treatment for early incomplete miscarriage (before 24 weeks). Search methods We searched the Cochrane Pregnancy and Childbirth Group’s Trials Register (September 2009) and reference lists of retrieved papers. We updated this search on 23 July 2012 and added the results to the awaiting classification section of the review. Selection criteria Randomised controlled trials comparing medical treatment with expectant care or surgery. Quasi-randomised trials were excluded. Data collection and analysis Two authors independently assessed the studies for inclusion, assessed risk of bias and carried out data extraction. Data entry was checked. Main results Fifteen studies (2750 women) were included, there were no studies on women over 13 weeks’ gestation. Studies addressed a number of comparisons and data are therefore limited. Three trials compared misoprostol treatment (all vaginally administered) with expectant care. There was no significant difference in complete miscarriage (average risk ratio (RR) 1.23, 95% confidence interval (CI) 0.72 to 2.10; two studies, 150 women), or in the need for surgical evacuation (average RR 0.62, 95% CI 0.17 to 2.26; two studies, 308 women). There were few data on ‘deaths or serious complications’. Nine studies involving 1766 women addressed the comparison of misoprostol (four oral, four vaginal, one vaginal + oral) with surgical evacuation. There was no statistically significant difference in complete miscarriage (average RR 0.96, 95% CI 0.92 to 1.00, eight studies, 1377 women) with success rate high for both methods

  3. The Incomplete Impact Record and Implications for Ice Core Studies

    NASA Astrophysics Data System (ADS)

    Bay, R. C.; Rohde, R. A.; Price, P. B.

    2007-12-01

    The impact risk is extremely uncertain for objects of order 0.1-1 km diameter, with kinetic energies in the range 100 to 1 million Mt (megaton TNT ~ 4×1015 J) and recurrence times estimated in thousands to many tens of thousands of years. Millennial timescales are especially interesting, since the character of explosions (e.g. impacts, large volcanic eruptions) that only occur every 103 to 104 years lies just beyond the reckoning of modern cultural history. The impact rate predicted for the Earth based on observing nearby objects is much higher than the endemic rate estimated by counting known craters on Earth's surface. We have examined the latest account of confirmed craters from the Earth Impact Database (http://www.unb.ca/passc/ImpactDatabase/) over the last 100 Ma. The cratering record contains a large gap between 35 and 5 Ma, during which the apparent impact rate drops by an order of magnitude. The gap occurs during a period of substantial climate change, notably the initiation of large scale permanent glaciers, based on climate proxies from deep-sea sediment cores. A likely partial explanation is that climate change eroded or precluded crater formation in the recent geologic past. Taken together with constraints from inner solar system cratering and observations of near earth objects, the apparent gap in crater formation suggests that the terrestrial impact record is grossly incomplete over timescales much shorter than 100 Ma. If the true impact rate is more commensurate with the higher rates inferred from the local planetary environment, then some of the explosive fallout layers now observed in ice cores may actually be the result of recent impacts rather than volcanic eruptions. Like very large eruptions, impact ejecta are likely to be widely distributed, since impactors disrupt all levels of the atmosphere and generate ballistic debris and vapor plumes that can rise above the stratosphere. Polar ice core records of the last ~50-100 ka have become

  4. Estimation from incomplete multinomial data. Ph.D. Thesis - Harvard Univ.

    NASA Technical Reports Server (NTRS)

    Credeur, K. R.

    1978-01-01

    The vector of multinomial cell probabilities was estimated from incomplete data, incomplete in that it contains partially classified observations. Each such partially classified observation was observed to fall in one of two or more selected categories but was not classified further into a single category. The data were assumed to be incomplete at random. The estimation criterion was minimization of risk for quadratic loss. The estimators were the classical maximum likelihood estimate, the Bayesian posterior mode, and the posterior mean. An approximation was developed for the posterior mean. The Dirichlet, the conjugate prior for the multinomial distribution, was assumed for the prior distribution.

  5. Isomer ratio measurements as a probe of the dynamics of breakup and incomplete fusion

    SciTech Connect

    Gasques, L. R.; Dasgupta, M.; Hinde, D. J.; Peatey, T.; Diaz-Torres, A.; Newton, J. O.

    2006-12-15

    The incomplete fusion mechanism following breakup of {sup 6,7}Li and {sup 9}Be projectiles incident on targets of {sup 209}Bi and {sup 208}Pb is investigated through isomer ratio measurements for the {sup 212}At and {sup 211}Po products. The phenomenological analysis presented in this paper indicates that incomplete fusion brings relatively more angular momentum into the system than equivalent reactions with a direct beam of the fused fragment. This is attributed to the trajectories of breakup fragments. Calculations with a 3D classical trajectory model support this. Isomer ratio measurements for incomplete fusion reactions can provide a test of new theoretical models of breakup and fusion.

  6. IRON-60 HETEROGENEITY AND INCOMPLETE ISOTOPE MIXING IN THE EARLY SOLAR SYSTEM

    SciTech Connect

    Quitte, Ghylaine; Markowski, Agnes; Latkoczy, Christopher; Gabriel, Aron; Pack, Andreas

    2010-09-10

    Short-lived radionuclides (e.g., {sup 26}Al, {sup 53}Mn, {sup 60}Fe, {sup 182}Hf) are widely used to refine the chronology of the early solar system. They provide chronological information, however, only if they were homogeneously distributed in the source region of the objects under scrutiny at the time of their formation. With the high level of precision now achieved on isotopic measurements, very short time intervals can in principle be resolved and a precise evaluation of the initial homogeneity degree becomes increasingly crucial. High-precision nickel isotope data for differentiated meteorites (angrites, ureilites) and chondritic (CB) components allow us to test the initial distribution of radioactive {sup 60}Fe and stable Ni isotopes. Although these meteorites appear to have formed nearly contemporaneously, they yield variable initial {sup 60}Fe/{sup 56}Fe ratios. Besides, the CB metal nodules and ureilite silicates show nucleosynthetic anomalies. The new data presented here do not confirm the recently inferred late injection of {sup 60}Fe into the protoplanetary disk. Instead, live {sup 60}Fe was present, but heterogeneously distributed, from the start of the solar system, revealing an incomplete mixing of material from various nucleosynthetic sources and restricting the use of the {sup 60}Fe-{sup 60}Ni system as a chronometer.

  7. Complete and incomplete fusion reactions in the {sup 16}O+{sup 169}Tm system: Excitation functions and recoil range distributions

    SciTech Connect

    Sharma, Manoj Kumar; Unnati,; Sharma, B.K.; Singh, B.P.; Prasad, R.; Bhardwaj, H.D.; Kumar, Rakesh; Golda, K.S.

    2004-10-01

    With the view to study complete and incomplete fusion in heavy ion induced reactions, experiments have been carried out for measuring excitation functions for several reactions in the system {sup 16}O+{sup 169}Tm at energies near the Coulomb barrier to well above it, using an activation technique. The measured excitation functions have been compared with those calculated theoretically using three different computer codes viz., ALICE-91, CASCADE and PACE2. The enhancement of experimentally measured cross sections for alpha emission channels over their theoretical prediction has been attributed to the fact that these residues are formed not only by complete fusion but also through incomplete fusion. In order to separate out the relative contributions of complete and incomplete fusion, the recoil range distributions of eight residues produced in the interaction of {sup 16}O with {sup 169}Tm at {approx_equal}87 MeV have been measured. The recoil range distributions indicate significant contributions from incomplete fusion at {approx_equal}87 MeV for some of the channels.

  8. Strains caused by daily loading might be responsible for delayed healing of an incomplete atypical femoral fracture.

    PubMed

    Gustafsson, Anna; Schilcher, Jörg; Grassi, Lorenzo; Aspenberg, Per; Isaksson, Hanna

    2016-07-01

    Atypical femoral fractures are insufficiency fractures in the lateral femoral diaphysis or subtrochanteric region that mainly affect older patients on bisphosphonate therapy. Delayed healing is often seen in patients with incomplete fractures (cracks), and histology of bone biopsies shows mainly necrotic material inside the crack. We hypothesized that the magnitude of the strains produced in the soft tissue inside the crack during normal walk exceeds the limit for new bone formation, and thereby inhibit healing. A patient specific finite element model was developed, based on clinical CT images and high resolution μCT images of a biopsy from the crack site. Strain distributions in the femur and inside the crack were calculated for load cases representing normal walk. The models predicted large strains inside the crack, with strain levels above 10% in more than three quarters of the crack volume. According to two different tissue differentiation theories, bone would only form in less than 1-5% of the crack volume. This can explain the impaired healing generally seen in incomplete atypical fractures. Furthermore, the microgeometry of the crack highly influenced the strain distributions. Hence, a realistic microgeometry needs to be considered when modeling the crack. Histology of the biopsy showed signs of remodeling in the bone tissue adjacent to the fracture line, while the crack itself contained mainly necrotic material and signs of healing only in portions that seemed to have been widened by resorption. In conclusion, the poor healing capacity of incomplete atypical femoral fractures can be explained by biomechanical factors, and daily low impact activities are enough to cause strain magnitudes that prohibit bone formation. PMID:27113528

  9. Reactions of oriented molecules.

    PubMed

    Brooks, P R

    1976-07-01

    Beams of oriented molecules have been used to directly study geometrical requirements in chemical reactions. These studies have shown that reactivity is much greater in some orientations than others and demonstrated the existence of steric effects. For some reactions portions of the orientation results are in good accord with traditional views of steric hindrance, but for others it is clear that our chemical intuition needs recalibrating. Indeed, the information gained from simultaneously orienting the reactants and observing the scattering angle of the products may lead to new insights about the detailed mechanism of certain reactions. Further work must be done to extend the scope and detail of the studies described here. More detailed information is needed on the CH(3)I reaction and the CF(3)I reaction. The effects of alkyl groups of various sizes and alkali metals of various sizes are of interest. In addition, reactions where a long-lived complex is formed should be studied to see if orientation is important. Finally, it would be of interest to apply the technique to the sort of reactions that led to our interest in the first place: the S(N)2 displacements in alkyl halides where the fascinating Walden inversion occurs. PMID:17793988

  10. EMISSIONS OF POLYCHLORINATED BIPHENYLS AS PRODUCTS OF INCOMPLETE COMBUSTION FROM INCINERATORS

    EPA Science Inventory

    The paper discusses emissions of polychlorinated biphenyls (PCBs) as products of incomplete combustion from incinerators. PCBs were used widely as industrial chemicals, particularly as additives in electrical transformer cooling oil. Growing evidence of PCBs' role as a persistent...

  11. Spin-distribution measurement: A sensitive probe for incomplete fusion dynamics

    SciTech Connect

    Singh, Pushpendra P.; Singh, B. P.; Sharma, Manoj Kumar; Unnati,; Singh, D.; Ansari, M. A.; Prasad, R.; Kumar, R.; Golda, K. S.; Singh, R. P.; Muralithar, S.; Bhowmik, R. K.

    2008-07-15

    Spin distributions of various reaction products populated via complete and/or incomplete fusion of {sup 16}O with {sup 169}Tm have been measured at projectile energy {approx_equal}5.6 MeV/nucleon. Particle (Z=1,2) {gamma}-coincidences have been employed to achieve the information about involved reaction modes on the basis of their entry state spin populations. The experimentally measured spin distributions for incomplete fusion products have been found to be distinctly different than those observed for complete fusion products. The driving input angular momenta associated with incomplete fusion products have been found to be relatively higher than complete fusion products, and increases with direct {alpha}-multiplicity. It has also been observed that incomplete fusion products are less fed and/or the population of lower spin states are strongly hindered, while complete fusion products indicating strong feeding over a broad spin range.

  12. SAMPLING AND ANALYSIS EXPERIMENTS FOR IMPROVED CHARACTERIZATION OF PRODUCTS OF INCOMPLETE COMBUSTION

    EPA Science Inventory

    Laboratory and field experiments were conducted to evaluate the Volatile Organic Sampling Train (VOST) methodology for the sampling and analysis of products of incomplete combustion (PICs). ilot-scale incinerator was used to incinerate several volatile chlorinated organic compoun...

  13. The incomplete inverse and its applications to the linear least squares problem

    NASA Technical Reports Server (NTRS)

    Morduch, G. E.

    1977-01-01

    A modified matrix product is explained, and it is shown that this product defiles a group whose inverse is called the incomplete inverse. It was proven that the incomplete inverse of an augmented normal matrix includes all the quantities associated with the least squares solution. An answer is provided to the problem that occurs when the data residuals are too large and when insufficient data to justify augmenting the model are available.

  14. Incomplete Augmented Lagrangian Preconditioner for Steady Incompressible Navier-Stokes Equations

    PubMed Central

    Tan, Ning-Bo; Huang, Ting-Zhu; Hu, Ze-Jun

    2013-01-01

    An incomplete augmented Lagrangian preconditioner, for the steady incompressible Navier-Stokes equations discretized by stable finite elements, is proposed. The eigenvalues of the preconditioned matrix are analyzed. Numerical experiments show that the incomplete augmented Lagrangian-based preconditioner proposed is very robust and performs quite well by the Picard linearization or the Newton linearization over a wide range of values of the viscosity on both uniform and stretched grids. PMID:24235888

  15. Incomplete augmented Lagrangian preconditioner for steady incompressible Navier-Stokes equations.

    PubMed

    Tan, Ning-Bo; Huang, Ting-Zhu; Hu, Ze-Jun

    2013-01-01

    An incomplete augmented Lagrangian preconditioner, for the steady incompressible Navier-Stokes equations discretized by stable finite elements, is proposed. The eigenvalues of the preconditioned matrix are analyzed. Numerical experiments show that the incomplete augmented Lagrangian-based preconditioner proposed is very robust and performs quite well by the Picard linearization or the Newton linearization over a wide range of values of the viscosity on both uniform and stretched grids. PMID:24235888

  16. Bridging the gap: a reticulo-propriospinal detour bypassing an incomplete spinal cord injury.

    PubMed

    Filli, Linard; Engmann, Anne Katrin; Zörner, Björn; Weinmann, Oliver; Moraitis, Timoleon; Gullo, Miriam; Kasper, Hansjörg; Schneider, Regula; Schwab, Martin E

    2014-10-01

    Anatomically incomplete spinal cord injuries are often followed by considerable functional recovery in patients and animal models, largely because of processes of neuronal plasticity. In contrast to the corticospinal system, where sprouting of fibers and rearrangements of circuits in response to lesions have been well studied, structural adaptations within descending brainstem pathways and intraspinal networks are poorly investigated, despite the recognized physiological significance of these systems across species. In the present study, spontaneous neuroanatomical plasticity of severed bulbospinal systems and propriospinal neurons was investigated following unilateral C4 spinal hemisection in adult rats. Injection of retrograde tracer into the ipsilesional segments C3-C4 revealed a specific increase in the projection from the ipsilesional gigantocellular reticular nucleus in response to the injury. Substantial regenerative fiber sprouting of reticulospinal axons above the injury site was demonstrated by anterograde tracing. Regrowing reticulospinal fibers exhibited excitatory, vGLUT2-positive varicosities, indicating their synaptic integration into spinal networks. Reticulospinal fibers formed close appositions onto descending, double-midline crossing C3-C4 propriospinal neurons, which crossed the lesion site in the intact half of the spinal cord and recrossed to the denervated cervical hemicord below the injury. These propriospinal projections around the lesion were significantly enhanced after injury. Our results suggest that severed reticulospinal fibers, which are part of the phylogenetically oldest motor command system, spontaneously arborize and form contacts onto a plastic propriospinal relay, thereby bypassing the lesion. These rearrangements were accompanied by substantial locomotor recovery, implying a potential physiological relevance of the detour in restoration of motor function after spinal injury. PMID:25274818

  17. Cost-effectiveness of one- and two-step incomplete and complete excavations.

    PubMed

    Schwendicke, F; Stolpe, M; Meyer-Lueckel, H; Paris, S; Dörfer, C E

    2013-10-01

    The treatment of deep caries lesions carries significant risks for the integrity of the pulp and often initiates a cascade of re-interventions. Incomplete caries removal may reduce these risks and avoid or delay re-treatment. The present study analyzed the cost-effectiveness of one- and two-step incomplete as well as complete excavations. We used Markov models to simulate treatment of a molar tooth with a deep caries lesion in a 15-year-old patient. Retention of the tooth and its vitality as effectiveness measures as well as accruing costs were analyzed over the patient's lifetime. The model adopted a public-private-payer perspective within German health care. Transition probabilities were calculated based on literature reviews. Monte-Carlo microsimulations were performed with 6-month cycles. One-step incomplete excavation resulted in lower long-term costs and in longer-retained teeth and their vitality (means: 53.5 and 41.0 yrs) compared with two-step incomplete (52.5 and 37.5 yrs) and complete excavations (49.5 and 31.0 yrs), and dominated the other strategies in 70% to 100% of simulations. Regardless of the assumed willingness-to-pay ceiling value, one-step incomplete excavation had the highest probability of being cost-effective. Despite limited evidence levels of input data, we expect one-step incomplete excavation to reduce costs while retaining deeply carious teeth and their vitality for longer. PMID:23945975

  18. Estimate of true incomplete exchanges using fluorescence in situ hybridization with telomere probes

    NASA Technical Reports Server (NTRS)

    Wu, H.; George, K.; Yang, T. C.

    1998-01-01

    PURPOSE: To study the frequency of true incomplete exchanges in radiation-induced chromosome aberrations. MATERIALS AND METHODS: Human lymphocytes were exposed to 2 Gy and 5 Gy of gamma-rays. Chromosome aberrations were studied using the fluorescence in situ hybridization (FISH) technique with whole chromosome-specific probes, together with human telomere probes. Chromosomes 2 and 4 were chosen in the present study. RESULTS: The percentage of incomplete exchanges was 27% when telomere signals were not considered. After excluding false incomplete exchanges identified by the telomere signals, the percentage of incomplete exchanges decreased to 11%. Since telomere signals appear on about 82% of the telomeres, the percentage of true incomplete exchanges should be even lower and was estimated to be 3%. This percentage was similar for chromosomes 2 and 4 and for doses of both 2 Gy and 5 Gy. CONCLUSIONS: The percentage of true incomplete exchanges is significantly lower in gamma-irradiated human lymphocytes than the frequencies reported in the literature.

  19. Electron microscopy of low iodinated thyroglobulin molecules.

    PubMed

    Berg, G; Ekholm, R

    1975-04-29

    Thyroglobulin molecules were studied in the electron microscope with negative staining technique. In a first series of experiments samples of thyroglobulin varying in iodine content from 0.5 to 0.03% were prepared from the thyroids of mice and rats kept on iodine-poor diets. All samples contained thyroglobulin molecules of the normal ovoid shape, not deviating in size or shape from molecules obtained from normal thyroids. However, in addition, another type of molecule having a cylindrical shape was observed in all samples. The proportion of these cylindrical molecules increased from a few per cent in the moderately iodine-poor thyroglobulin samples to more than 80% in the highly iodine-deficient thyroglobulin (0.03%). In a second series of experiments extremely iodine-poor thyroglobulin (smaller than 0.005%) was obtained from propylthiouracil-treated rats. In these preparations practically all molecules had a cylindrical shape. These samples also contained smaller particles interpreted to be dissociation products. The cylindrical molecules were of two types, one appearing compact and measuring 250 times 135 A (length times diameter) and the other appearing porous and having a length of 145 and a diameter of 205 A. It is concluded that the cylindrical molecules represent non- or low-iodinated thyroglobulin and it is suggested that the porous cylindrical molecule is an unfolded form of the compact cylinder. PMID:1138879

  20. Complete and incomplete intestinal metaplasia at the oesophagogastric junction: prevalences and associations with endoscopic erosive oesophagitis and gastritis

    PubMed Central

    Voutilainen, M; Farkkila, M; Juhola, M; Mecklin, J; Sipponen, P; The, C

    1999-01-01

    , junctional complete IM was strongly associated with chronic cardia inflammation and cardia H pylori infection (p<0.001).
CONCLUSIONS—Both complete and incomplete junctional IM are independent acquired lesions that increase in prevalence with age. Although IM subtypes often occur simultaneously, they show remarkable differences in their associations with gastritis and erosive oesophagitis: junctional complete IM is a manifestation of multifocal atrophic gastritis, while the incomplete form (SCE) may result from carditis and gastro-oesophageal reflux disease. The frequency of dysplasia in intestinal metaplasia at the oesophagogastric junction appears to be low.


Keywords: intestinal metaplasia; oesophagogastric junction; oesophagitis; gastritis; gastro-oesophageal reflux disease; Helicobacter pylori PMID:10517897

  1. Enzymatic DNA molecules

    NASA Technical Reports Server (NTRS)

    Joyce, Gerald F. (Inventor); Breaker, Ronald R. (Inventor)

    1998-01-01

    The present invention discloses deoxyribonucleic acid enzymes--catalytic or enzymatic DNA molecules--capable of cleaving nucleic acid sequences or molecules, particularly RNA, in a site-specific manner, as well as compositions including same. Methods of making and using the disclosed enzymes and compositions are also disclosed.

  2. Adhesion molecules and receptors

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Adhesion molecules are necessary for leukocyte trafficking and differentiation. They serve to initiate cell-cell interactions under conditions of shear, and they sustain the cell-cell and cell-matrix interactions needed for cellular locomotion. They also can serve directly as signaling molecules act...

  3. Molecules between the Stars.

    ERIC Educational Resources Information Center

    Verschuur, Gerrit L.

    1987-01-01

    Provides a listing of molecules discovered to date in the vast interstellar clouds of dust and gas. Emphasizes the recent discoveries of organic molecules. Discusses molecular spectral lines, MASERs (microwave amplification by stimulated emission of radiation), molecular clouds, and star birth. (TW)

  4. Conjugate and method for forming aminomethyl phosphorus conjugates

    DOEpatents

    Katti, Kattesh V.; Berning, Douglas E.; Volkert, Wynn A.; Ketring, Alan R.; Churchill, Robert

    1999-01-01

    A method of forming phosphine-amine conjugates includes reacting a hydroxymethyl phosphine group of an amine-free first molecule with at least one free amine group of a second molecule to covalently bond the first molecule with the second molecule through an aminomethyl phosphorus linkage and the conjugates formed thereby.

  5. Structural model updating using incomplete transfer function of strain data

    NASA Astrophysics Data System (ADS)

    Esfandiari, A.

    2014-08-01

    In this paper a model updating algorithm is presented to estimate structural parameters at the element level utilizing frequency domain representation of the strain data. Sensitivity equations for mass and stiffness parameters estimation are derived using decomposed form of the strain-based transfer functions. The rate of changes of eigenvectors and a subset of measured natural frequencies are used to assemble the sensitivity equation of the strain-based transfer function. Solution of the derived sensitivity equations through the least square method resulted in a robust parameters estimation method. Numerical examples using simulated noise polluted data of 2D truss and frame models confirm that the proposed method is able to successfully update structural models even in the presence of mass modeling errors.

  6. Chemical principles of single-molecule electronics

    NASA Astrophysics Data System (ADS)

    Su, Timothy A.; Neupane, Madhav; Steigerwald, Michael L.; Venkataraman, Latha; Nuckolls, Colin

    2016-03-01

    The field of single-molecule electronics harnesses expertise from engineering, physics and chemistry to realize circuit elements at the limit of miniaturization; it is a subfield of nanoelectronics in which the electronic components are single molecules. In this Review, we survey the field from a chemical perspective and discuss the structure-property relationships of the three components that form a single-molecule junction: the anchor, the electrode and the molecular bridge. The spatial orientation and electronic coupling between each component profoundly affect the conductance properties and functions of the single-molecule device. We describe the design principles of the anchor group, the influence of the electronic configuration of the electrode and the effect of manipulating the structure of the molecular backbone and of its substituent groups. We discuss single-molecule conductance switches as well as the phenomenon of quantum interference and then trace their fundamental roots back to chemical principles.

  7. Superresolution Imaging using Single-Molecule Localization

    PubMed Central

    Patterson, George; Davidson, Michael; Manley, Suliana; Lippincott-Schwartz, Jennifer

    2013-01-01

    Superresolution imaging is a rapidly emerging new field of microscopy that dramatically improves the spatial resolution of light microscopy by over an order of magnitude (∼10–20-nm resolution), allowing biological processes to be described at the molecular scale. Here, we discuss a form of superresolution microscopy based on the controlled activation and sampling of sparse subsets of photoconvertible fluorescent molecules. In this single-molecule based imaging approach, a wide variety of probes have proved valuable, ranging from genetically encodable photoactivatable fluorescent proteins to photoswitchable cyanine dyes. These have been used in diverse applications of superresolution imaging: from three-dimensional, multicolor molecule localization to tracking of nanometric structures and molecules in living cells. Single-molecule-based superresolution imaging thus offers exciting possibilities for obtaining molecular-scale information on biological events occurring at variable timescales. PMID:20055680

  8. Layered Molecule-Based Magnets Formed by Decamethylmetallocenium Cations and Two-Dimensional Bimetallic Complexes [ MIIRu III(ox) 3] -( MII=;Mn, Fe, Co, Cu and Zn; ox=oxalate)

    NASA Astrophysics Data System (ADS)

    Coronado, Eugenio; Galán-Mascarós, José R.; Gómez-García, Carlos J.; Martínez-Agudo, José M.; Martínez-Ferrero, Eugenia; Waerenborgh, Joao C.; Almeida, Manuel

    2001-07-01

    A new series of hybrid organometallic-inorganic layered magnets with formula [ZIIICp*2] [MIIRuIII(ox)3] (ZIII=Co and Fe; MII=Mn, Fe, Co, Cu, and Zn; ox=oxalate: Cp*=pentamethylcyclopentadienyl) has been prepared. All of these compounds are isostructural to the previously reported [ZIIICp*2] [MIIMIII(ox)3] (MIII=Cr, Fe) series and crystallize in the monoclinic space group C2/m, as found by powder X-ray diffraction analysis. They are novel examples of magnetic materials formed by bimetallic oxalate-based extended layers separated by layers of organometallic cations. The magnetic properties of all these compounds have been investigated (ac and dc magnetic susceptibilities and field dependence of the isothermal magnetization at 2 K). In particular, it has been found that FeII and CoII derivatives behave as magnets with ordering temperatures of 12.8 and 2.8 K, respectively, while no long-range magnetic ordering has been detected down to 2 K in the MnII and CuII derivatives. The magnetic ordering in the FeII derivatives has been confirmed through Mössbauer spectroscopy. This technique has also made it possible to observe the spin polarization of the paramagnetic [FeCp*2]+ units caused by the internal magnetic field created by the bimetallic layers in the ordered state.

  9. Do triatomic molecules echo atomic periodicity?

    SciTech Connect

    Hefferlin, R. Barrow, J.

    2015-03-30

    Demonstrations of periodicity among triatomic-molecular spectroscopic constants underscore the role of the periodic law as a foundation of chemistry. The objective of this work is to prepare for another test using vibration frequencies ν{sub 1} of free, ground-state, main-group triatomic molecules. Using data from four data bases and from computation, we have collected ν{sub 1} data for molecules formed from second period atoms.

  10. Ultralong-range polyatomic Rydberg molecules

    NASA Astrophysics Data System (ADS)

    Gonzalez-Ferez, Rosario

    2016-05-01

    Ultralong-range polyatomic Rydberg molecules are formed when a ground-state atom is bound to a Rydberg atom. The binding mechanism of these Rydberg molecules is based on the low-energy collisions between a Rydberg electron and a ground-state atom and leads to the unusual oscillatory behavior of the adiabatic potential energy curves. If the ground-state atom immersed into the Rydberg wave function is replaced by a heteronuclear diatomic molecule another type of polyatomic Rydberg molecules can form. In this case, the Rydberg electron is coupled to the internal states of the polar ground-state molecule. In this talk, we will explore the electronic structure and rovibrational properties of these ultralong-range polyatomic Rydberg molecule. For the second type of Rydberg molecules, the polar dimer is allowed to rotate in the electric fields generated by the Rydberg electron and Rydberg core as well as an additional external field. We will investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding mechanism, with varying electric field and analyze the resulting properties such as the vibrational structure and the alignment and orientation of the polar dimer.

  11. Ultracold polar KRb molecules

    NASA Astrophysics Data System (ADS)

    Neyenhuis, Brian; Chotia, Amodsen; Moses, Steven; Ye, Jun; Jin, Deborah

    2011-05-01

    Ultracold polar molecules in the quantum degenerate regime open the possibility of realizing quantum gases with long-range, and spatially anisotropic, interparticle interactions. Currently, we can create a gas of ultracold fermionic ground-state KRb molecules in with a peak density of 1012 cm-3 and a temperature just 1.4 times the Fermi temperature. We will report on efforts to further cool this gas of molecules. One possibility is to evaporatively cool a spin-polarized molecular Fermi gas confined in quasi-2D, where we would rely on dipole-dipole interactions for rethermalization. We acknowledge funding from NIST, NSF, and AFOSR-MURI.

  12. Poisson's spot with molecules

    SciTech Connect

    Reisinger, Thomas; Holst, Bodil; Patel, Amil A.; Smith, Henry I.; Reingruber, Herbert; Fladischer, Katrin; Ernst, Wolfgang E.; Bracco, Gianangelo

    2009-05-15

    In the Poisson-spot experiment, waves emanating from a source are blocked by a circular obstacle. Due to their positive on-axis interference an image of the source (the Poisson spot) is observed within the geometrical shadow of the obstacle. In this paper we report the observation of Poisson's spot using a beam of neutral deuterium molecules. The wavelength independence and the weak constraints on angular alignment and position of the circular obstacle make Poisson's spot a promising candidate for applications ranging from the study of large molecule diffraction to patterning with molecules.

  13. Poisson's spot with molecules

    NASA Astrophysics Data System (ADS)

    Reisinger, Thomas; Patel, Amil A.; Reingruber, Herbert; Fladischer, Katrin; Ernst, Wolfgang E.; Bracco, Gianangelo; Smith, Henry I.; Holst, Bodil

    2009-05-01

    In the Poisson-spot experiment, waves emanating from a source are blocked by a circular obstacle. Due to their positive on-axis interference an image of the source (the Poisson spot) is observed within the geometrical shadow of the obstacle. In this paper we report the observation of Poisson’s spot using a beam of neutral deuterium molecules. The wavelength independence and the weak constraints on angular alignment and position of the circular obstacle make Poisson’s spot a promising candidate for applications ranging from the study of large molecule diffraction to patterning with molecules.

  14. Building Diatomic and Triatomic Superatom Molecules.

    PubMed

    Champsaur, Anouck M; Velian, Alexandra; Paley, Daniel W; Choi, Bonnie; Roy, Xavier; Steigerwald, Michael L; Nuckolls, Colin

    2016-08-10

    In this study, we have developed a method to create Co6Se8 superatoms in which we program the metal-ligand bonds. We exclusively form the Co6Se8 core under simple reaction conditions with a facile separation of products that contain differential substitution of the core. The combination of Co2(CO)8 and PR3 with excess Se gives the differentially and directionally substituted superatoms, Co6Se8(CO)x(PR3)(6-x). The CO groups on the superatom can be exchanged quantitatively with phosphines and isonitriles. Substitution of the CO allows us to manipulate the type and length of chemical bridge between two redox-active superatomic centers in order to modulate intersuperatomic coupling. Linking two superatoms together allows us to form the simplest superatom molecule: a diatomic molecule. We extend the superatom molecule concept to link three superatoms together in a linear arrangement to form acyclic triatomic molecules. These superatom molecules have a rich electrochemical profile and chart a clear path to a whole family of superatom molecules with new and unusual collective properties. PMID:27410225

  15. Visualization of Bacteriophage T3 Capsids with DNA Incompletely Packaged In Vivo

    PubMed Central

    Fang, Ping-An; Wright, Elena T.; Weintraub, Susan T.; Hakala, Kevin; Wu, Weimin; Serwer, Philip; Jiang, Wen

    2009-01-01

    The tightly packaged dsDNA genome in the mature particles of many tailed bacteriophages has been shown to form multiple concentric rings when reconstructed from cryo-electron micrographs. However, recent single-particle DNA packaging force measurements have suggested that incompletely packaged DNA (ipDNA) is less ordered when it is shorter than ∼25% of the full genome length. The study presented here initially achieves both the isolation and the ipDNA length-based fractionation of ipDNA-containing T3 phage capsids (ipDNA-capsids) produced by DNA packaging in vivo; some ipDNA has quantized lengths, as judged by high-resolution gel electrophoresis of expelled DNA. This is the first isolation of such particles among the tailed dsDNA bacteriophages. The ipDNA-capsids are a minor component (containing ∼10-4 of packaged DNA in all particles) and are initially detected by non-denaturing gel electrophoresis after partial purification by buoyant density centrifugation. The primary contaminants are aggregates of phage particles and empty capsids. This study then investigates ipDNA conformations by the first cryo-electron microscopy (cryo-EM) of ipDNA-capsids produced in vivo. The 3-D structures of DNA-free capsids, ipDNA-capsids with various lengths of ipDNA, and mature bacteriophage are reconstructed, which reveals the typical T=7l icosahedral shell of many tailed dsDNA bacteriophages. Though the icosahedral shell structures of these capsids are indistinguishable at the current resolution for the protein shell (∼15 Å), the conformations of the DNA inside the shell are drastically different. T3 ipDNA-capsids with 10.6 kb or shorter dsDNA (<28% of total genome) have an ipDNA conformation indistinguishable from random. However, T3 ipDNA-capsids with 22 kb DNA (58% of total genome) forms a single DNA ring next to the inner surface of the capsid shell. In contrast, dsDNA fully packaged (38.2 kb) in mature T3 phage particles forms multiple concentric rings like those seen

  16. Single-Molecule Enzymology

    SciTech Connect

    Xie, Xiaoliang; Lu, H PETER.

    1999-06-04

    Viewing a movie of an enzyme molecule made from molecular dynamics (MD) simulation, we see incredible details of molecular motions, be it a change of the conformation or the action of a chemical reaction.

  17. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  18. Minimax approach problem with incomplete information for the two-level hierarchical discrete-time dynamical system

    SciTech Connect

    Shorikov, A. F.

    2014-11-18

    We consider a discrete-time dynamical system consisting of three controllable objects. The motions of all objects are given by the corresponding vector linear or convex discrete-time recurrent vector relations, and control system for its has two levels: basic (first or I level) that is dominating and subordinate level (second or II level) and both have different criterions of functioning and united a priori by determined informational and control connections defined in advance. For the dynamical system in question, we propose a mathematical formalization in the form of solving a multistep problem of two-level hierarchical minimax program control over the terminal approach process with incomplete information and give a general scheme for its solution.

  19. Polyatomic molecule vibrations

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Polyatomic molecule vibrations are analyzed as harmonic vibrations along normal coordinates. The energy eigenvalues are found for linear and nonlinear symmetric triatomic molecules for valence bond models of the potential function with arbitrary coupling coefficients; such models can usually be fitted to observed energy levels with reasonably good accuracy. Approximate normal coordinates for the H2O molecule are discussed. Degenerate vibrational modes such as occur in CO2 are analyzed and expressions for Fermi resonance between close-lying states of the same symmetry are developed. The bending modes of linear triatomic molecules are expressed in terms of Laguerre polynomials in cylindrical coordinates as well as in terms of Hermite polynomials in Cartesian coordinates. The effects of large-amplitude bending such as occur in the C3 molecule are analyzed, along with anharmonic effects, which split the usually degenerate bending mode energy levels. Finally, the vibrational frequencies, degeneracies, and symmetry properties of XY3, X2Y2, and XY4 type molecules are discussed.

  20. Nucleon Electromagnetic Form Factors

    SciTech Connect

    Kees de Jager

    2004-08-01

    Although nucleons account for nearly all the visible mass in the universe, they have a complicated structure that is still incompletely understood. The first indication that nucleons have an internal structure, was the measurement of the proton magnetic moment by Frisch and Stern (1933) which revealed a large deviation from the value expected for a point-like Dirac particle. The investigation of the spatial structure of the nucleon, resulting in the first quantitative measurement of the proton charge radius, was initiated by the HEPL (Stanford) experiments in the 1950s, for which Hofstadter was awarded the 1961 Nobel prize. The first indication of a non-zero neutron charge distribution was obtained by scattering thermal neutrons off atomic electrons. The recent revival of its experimental study through the operational implementation of novel instrumentation has instigated a strong theoretical interest. Nucleon electro-magnetic form factors (EMFFs) are optimally studied through the exchange of a virtual photon, in elastic electron-nucleon scattering. The momentum transferred to the nucleon by the virtual photon can be selected to probe different scales of the nucleon, from integral properties such as the charge radius to scaling properties of its internal constituents. Polarization instrumentation, polarized beams and targets, and the measurement of the polarization of the recoiling nucleon have been essential in the accurate separation of the charge and magnetic form factors and in studies of the elusive neutron charge form factor.

  1. Molecules in the early universe

    SciTech Connect

    Lepp, S.; Shull, J.M.

    1984-05-15

    We present calculations of the formation of astrophysically interesting molecules (H/sub 2/, HD, LiH, and HeH/sup +/) by gas-phase reactions during the postrecombination epoch (redshifts z = 300-30). In standard Friedmann cosmological models, H/sub 2//Hroughly-equal10/sup -6/, HD/H/sub 2/roughly-equal10/sup -4.5/, and LiH/H/sub 2/roughly-equal10/sup -6.5/. These molecules may dominate the cooling and trigger the collapse of primordial gas clouds. The dipole rotational transitions of HD and LiH are particularly important at high density and low temperature. Additional molecules form during spherical collapse of these clouds, their rotational cooling keeps the gas temperature between 400 and 1500 K over 12 decades of density increase until the H/sub 2/ lines become optically thick. The existence of molecular coolants at high redshift has significant implications for the first generation of stars and for thermal instabilities in intergalactic matter.

  2. Diversification of self-replicating molecules

    NASA Astrophysics Data System (ADS)

    Sadownik, Jan W.; Mattia, Elio; Nowak, Piotr; Otto, Sijbren

    2016-03-01

    How new species emerge in nature is still incompletely understood and difficult to study directly. Self-replicating molecules provide a simple model that allows us to capture the fundamental processes that occur in species formation. We have been able to monitor in real time and at a molecular level the diversification of self-replicating molecules into two distinct sets that compete for two different building blocks (‘food’) and so capture an important aspect of the process by which species may arise. The results show that the second replicator set is a descendant of the first and that both sets are kinetic products that oppose the thermodynamic preference of the system. The sets occupy related but complementary food niches. As diversification into sets takes place on the timescale of weeks and can be investigated at the molecular level, this work opens up new opportunities for experimentally investigating the process through which species arise both in real time and with enhanced detail.

  3. A Case of Sudden Infant Death Due to Incomplete Kawasaki Disease.

    PubMed

    Yajima, Daisuke; Shimizu, Keiko; Oka, Kumiko; Asari, Masaru; Maseda, Chikatoshi; Okuda, Katsuhiro; Shiono, Hiroshi; Ohtani, Seiji; Ogawa, Katsuhiro

    2016-01-01

    Although Kawasaki disease (KD) is a self-limiting disease, it may cause sudden cardiac death. Diagnosis of KD is principally based on clinical signs; however, some infant cases do not meet the criteria. Such cases are identified as incomplete KD. The sudden death risk in incomplete KD cases is similar to conventional KD. In our 5-month-old case, he had been admitted to a hospital for a fever and suppuration at the site of Bacille de Calmette et Guerin (BCG) vaccination. However, after discharge from the hospital, his C-reactive protein (CRP) levels declined, he got indisposed and died suddenly. A medico-legal autopsy revealed myocarditis, coronaritis, platelet-aggregated emboli in coronary arteries, and myocardial degeneration, suggesting that the fatal myocardial infarction was due to thrombus emboli in the coronary arteries. Forensic pathologists therefore should pay attention to the cardiac pathology originated from incomplete KD as a potential cause in cases of sudden infant death. PMID:26347043

  4. Bilevel formulation of a policy design problem considering multiple objectives and incomplete preferences

    NASA Astrophysics Data System (ADS)

    Hawthorne, Bryant; Panchal, Jitesh H.

    2014-07-01

    A bilevel optimization formulation of policy design problems considering multiple objectives and incomplete preferences of the stakeholders is presented. The formulation is presented for Feed-in-Tariff (FIT) policy design for decentralized energy infrastructure. The upper-level problem is the policy designer's problem and the lower-level problem is a Nash equilibrium problem resulting from market interactions. The policy designer has two objectives: maximizing the quantity of energy generated and minimizing policy cost. The stakeholders decide on quantities while maximizing net present value and minimizing capital investment. The Nash equilibrium problem in the presence of incomplete preferences is formulated as a stochastic linear complementarity problem and solved using expected value formulation, expected residual minimization formulation, and the Monte Carlo technique. The primary contributions in this article are the mathematical formulation of the FIT policy, the extension of computational policy design problems to multiple objectives, and the consideration of incomplete preferences of stakeholders for policy design problems.

  5. Tear lipid layer deficiency associated with incomplete blinking: A case report

    PubMed Central

    2013-01-01

    Background Meibomian gland obstruction induces hyposecretion of tear film lipids, which results in lipid layer deficiency and evaporative dry eye. Unfortunately, the importance of blinking in meibomian gland dysfunction has been largely overlooked, and it is not known whether incomplete blinking causes tear lipid deficiency, even in the unobstructed meibomian glands. Case presentation A 38-year-old woman suffering from foreign body sensations in her eyes was examined. The cornea was clear and tear secretion was normal. Lid margin abnormalities were not observed and the meibum was clear. However, the lipid layer was very thin, and the patient was given a diagnosis of incomplete blinking. The patient was made aware of her condition and asked to blink consciously and completely. After that, an immediate increase in lipid flow was observed. Conclusion Tear lipid layer deficiency can occur with incomplete blinking, even though meibomian gland structures are intact. This case highlights the importance of complete blinking. PMID:23855887

  6. Experimental study of incomplete oxidation of methane in a ring channel

    NASA Astrophysics Data System (ADS)

    Kuznetsov, V. V.; Vitovsky, O. V.; Gasenko, O. A.

    2007-09-01

    Chemical transformations at incomplete methane oxidation in the air medium were studied experimentally at reaction activation on the wall of an annular microchannel. Methane was oxidized incompletely on a rhodium catalyst deposited on an inner wall of the channel. Concentrations of the products of chemical transformations were measured in the outlet gas mixture for different reactor temperatures and stay times. We have determined the range of channel wall temperatures and stay times of the mixture corresponding to an increase in the portion of hydrogen and carbon dioxide indicating transition from predominant methane combustion to cascade chemical reactions with activation of steam and carbon dioxide methane conversions. It is shown that the kinetic model of chemical transformations of methane in the air medium depends significantly on the temperature of channel walls and stay time of the mixture. The effect of outer diffusion deceleration on the rate of chemical transformations at incomplete methane oxidation under the strained conditions is determined.

  7. Incomplete Mixing and Reactions - A Lagrangian Approach in a Pure Shear Flow

    NASA Astrophysics Data System (ADS)

    Paster, Amir; Bolster, Diogo; Aquino, Tomas

    2015-04-01

    Incomplete mixing of reactive solutes is well known to slow down reaction rates relative to what would be expected from assuming perfect mixing. As reactions progress in a system and deplete reactant concentrations, initial fluctuations in the concentrations of reactions can be amplified relative to mean background concentrations and lead to spatial segregation of reactants. As the system evolves, in the absence of sufficient mixing, this segregation will increase, leading to a persistence of incomplete mixing that fundamentally changes the effective rate at which overall reactions will progress. On the other hand, nonuniform fluid flows are known to affect mixing between interacting solutes. Thus a natural question arises: Can non-uniform flows sufficiently enhance mixing to suppress incomplete mixing effects, and if so, under what conditions? In this work we address this question by considering one of the simplest possible flows, a laminar pure shear flow, which is known to significantly enhance mixing relative to diffusion alone. To study this system we adapt a novel Lagrangian particle-based random walk method, originally designed to simulate reactions in purely diffusive systems, to the case of advection and diffusion in a shear flow. To interpret the results we develop a semi-analytical solution, by proposing a closure approximation that aims to capture the effect of incomplete mixing. The results obtained via the Lagrangian model and the semi-analytical solutions consistently highlight that if shear effects in the system are not sufficiently strong, incomplete mixing effects initially similar to purely diffusive systems will occur, slowing down the overall reaction rate. Then, at some later time, dependent on the strength of the shear, the system will return to behaving as if it were well-mixed, but represented by a reduced effective reaction rate. If shear effects are sufficiently strong, the incomplete mixing regime never emerges and the system can behave

  8. ({sup 16}O + {sup 232}Th) incomplete fusion followed by fission at 140 MeV

    SciTech Connect

    Gavathas, E.P.

    1993-12-31

    Cross sections for incomplete fusion followed by fission have been measured for the reaction ({sup 16}O + {sup 232}Th) at 140 MeV. In plane and out of plane measurements were made of cross sections for beamlike fragments in coincidence with fission fragments. The beamlike fragments were detected with the Florida State large acceptance Bragg curve spectrometer. The detector was position sensitive in the polar direction. The beamlike particles observed in coincidence with fission fragments were He, Li, Be, B, C, N and O. Fission fragments were detected by three surface barrier detectors using time of flight for particle identification. The reaction cross section due to incomplete fusion is 747 {+-} 112 mB, or 42% of the total fission cross section. The strongest incomplete fusion channels were the helium and carbon channels. The average transferred angular momentum for each incomplete fusion channel was calculated using the Q{sub opt} model of Wilczynski, and the angular correlation was calculated using the saddle point transition state model. The K distribution was determined from the Rotating Liquid Drop model. The theoretic angular distributions were fitted to the experimental angular distributions with the angular momentum J and the dealignment factor {alpha}{sub 0} as free parameters. The fitted parameter J was in excellent agreement with the Q{sub opt} model predictions. The conclusions of this study are that the incomplete fusion cross section is a large part of the total cross section, and that the saddle point transition state model adequately describes the observed angular correlations for fission following incomplete fusion.

  9. Quest for organic polymer-based monolithic columns affording enhanced efficiency in high performance liquid chromatography separations of small molecules in isocratic mode

    PubMed Central

    Svec, Frantisek

    2011-01-01

    The separations of small molecules using columns containing porous polymer monoliths invented two decades ago went a long way from the very modest beginnings to the current capillary columns with efficiencies approaching those featured by their silica-based counterparts. This review article presents a variety of techniques that have been used to form capillary formats of monolithic columns with enhanced separation performance in isocratic elutions. The following text first describes the traditional approaches used for the preparation of efficient monoliths comprising variations in polymerization conditions including temperature as well as composition of monomers and porogenic solvents. Encouraging results of these experiments fueled research of completely new preparation methods such as polymerization to an incomplete conversion, use of single crosslinker, hypercrosslinking, and incorporation of carbon nanotubes that are described in the second part of the text. PMID:21816401

  10. Electrical stimulation of the lumbrical muscles in an incomplete quadriplegic patient: case report.

    PubMed

    Carroll, S G; Bird, S F; Brown, D J

    1992-03-01

    The increasing number of incomplete cervical spinal cord injuries means that more attention needs to be focused on the rehabilitation of the incomplete quadriplegic hand. A case study, describing the application of electrical stimulation for strengthening the paretic lumbrical muscles, is presented. A 2 week strengthening program resulted in a 33% increase in the force produced by the lumbrical muscles. No loss of strength had occurred 4 weeks after cessation of the treatment. The magnitude and speed of this result should be of interest to those clinicians who seek to maximise patient independence in minimal time. PMID:1630853

  11. Stepwise Excavation Allows Apexogenesis in Permanent Molars with Deep Carious Lesions and Incomplete Root Formation.

    PubMed

    Hernandéz-Gatón, Patrícia; Serrano, César Ruiz; Nelson Filho, Paulo; De Castañeda, Esther Ruiz; Lucisano, Marília P; Silva, Raquel A B da; Silva, Léa A B da

    2015-01-01

    This study evaluated the stepwise excavation technique in 138 permanent molars with deep carious lesions and incomplete root formation within a 24-month clinical and radiographic follow-up period. In 96.7% of the cases, success was observed (no pain, integrity of restoration margins, absence of radiographic alterations and apexogenesis). The cases of failure (3.3%) were due to the loss of the temporary restoration. In conclusion, the stepwise excavation is a promising technique for permanent teeth with deep carious lesions and incomplete root formation as a minimally invasive approach because it allows the preservation of pulp vitality and occurrence of apexogenesis. PMID:26655853

  12. Graph Embedding Techniques for Bounding Condition Numbers of Incomplete Factor Preconditioning

    NASA Technical Reports Server (NTRS)

    Guattery, Stephen

    1997-01-01

    We extend graph embedding techniques for bounding the spectral condition number of preconditioned systems involving symmetric, irreducibly diagonally dominant M-matrices to systems where the preconditioner is not diagonally dominant. In particular, this allows us to bound the spectral condition number when the preconditioner is based on an incomplete factorization. We provide a review of previous techniques, describe our extension, and give examples both of a bound for a model problem, and of ways in which our techniques give intuitive way of looking at incomplete factor preconditioners.

  13. No-capture breakup and incomplete fusion reactions induced by stable weakly bound nucleus 9Be

    NASA Astrophysics Data System (ADS)

    Seyyedi, S. A.

    2016-06-01

    The reactions including the stable weakly bound nucleus 9Be have been studied using the classical trajectory model accompanied with the experimental breakup function and the Aage-Winther interaction potential (AW95). In these calculations, the no-capture breakup and the incomplete fusion cross-sections as well as their competition at around the Coulomb barrier have been investigated. Our calculations showed that at a given far-Coulomb-barrier energy the incomplete fusion reaction in different distributions of angular momentum and energies can dominate the no-capture breakup reaction. This dominating process is reversed at the near-barrier energies.

  14. Incomplete fusion reactions in 16O+159Tb system: Spin distribution measurements

    NASA Astrophysics Data System (ADS)

    Sharma, Vijay R.; Yadav, Abhishek; Singh, Devendra P.; Singh, Pushpendra P.; Gupta, Sunita; Sharma, Manoj K.; Bala, Indu; Kumar, R.; Muralithar, S.; Singh, R. P.; Singh, B. P.; Prasad, R.; Bhowmik, R. K.

    2015-01-01

    In order to explore the reaction modes on the basis of their entry state spin population, an experiment has been done by employing particle-γ coincidence technique carried out at the Inter University Accelerator Centre, New Delhi. The preliminary analysis conclusively demonstrates, spin distribution for some reaction products populated via complete and/or incomplete fusion of 16O with 159Tb system found to be distinctly different. Further, the existence of incomplete fusion at low bombarding energies indicates the possibility to populate high spin states.

  15. Search for complex organic molecules in space

    NASA Astrophysics Data System (ADS)

    Ohishi, Masatoshi

    2016-07-01

    It was 1969 when the first organic molecule in space, H2CO, was discovered. Since then many organic molecules were discovered by using the NRAO 11 m (upgraded later to 12 m), Nobeyama 45 m, IRAM 30 m, and other highly sensitive radio telescopes as a result of close collaboration between radio astronomers and microwave spectroscopists. It is noteworthy that many famous organic molecules such as CH3OH, C2H5OH, (CH3)2O and CH3NH2 were detected by 1975. Organic molecules were found in so-called hot cores where molecules were thought to form on cold dust surfaces and then to evaporate by the UV photons emitted from the central star. These days organic molecules are known to exist not only in hot cores but in hot corinos (a warm, compact molecular clump found in the inner envelope of a class 0 protostar) and even protoplanetary disks. As was described above, major organic molecules were known since 1970s. It was very natural that astronomers considered a relationship between organic molecules in space and the origin of life. Several astronomers challenged to detect glycine and other prebiotic molecules without success. ALMA is expected to detect such important materials to further consider the gexogenous deliveryh hypothesis. In this paper I summarize the history in searching for complex organic molecules together with difficulties in observing very weak signals from larger species. The awfully long list of references at the end of this article may be the most useful part for readers who want to feel the exciting discovery stories.

  16. Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials.

    PubMed

    Mayhall, Nicholas J; Raghavachari, Krishnan

    2011-05-10

    We present a new extrapolated fragment-based approach, termed molecules-in-molecules (MIM), for accurate energy calculations on large molecules. In this method, we use a multilevel partitioning approach coupled with electronic structure studies at multiple levels of theory to provide a hierarchical strategy for systematically improving the computed results. In particular, we use a generalized hybrid energy expression, similar in spirit to that in the popular ONIOM methodology, that can be combined easily with any fragmentation procedure. In the current work, we explore a MIM scheme which first partitions a molecule into nonoverlapping fragments and then recombines the interacting fragments to form overlapping subsystems. By including all interactions with a cheaper level of theory, the MIM approach is shown to significantly reduce the errors arising from a single level fragmentation procedure. We report the implementation of energies and gradients and the initial assessment of the MIM method using both biological and materials systems as test cases. PMID:26610128

  17. Barium Isotope Heterogeneities in Planetary Materials: Applications to Incomplete Mixing of the Solar Nebula

    NASA Astrophysics Data System (ADS)

    Ranen, M. C.; Jacobsen, S. B.

    2006-05-01

    A persistent view among geochemists is that the Solar System formed as a hot, well mixed disk of dust and gas that had the same initial isotopic composition of heavy elements throughout. Thus, all meteorite parent bodies and terrestrial planets would have identical stable isotopic ratios of refractory, heavy elements. In order to explain the initial isotope ratios of various extinct nuclides, both injection of supernova and AGB star material to the proto-solar molecular cloud or disk within a few million years of formation has been proposed. A common view is that these r-process and s-process contributions were homogenized throughout the disk. The existence of pre-solar grains in meteorites shows that grains with extremely large isotopic differences have been preserved. Some rare, refractory inclusions in carbonaceous chondrites have relatively large r-process excesses while a large portion of pre-solar grains found in chondrites are almost pure s-process material. The survival of these grains means that the nebula could not be as homogenized as previously thought. Thus, it is plausible for various planets and planetesimals to have slightly different inventories of r- and s-process nuclides. Small isotopic differences between bulk meteorites and the Earth have been measured for both Mo and Zr (Yin et al. 2002). Boyet and Carlson (2005) measured a 20 ppm difference in 142Nd between the Earth and chondrites which could either be due to decay of 146Sm or an r-process enrichment in chondritic meteorites compared to the Earth, consistent with the Mo and Zr data. We have measured Ba isotopes in various chondrites to further investigate heavy element isotope heterogeneities in bulk planetary bodies. Barium is an ideal element to study because it has many isotopes, some of which are formed only in the s-process. All chondrites show r-process excesses of up to 40 ppm in 138Ba compared to the Earth. This is likely an r-process excess due to incomplete mixing of r- and s

  18. Characterization of Interstellar Organic Molecules

    SciTech Connect

    Gencaga, Deniz; Knuth, Kevin H.; Carbon, Duane F.

    2008-11-06

    Understanding the origins of life has been one of the greatest dreams throughout history. It is now known that star-forming regions contain complex organic molecules, known as Polycyclic Aromatic Hydrocarbons (PAHs), each of which has particular infrared spectral characteristics. By understanding which PAH species are found in specific star-forming regions, we can better understand the biochemistry that takes place in interstellar clouds. Identifying and classifying PAHs is not an easy task: we can only observe a single superposition of PAH spectra at any given astrophysical site, with the PAH species perhaps numbering in the hundreds or even thousands. This is a challenging source separation problem since we have only one observation composed of numerous mixed sources. However, it is made easier with the help of a library of hundreds of PAH spectra. In order to separate PAH molecules from their mixture, we need to identify the specific species and their unique concentrations that would provide the given mixture. We develop a Bayesian approach for this problem where sources are separated from their mixture by Metropolis Hastings algorithm. Separated PAH concentrations are provided with their error bars, illustrating the uncertainties involved in the estimation process. The approach is demonstrated on synthetic spectral mixtures using spectral resolutions from the Infrared Space Observatory (ISO). Performance of the method is tested for different noise levels.

  19. Understanding ultracold polar molecules

    NASA Astrophysics Data System (ADS)

    Julienne, Paul

    2009-05-01

    The successful production of a dense sample of ultracold ground state KRb polar molecules [1] opens the door to a new era of research with dipolar gases and lattices of such species. This feat was achieved by first associating a K and a Rb atom to make a weakly bound Feshbach molecule and then coherently transferring the population to the ground vibrational level of the molecule. This talk focuses on theoretical issues associated with making and using ultracold polar molecules, using KRb as an example [2]. Full understanding of this species and the processes by which it is made requires taking advantage of accurate molecular potentials [3], ab initio calculations [4], and the properties of the long-range potential. A highly accurate model is available for KRb for all bound states below the ground state separated atom limit and could be constructed for other species. The next step is to develop an understanding of the interactions between polar molecules, and their control in the ultracold domain. Understanding long-range interactions and threshold resonances will be crucial for future work. [1] K.-K. Ni, et al, Science 322, 231(2008). [2] P. S. Julienne, arXiv:0812:1233. [3] Pashov et al., Phys. Rev. A76, 022511 (2007). [4] S. Kotochigova, et al., arXiv:0901.1486.

  20. Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

    PubMed Central

    Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

    2015-01-01

    Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies. PMID:25975371

  1. Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant.

    PubMed

    Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

    2015-01-01

    Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies. PMID:25975371

  2. Nanodevices for generating power from molecules and batteryless sensing

    SciTech Connect

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2015-06-09

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  3. Nanodevices for generating power from molecules and batteryless sensing

    SciTech Connect

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2014-07-15

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  4. The Three Forms of Molecular Oxygen.

    ERIC Educational Resources Information Center

    Laing, Michael

    1989-01-01

    Finds that a logical application of the simple rules of the molecular orbital bonding theory for diatomic molecules predicted the existence of three spin isomers of the oxygen molecule: one triplet form with two unpaired electrons and two singlet forms with all electrons paired. (MVL)

  5. Positronium ions and molecules

    NASA Technical Reports Server (NTRS)

    Ho, Y. K.

    1990-01-01

    Recent theoretical studies on positronium ions and molecules are discussed. A positronium ion is a three particle system consisting of two electrons in singlet spin state, and a positron. Recent studies include calculations of its binding energy, positron annihilation rate, and investigations of its doubly excited resonant states. A positronium molecule is a four body system consisting of two positrons and two electrons in an overall singlet spin state. The recent calculations of its binding energy against the dissociation into two positronium atoms, and studies of auto-detaching states in positronium molecules are discussed. These auto-dissociating states, which are believed to be part of the Rydberg series as a result of a positron attaching to a negatively charged positronium ion, Ps-, would appear as resonances in Ps-Ps scattering.

  6. Atomic branching in molecules

    NASA Astrophysics Data System (ADS)

    Estrada, Ernesto; Rodríguez-Velázquez, Juan A.; Randić, Milan

    A graph theoretic measure of extended atomic branching is defined that accounts for the effects of all atoms in the molecule, giving higher weight to the nearest neighbors. It is based on the counting of all substructures in which an atom takes part in a molecule. We prove a theorem that permits the exact calculation of this measure based on the eigenvalues and eigenvectors of the adjacency matrix of the graph representing a molecule. The definition of this measure within the context of the Hückel molecular orbital (HMO) and its calculation for benzenoid hydrocarbons are also studied. We show that the extended atomic branching can be defined using any real symmetric matrix, as well as any Hermitian (self-adjoint) matrix, which permits its calculation in topological, geometrical, and quantum chemical contexts.

  7. Single-Molecule Bioelectronics

    PubMed Central

    Rosenstein, Jacob K.; Lemay, Serge G.; Shepard, Kenneth L.

    2014-01-01

    Experimental techniques which interface single biomolecules directly with microelectronic systems are increasingly being used in a wide range of powerful applications, from fundamental studies of biomolecules to ultra-sensitive assays. Here we review several technologies which can perform electronic measurements of single molecules in solution: ion channels, nanopore sensors, carbon nanotube field-effect transistors, electron tunneling gaps, and redox cycling. We discuss the shared features among these techniques that enable them to resolve individual molecules, and discuss their limitations. Recordings from each of these methods all rely on similar electronic instrumentation, and we discuss the relevant circuit implementations and potential for scaling these single-molecule bioelectronic interfaces to high-throughput arrayed sensing platforms. PMID:25529538

  8. Single-molecule bioelectronics.

    PubMed

    Rosenstein, Jacob K; Lemay, Serge G; Shepard, Kenneth L

    2015-01-01

    Experimental techniques that interface single biomolecules directly with microelectronic systems are increasingly being used in a wide range of powerful applications, from fundamental studies of biomolecules to ultra-sensitive assays. In this study, we review several technologies that can perform electronic measurements of single molecules in solution: ion channels, nanopore sensors, carbon nanotube field-effect transistors, electron tunneling gaps, and redox cycling. We discuss the shared features among these techniques that enable them to resolve individual molecules, and discuss their limitations. Recordings from each of these methods all rely on similar electronic instrumentation, and we discuss the relevant circuit implementations and potential for scaling these single-molecule bioelectronic interfaces to high-throughput arrayed sensing platforms. PMID:25529538

  9. Photochemistry of interstellar molecules

    NASA Technical Reports Server (NTRS)

    Stief, L. J.

    1971-01-01

    The photochemistry of two diatomic and eight polyatomic molecules is discussed quantitatively. For an interstellar molecule, the lifetime against photodecomposition depends upon the absorption cross section, the quantum yield or probability of dissociation following photon absorption, and the interstellar radiation field. The constant energy density of Habing is used for the unobserved regions of interstellar radiation field, and the field in obscuring clouds is estimated by combining the constant flux with the observed interstellar extinction curve covering the visible and ultraviolet regions. Lifetimes against photodecomposition in the unobscured regions and as a function of increasing optical thickness in obscuring clouds are calculated for the ten species. The results show that, except for CO, all the molecules have comparable lifetimes of less than one hundred years. Thus they can exist only in dense clouds and can never have been exposed to the unobscured radiation. The calculations further show that the lifetimes in clouds of moderate opacity are of the order of one million years.

  10. Poisson's Spot with Molecules

    NASA Astrophysics Data System (ADS)

    Reisinger, Thomas; Patel, Amil; Reingruber, Herbert; Fladischer, Katrin; Ernst, Wolfgang E.; Bracco, Gianangelo; Smith, Henry I.; Holst, Bodil

    2009-03-01

    In the Poisson-Spot experiment, waves emanating from a source are blocked by a circular obstacle. Due to their positive on-axis interference an image of the source (the Poisson spot) is observed within the geometrical shadow of the obstacle. The Poisson spot is the last of the classical optics experiments to be realized with neutral matter waves. In this paper we report the observation of Poisson's Spot using a beam of neutral deuterium molecules. The wavelength-independence and the weak constraints on angular alignment and position of the circular obstacle make Poisson's spot a promising candidate for applications ranging from the study of large-molecule diffraction and coherence in atom-lasers to patterning with large molecules.

  11. Towards single molecule switches.

    PubMed

    Zhang, Jia Lin; Zhong, Jian Qiang; Lin, Jia Dan; Hu, Wen Ping; Wu, Kai; Xu, Guo Qin; Wee, Andrew T S; Chen, Wei

    2015-05-21

    The concept of using single molecules as key building blocks for logic gates, diodes and transistors to perform basic functions of digital electronic devices at the molecular scale has been explored over the past decades. However, in addition to mimicking the basic functions of current silicon devices, molecules often possess unique properties that have no parallel in conventional materials and promise new hybrid devices with novel functions that cannot be achieved with equivalent solid-state devices. The most appealing example is the molecular switch. Over the past decade, molecular switches on surfaces have been intensely investigated. A variety of external stimuli such as light, electric field, temperature, tunneling electrons and even chemical stimulus have been used to activate these molecular switches between bistable or even multiple states by manipulating molecular conformations, dipole orientations, spin states, charge states and even chemical bond formation. The switching event can occur either on surfaces or in break junctions. The aim of this review is to highlight recent advances in molecular switches triggered by various external stimuli, as investigated by low-temperature scanning tunneling microscopy (LT-STM) and the break junction technique. We begin by presenting the molecular switches triggered by various external stimuli that do not provide single molecule selectivity, referred to as non-selective switching. Special focus is then given to selective single molecule switching realized using the LT-STM tip on surfaces. Single molecule switches operated by different mechanisms are reviewed and discussed. Finally, molecular switches embedded in self-assembled monolayers (SAMs) and single molecule junctions are addressed. PMID:25757483

  12. Plasmonic nanostructures: artificial molecules.

    PubMed

    Wang, Hui; Brandl, Daniel W; Nordlander, Peter; Halas, Naomi J

    2007-01-01

    This Account describes a new paradigm for the relationship between the geometry of metallic nanostructures and their optical properties. While the interaction of light with metallic nanoparticles is determined by their collective electronic or plasmon response, a compelling analogy exists between plasmon resonances of metallic nanoparticles and wave functions of simple atoms and molecules. Based on this insight, an entire family of plasmonic nanostructures, artificial molecules, has been developed whose optical properties can be understood within this picture: nanoparticles (nanoshells, nanoeggs, nanomatryushkas, nanorice), multi-nanoparticle assemblies (dimers, trimers, quadrumers), and a nanoparticle-over-metallic film, an electromagnetic analog of the spinless Anderson model. PMID:17226945

  13. Incomplete Measures

    ERIC Educational Resources Information Center

    Tanner, John R.

    2010-01-01

    Large-scale test scores are the most visible representation of what happens in schools in the U.S. The prevailing notion is that they will tell people most of what they need to know about a school, including the quality of instruction and the effectiveness of the teaching and administrative staff. Americans put credence in test scores despite the…

  14. Incomplete Puzzle

    NASA Technical Reports Server (NTRS)

    2006-01-01

    15 April 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows a mid-summer view of a portion of the south polar residual cap of Mars. The large, relatively flat-lying, puzzle-like pieces in this scene are mesas composed largely of solid carbon dioxide.

    Location near: 85.5oS, 76.8oW Image width: 3 km (1.9 mi) Illumination from: upper left Season: Southern Summer

  15. The Logical Heart of a Classic Proof Revisited: A Guide to Godel's "Incompleteness" Theorems

    ERIC Educational Resources Information Center

    Padula, Janice

    2011-01-01

    The study of Kurt Godel's proof of the "incompleteness" of a formal system such as "Principia Mathematica" is a great way to stimulate students' thinking and creative processes and interest in mathematics and its important developments. This article describes salient features of the proof together with ways to deal with potential difficulties for…

  16. A walking disaster: a case of incomplete spinal cord injury with symptomatic orthostatic hypotension.

    PubMed

    Currie, Katharine D; Krassioukov, Andrei V

    2015-10-01

    Eight months post-injury, an ambulatory 58-year-old male with an incomplete spinal cord injury experienced syncope and a 52-mmHg drop in his systolic blood pressure during a tilt-table assessment. This case study highlights the necessity to examine autonomic function in all cases of spinal cord injury, regardless of injury severity. PMID:26264838

  17. The (Il)logical Problem of Heritage Speaker Bilingualism and Incomplete Acquisition

    ERIC Educational Resources Information Center

    Cabo, Diego Pascual Y.; Rothman, Jason

    2012-01-01

    This Forum challenges and problematizes the term "incomplete acquisition," which has been widely used to describe the state of competence of heritage speaker (HS) bilinguals for well over a decade (see, e.g., Montrul, 2008). It is suggested and defended that HS competence, while often different from monolingual peers, is in fact not incomplete…

  18. Examining the Missing Completely at Random Mechanism in Incomplete Data Sets: A Multiple Testing Approach

    ERIC Educational Resources Information Center

    Raykov, Tenko; Lichtenberg, Peter A.; Paulson, Daniel

    2012-01-01

    A multiple testing procedure for examining implications of the missing completely at random (MCAR) mechanism in incomplete data sets is discussed. The approach uses the false discovery rate concept and is concerned with testing group differences on a set of variables. The method can be used for ascertaining violations of MCAR and disproving this…

  19. PIC (PRODUCTS OF INCOMPLETE COMBUSTION) FORMATION UNDER PYROLYTIC AND STARVED AIR CONDITIONS

    EPA Science Inventory

    A comprehensive program of laboratory studies based on the non-flame mode of thermal decomposition produced much data on PIC (Products of Incomplete Combustion) formation, primarily under pyrolytic and starved air conditions. Most significantly, laboratory results from non-flame ...

  20. INTERIM REPORT ON PIC (PRODUCTS OF INCOMPLETE COMBUSTION) MINIMIZATION IN A RESEARCH COMBUSTOR

    EPA Science Inventory

    A series of five organic compounds (1,1,2,2-tetrachloroethane, trichloroethylene, Freon-113, carbon tetrachloride and chlorobenzene) were burned in heptane in a 100,000 Btu/hour water-jacketed research combustor in order to determine what, if any, PICs (Products of Incomplete Com...

  1. EMISSIONS OF TRACE PRODUCTS OF INCOMPLETE COMBUSTION FROM A PILOT-SCALE INCINERATOR SECONDARY COMBUSTION CHAMBER

    EPA Science Inventory

    Experiments were performed on a 73 kW rotary kiln incinerator simulator equipped with a 73 kW secondary combustion chamber (SCC) to examine emissions of products of incomplete combustion (PICs) resulting from incineration of carbon tetrachloride (CCl4) and dichlorometh...

  2. 36 CFR 223.230 - Bid restriction on resale of incomplete contracts, permits, or other instruments.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 2 2012-07-01 2012-07-01 false Bid restriction on resale of incomplete contracts, permits, or other instruments. 223.230 Section 223.230 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM...

  3. 36 CFR 223.230 - Bid restriction on resale of incomplete contracts, permits, or other instruments.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 36 Parks, Forests, and Public Property 2 2013-07-01 2013-07-01 false Bid restriction on resale of incomplete contracts, permits, or other instruments. 223.230 Section 223.230 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM...

  4. 36 CFR 223.230 - Bid restriction on resale of incomplete contracts, permits, or other instruments.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 2 2011-07-01 2011-07-01 false Bid restriction on resale of incomplete contracts, permits, or other instruments. 223.230 Section 223.230 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM...

  5. 36 CFR 223.230 - Bid restriction on resale of incomplete contracts, permits, or other instruments.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Bid restriction on resale of incomplete contracts, permits, or other instruments. 223.230 Section 223.230 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM...

  6. Incomplete Reporting: Addressing the Prevalence of Outcome-Reporting Bias in Educational Research

    ERIC Educational Resources Information Center

    Trainor, Brian; Polanin, Joshua; Williams, Ryan; Pigott, Terri

    2015-01-01

    Outcome reporting bias refers to the practice of omitting from primary studies outcomes that were actually collected. When primary studies do not report on all the outcomes assessed, there is an incomplete understanding of a phenomenon that may be compounded when the study is included in a systematic review of research. Outcome reporting bias is…

  7. 17 CFR 260.7a-32 - Incorporation by reference rendering document incomplete, unclear, or confusing.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 17 Commodity and Securities Exchanges 3 2011-04-01 2011-04-01 false Incorporation by reference rendering document incomplete, unclear, or confusing. 260.7a-32 Section 260.7a-32 Commodity and Securities... OF 1939 Incorporation by Reference § 260.7a-32 Incorporation by reference rendering...

  8. 17 CFR 260.7a-32 - Incorporation by reference rendering document incomplete, unclear, or confusing.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 17 Commodity and Securities Exchanges 3 2012-04-01 2012-04-01 false Incorporation by reference rendering document incomplete, unclear, or confusing. 260.7a-32 Section 260.7a-32 Commodity and Securities... OF 1939 Incorporation by Reference § 260.7a-32 Incorporation by reference rendering...

  9. 17 CFR 260.7a-32 - Incorporation by reference rendering document incomplete, unclear, or confusing.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 17 Commodity and Securities Exchanges 3 2013-04-01 2013-04-01 false Incorporation by reference rendering document incomplete, unclear, or confusing. 260.7a-32 Section 260.7a-32 Commodity and Securities... OF 1939 Incorporation by Reference § 260.7a-32 Incorporation by reference rendering...

  10. 17 CFR 260.7a-32 - Incorporation by reference rendering document incomplete, unclear, or confusing.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 17 Commodity and Securities Exchanges 4 2014-04-01 2014-04-01 false Incorporation by reference rendering document incomplete, unclear, or confusing. 260.7a-32 Section 260.7a-32 Commodity and Securities... OF 1939 Incorporation by Reference § 260.7a-32 Incorporation by reference rendering...

  11. 17 CFR 260.7a-32 - Incorporation by reference rendering document incomplete, unclear, or confusing.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Incorporation by reference rendering document incomplete, unclear, or confusing. 260.7a-32 Section 260.7a-32 Commodity and Securities... OF 1939 Incorporation by Reference § 260.7a-32 Incorporation by reference rendering...

  12. Identifying Useful Auxiliary Variables for Incomplete Data Analyses: A Note on a Group Difference Examination Approach

    ERIC Educational Resources Information Center

    Raykov, Tenko; Marcoulides, George A.

    2014-01-01

    This research note contributes to the discussion of methods that can be used to identify useful auxiliary variables for analyses of incomplete data sets. A latent variable approach is discussed, which is helpful in finding auxiliary variables with the property that if included in subsequent maximum likelihood analyses they may enhance considerably…

  13. 36 CFR 223.230 - Bid restriction on resale of incomplete contracts, permits, or other instruments.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 36 Parks, Forests, and Public Property 2 2014-07-01 2014-07-01 false Bid restriction on resale of incomplete contracts, permits, or other instruments. 223.230 Section 223.230 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND DISPOSAL OF NATIONAL FOREST SYSTEM...

  14. TOPSIS-based consensus model for group decision-making with incomplete interval fuzzy preference relations.

    PubMed

    Liu, Fang; Zhang, Wei-Guo

    2014-08-01

    Due to the vagueness of real-world environments and the subjective nature of human judgments, it is natural for experts to estimate their judgements by using incomplete interval fuzzy preference relations. In this paper, based on the technique for order preference by similarity to ideal solution method, we present a consensus model for group decision-making (GDM) with incomplete interval fuzzy preference relations. To do this, we first define a new consistency measure for incomplete interval fuzzy preference relations. Second, a goal programming model is proposed to estimate the missing interval preference values and it is guided by the consistency property. Third, an ideal interval fuzzy preference relation is constructed by using the induced ordered weighted averaging operator, where the associated weights of characterizing the operator are based on the defined consistency measure. Fourth, a similarity degree between complete interval fuzzy preference relations and the ideal one is defined. The similarity degree is related to the associated weights, and used to aggregate the experts' preference relations in such a way that more importance is given to ones with the higher similarity degree. Finally, a new algorithm is given to solve the GDM problem with incomplete interval fuzzy preference relations, which is further applied to partnership selection in formation of virtual enterprises. PMID:24081882

  15. FORMATION OF PICS (PRODUCTS OF INCOMPLETE COMBUSTION) FROM THE COMBUSTION OF CHLORINATED MATERIALS

    EPA Science Inventory

    The formation of unwanted Products of Incomplete Combustion (PICs) from the incineration of hazardous wastes under sub-optimal conditions must be avoided if incineration is to be effectively used to treat hazardous wastes. Studies of the thermal behavior of chlorinated C1s (metha...

  16. Identification of Docking Possibility Criteria including Recovery from Incomplete Grasping of Docking Mechanism for Nanosatellite

    NASA Astrophysics Data System (ADS)

    Ui, Kyoichi; Matunaga, Saburo

    This paper deals with a docking methodology for inspection and measurement missions with nanosatellites (less than 50kg in mass). According to the proposed docking concept where a docking procedure is divided into an approaching/grasping phase and a guiding phase, a functional test model for docking mechanism is designed and assembled to conduct verification experiments. In the paper, the docking methodology, the docking mechanism, and a docking control algorithm are introduced briefly. Three dimensional microgravity experiments using a drop shaft are conducted. In the experiments, the authors classify grasping conditions into two types called “complete grasping” and “incomplete grasping”. In the complete grasping, the docking mechanism can easily guide the nanosatellite to the docking port, but in case of the incomplete grasping, it is difficult to recover from the incomplete grasping to the complete one. The incomplete grasping condition is explained experimentally, and a guiding control algorithm for recovery from the condition is proposed. Finally, docking possibility criteria are identified, and feasibility of the methodology is clarified.

  17. High prevalence of incomplete right bundle branch block in facioscapulohumeral muscular dystrophy without cardiac symptoms

    PubMed Central

    van Dijk, Gaby Pons; van der Kooi, Elly; Behin, Anthony; Smeets, Joep; Timmermans, Janneke; van der Maarel, Silvère; Padberg, George; Voermans, Nicol; van Engelen, Baziel

    2014-01-01

    Summary The exact prevalence and nature of cardiac involvement in facioscapulohumeral muscular dystrophy (FSHD) is unknown. Nevertheless, the current opinion is that symptomatic cardiac disease is rare. We performed a cardiac screening [electrocardiogram (ECG) and echocardiography in the event of ECG abnormalities] in 75 genetically confirmed, ambulant FSHD patients without cardiac symptoms, with an eight-year follow-up of 57 patients, and compared the findings with results of previously performed cardiac screenings in the normal population. Baseline ECG demonstrated incomplete right bundle branch block (RBBB) in 33%, complete RBBB in 4%, and other minor abnormalities in 16%. Echocardiography showed no abnormalities. No significant changes were found after eight years of follow-up. Comparison with ECG abnormalities in the normal population showed a higher prevalence of incomplete RBBB (9.7 times higher) and of complete RBBB (4.8 times higher) in FSHD patients. This study in cardiac asymptomatic FSHD patients shows i) increased prevalence of incomplete RBBB in the absence of cardiomyopathy; ii) no progression of these abnormalities during eight years of follow-up. We conclude that FSHD patients without cardiac complaints do not need specific cardiac screening or surveillance. Furthermore, the increased prevalence of incomplete RBBB in the absence of cardiomyopathy suggests a selective involvement of the His-Purkinje system in FSHD. PMID:25473735

  18. Designedly Incomplete Utterances: A Pedagogical Practice for Eliciting Knowledge Displays in Error Correction Sequences.

    ERIC Educational Resources Information Center

    Koshik, Irene

    2002-01-01

    Uses a conversation analytic framework to analyze a practice used by teachers in 1-0-1, second language writing conferences when eliciting self-correction of students' written language errors. This type of turn used to elicit a knowledge display from the student is labeled designedly incomplete utterance (DIU). Teachers use DIUs made up of…

  19. DEVELOPMENT OF A HAZARDOUS WASTE INCINERATOR TARGET ANALYTE LIST OF PRODUCTS OF INCOMPLETE COMBUSTION

    EPA Science Inventory

    The report gives results of pilot-scale incineration testing to develop a comprehensive list of products of incomplete combustion (PICs) from hazardous waste combustion (HWC) systems. Project goals were to: (1) identify the total mass of organic compounds sufficiently to estimate...

  20. Changes in Body Temperature in Incomplete Spinal Cord Injury by Digital Infrared Thermographic Imaging

    PubMed Central

    Song, Yun-Gyu; Won, Yu Hui; Park, Sung-Hee; Ko, Myoung-Hwan

    2015-01-01

    Objective To investigate changes in the core temperature and body surface temperature in patients with incomplete spinal cord injuries (SCI). In incomplete SCI, the temperature change is difficult to see compared with complete spinal cord injuries. The goal of this study was to better understand thermal regulation in patients with incomplete SCI. Methods Fifty-six SCI patients were enrolled, and the control group consisted of 20 healthy persons. The spinal cord injuries were classified according to International Standards for Neurological Classification of Spinal Cord Injury. The patients were classified into two groups: upper (neurological injury level T6 or above) and lower (neurological injury level T7 or below) SCIs. Body core temperature was measured using an oral thermometer, and body surface temperature was measured using digital infrared thermographic imaging. Results Twenty-nine patients had upper spinal cord injuries, 27 patients had lower SCIs, and 20 persons served as the normal healthy persons. Comparing the skin temperatures of the three groups, the temperatures at the lower abdomen, anterior thigh and anterior tibia in the patients with upper SCIs were lower than those of the normal healthy persons and the patients with lower SCIs. No significant temperature differences were observed between the normal healthy persons and the patients with lower SCIs. Conclusion In our study, we found thermal dysregulation in patients with incomplete SCI. In particular, body surface temperature regulation was worse in upper SCIs than in lower injuries. Moreover, cord injury severity affected body surface temperature regulation in SCI patients. PMID:26605167

  1. Estimation of the KR20 Reliability Coefficient When Data Are Incomplete.

    ERIC Educational Resources Information Center

    Huynh, Huynh

    Three techniques for estimating Kuder Richardson reliability (KR20) coefficients for incomplete data are contrasted. The methods are: (1) Henderson's Method 1 (analysis of variance, or ANOVA); (2) Henderson's Method 3 (FITCO); and (3) Koch's method of symmetric sums (SYSUM). A Monte Carlo simulation was used to assess the precision of the three…

  2. Review of "Incomplete: How Middle Class Schools Aren't Making the Grade". Think Tank Review

    ERIC Educational Resources Information Center

    Baker, Bruce D.

    2011-01-01

    "Incomplete: How Middle Class Schools Aren't Making the Grade" is a new report from Third Way, a Washington, D.C.-based policy think tank. The report aims to convince parents, taxpayers and policymakers that they should be as concerned about middle-class schools not making the grade as they are about the failures of the nation's large, poor, urban…

  3. PRODUCTS OF INCOMPLETE COMBUSTION FROM DIRECT BURNING OF PENTACHLOROPHENOL-TREATED WOOD WASTES

    EPA Science Inventory

    The report gives results of a study to identify potential air pollution problems from the combustion of waste wood treated with pentachlorophenol preservative for energy production in a boiler. The study emphasized the characterization of the products of incomplete combustion (PI...

  4. 40 CFR 1037.620 - Shipment of incomplete vehicles to secondary vehicle manufacturers.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 33 2014-07-01 2014-07-01 false Shipment of incomplete vehicles to secondary vehicle manufacturers. 1037.620 Section 1037.620 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR POLLUTION CONTROLS CONTROL OF EMISSIONS FROM NEW HEAVY-DUTY MOTOR VEHICLES Special Compliance Provisions §...

  5. Back to Basics: Incomplete Knowledge of Differential Object Marking in Spanish Heritage Speakers

    ERIC Educational Resources Information Center

    Montrul, Silvina; Bowles, Melissa

    2009-01-01

    The obligatory use of the preposition a with animate, specific direct objects in Spanish ("Juan conoce a Maria" "Juan knows Maria") is a well-known instance of Differential Object Marking (DOM; Torrego, 1998; Leonetti, 2004). Recent studies have documented the loss and/or incomplete acquisition of several grammatical features in Spanish heritage…

  6. Probabilistic learning from incomplete data for recognition of activities of daily living in smart homes.

    PubMed

    Zhang, Shuai; McClean, Sally I; Scotney, Bryan W

    2012-05-01

    Learning behavioral patterns for activities of daily living in a smart home environment can be challenged by the limited number of training data that may be available. This may be due to the infrequent repetition of routine activities (e.g., once daily), the expense of using observers to label activities, and the intrusion that would be caused by the presence of observers over long time periods. It is important, therefore, to make as much use of any labeled data that are collected, however, incomplete these data may be. In this paper, we propose an algorithm for learning behavioral patterns for multi-inhabitants living in a single smart home environment, by making full use of all limited labeled activities, including incomplete data resulting from unreliable low-level sensors in this environment. Through maximum-likelihood estimation, using Expectation-Maximization, we build a model that captures both environmental uncertainties from sensor readings and user uncertainties, including variations in how individuals carry out activities. Our algorithm outperforms models that cannot handle data incompleteness, with increasing performance gains as incompleteness increases. The approach also enables the impact of particular sensors to be assessed and can thus inform sensor maintenance and deployment. PMID:22411044

  7. 7 CFR 1924.11 - District Director's review of incomplete development.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... Director will make a comprehensive review of all development work not completed within the time scheduled... such case. (c) If the borrower has not completed development work within 3 years after the date of loan... 7 Agriculture 12 2013-01-01 2013-01-01 false District Director's review of incomplete...

  8. 7 CFR 1924.11 - District Director's review of incomplete development.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Director will make a comprehensive review of all development work not completed within the time scheduled... such case. (c) If the borrower has not completed development work within 3 years after the date of loan... 7 Agriculture 12 2014-01-01 2013-01-01 true District Director's review of incomplete...

  9. 7 CFR 1924.11 - District Director's review of incomplete development.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Director will make a comprehensive review of all development work not completed within the time scheduled... such case. (c) If the borrower has not completed development work within 3 years after the date of loan... 7 Agriculture 12 2012-01-01 2012-01-01 false District Director's review of incomplete...

  10. 16 CFR 1702.4 - Petitions with insufficient or incomplete information.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Petitions with insufficient or incomplete information. 1702.4 Section 1702.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION POISON PREVENTION PACKAGING ACT OF 1970 REGULATIONS PETITIONS FOR EXEMPTIONS FROM POISON PREVENTION PACKAGING ACT...

  11. 16 CFR 1702.4 - Petitions with insufficient or incomplete information.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Petitions with insufficient or incomplete information. 1702.4 Section 1702.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION POISON PREVENTION PACKAGING ACT OF 1970 REGULATIONS PETITIONS FOR EXEMPTIONS FROM POISON PREVENTION PACKAGING ACT...

  12. 16 CFR 1702.4 - Petitions with insufficient or incomplete information.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Petitions with insufficient or incomplete information. 1702.4 Section 1702.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION POISON PREVENTION PACKAGING ACT OF 1970 REGULATIONS PETITIONS FOR EXEMPTIONS FROM POISON PREVENTION PACKAGING ACT...

  13. 16 CFR 1702.4 - Petitions with insufficient or incomplete information.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Petitions with insufficient or incomplete information. 1702.4 Section 1702.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION POISON PREVENTION PACKAGING ACT OF 1970 REGULATIONS PETITIONS FOR EXEMPTIONS FROM POISON PREVENTION PACKAGING ACT...

  14. 16 CFR 1702.4 - Petitions with insufficient or incomplete information.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Petitions with insufficient or incomplete information. 1702.4 Section 1702.4 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION POISON PREVENTION PACKAGING ACT OF 1970 REGULATIONS PETITIONS FOR EXEMPTIONS FROM POISON PREVENTION PACKAGING ACT...

  15. Clusters of mobile molecules in supercooled water

    NASA Astrophysics Data System (ADS)

    Giovambattista, Nicolas; Buldyrev, Sergey V.; Stanley, H. Eugene; Starr, Francis W.

    2005-07-01

    We study the spatially heterogeneous dynamics in water via molecular dynamics simulations using the extended simple point charge potential. We identify clusters formed by mobile molecules and study their properties. We find that these clusters grow in size and become more compact as temperature decreases. We analyze the probability density function of cluster size, and we study the cluster correlation length. We find that clusters appear to be characterized by a fractal dimension consistent with that of lattice animals. We relate the cluster size and correlation length to the configurational entropy, Sconf . We find that these quantities depend weakly on 1/Sconf . In particular, the linearity found between the cluster mass n* and 1/Sconf suggests that n* may be interpreted as the mass of the cooperatively rearranging regions that form the basis of the Adam-Gibbs approach to the dynamics of supercooled liquids. We study the motion of molecules within a cluster, and find that each molecule preferentially follows a neighboring molecule in the same cluster. Based on this finding we hypothesize that stringlike cooperative motion may be a general mechanism for molecular rearrangement of complex, as well as simple liquids. By mapping each equilibrium configuration onto its corresponding local potential energy minimum or inherent structure (IS), we are able to compare the mobile molecule clusters in the equilibrium system with the molecules forming the clusters identified in the transitions between IS. We find that (i) mobile molecule clusters obtained by comparing different system configurations and (ii) clusters obtained by comparing the corresponding IS are completely different for short time scales, but are the same on the longer time scales of diffusive motion.

  16. Form classification

    NASA Astrophysics Data System (ADS)

    Reddy, K. V. Umamaheswara; Govindaraju, Venu

    2008-01-01

    The problem of form classification is to assign a single-page form image to one of a set of predefined form types or classes. We classify the form images using low level pixel density information from the binary images of the documents. In this paper, we solve the form classification problem with a classifier based on the k-means algorithm, supported by adaptive boosting. Our classification method is tested on the NIST scanned tax forms data bases (special forms databases 2 and 6) which include machine-typed and handwritten documents. Our method improves the performance over published results on the same databases, while still using a simple set of image features.

  17. Outcome following incomplete surgical cytoreduction combined with intraperitoneal chemotherapy for colorectal peritoneal metastases

    PubMed Central

    Heaney, Roisin Mary; Shields, Conor; Mulsow, Jurgen

    2015-01-01

    Cytoreductive surgery combined with intraperitoneal chemotherapy can improve survival in appropriately selected patients with colorectal peritoneal metastases. Outcomes are best in those patients in whom a complete cytoreduction can be achieved. Unresectable disease is however encountered in approximately one-quarter of patients at laparotomy. The merits, or otherwise, of proceeding with an incomplete cytoreduction in this setting are unclear. We performed a review of published outcomes following incomplete cytoreduction for colorectal peritoneal metastases. Using the electronic databases, PubMed and MEDLINE, a systematic search of available literature published during the period January 1997 to September 2014 was conducted. Following application of exclusion criteria, 19 papers were identified and included in this review. These comprised fifteen case series, 3 case control studies and one randomised control trial. In the nineteen studies included in this review, 2790 patients underwent cytoreductive surgery with or without intraperitoneal chemotherapy for peritoneal metastases of colorectal origin. Of these, 1732 (62%) underwent a complete cytoreduction while 986 (35%) patients underwent an incomplete cytoreduction. Median survival in the complete cytoreduction group ranged from 11 to 62 mo while survival in the latter group ranged from 2.4 to 32 mo. Of the 986 patients with an incomplete cytoreduction, 331 patients received intraperitoneal chemotherapy and survival in this cohort ranged from 4.5 to 32 mo. An incomplete cytoreduction, with or without intraperitoneal chemotherapy, does not appear to confer a survival benefit. The limited available data points to a palliative benefit in a subset of patients. In the absence of high quality data, the decision as to whether or not to proceed with surgery should be made on an individual patient basis. PMID:26688707

  18. Algebraic theory of molecules

    NASA Technical Reports Server (NTRS)

    Iachello, Franco

    1995-01-01

    An algebraic formulation of quantum mechanics is presented. In this formulation, operators of interest are expanded onto elements of an algebra, G. For bound state problems in nu dimensions the algebra G is taken to be U(nu + 1). Applications to the structure of molecules are presented.

  19. Mighty Molecule Models

    ERIC Educational Resources Information Center

    Brown, Tom; Rushton, Greg; Bencomo, Marie

    2008-01-01

    As part of the SMATHematics Project: The Wonder of Science, The Power of Mathematics--a collaborative partnership between Kennesaw State University and two local school districts, fifth graders had the opportunity to puzzle out chemical formulas of propane, methanol, and other important molecules. In addition, they explored properties that…

  20. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  1. The Science of Molecules

    ERIC Educational Resources Information Center

    Flory, Paul J.

    1974-01-01

    The author maintains that chemistry has a key role as the science of molecules and rejects the concept of chemistry as a branch of physics. The scope of chemistry, the philosophies underlying its practice, and the teaching of the subject also are discussed. (DT)

  2. Complex organic molecules and star formation

    NASA Astrophysics Data System (ADS)

    Bacmann, A.; Faure, A.

    2014-12-01

    Star forming regions are characterised by the presence of a wealth of chemical species. For the past two to three decades, ever more complex organic species have been detected in the hot cores of protostars. The evolution of these molecules in the course of the star forming process is still uncertain, but it is likely that they are partially incorporated into protoplanetary disks and then into planetesimals and the small bodies of planetary systems. The complex organic molecules seen in star forming regions are particularly interesting since they probably make up building blocks for prebiotic chemistry. Recently we showed that these species were also present in the cold gas in prestellar cores, which represent the very first stages of star formation. These detections question the models which were until now accepted to account for the presence of complex organic molecules in star forming regions. In this article, we shortly review our current understanding of complex organic molecule formation in the early stages of star formation, in hot and cold cores alike and present new results on the formation of their likely precursor radicals.

  3. The Molecules of the Cell Membrane.

    ERIC Educational Resources Information Center

    Bretscher, Mark S.

    1985-01-01

    Cell membrane molecules form a simple, two-dimensional liquid controlling what enters and leaves the cell. Discusses cell membrane molecular architecture, plasma membranes, epithelial cells, cycles of endocytosis and exocytosis, and other topics. Indicates that some cells internalize, then recycle, membrane area equivalent to their entire surface…

  4. Transport properties of asymmetric-top molecules.

    PubMed

    Dickinson, A S; Hellmann, R; Bich, E; Vogel, E

    2007-06-14

    Kinetic theory of gases is extended from linear molecules to asymmetric tops. The integration over the velocity of the centre of mass is carried out explicitly and the results are expressed in a form suitable for classical evaluation. These results can also be employed for spherical and symmetric tops. PMID:17538728

  5. OMG: Open Molecule Generator

    PubMed Central

    2012-01-01

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck. PMID:22985496

  6. OMG: Open Molecule Generator.

    PubMed

    Peironcely, Julio E; Rojas-Chertó, Miguel; Fichera, Davide; Reijmers, Theo; Coulier, Leon; Faulon, Jean-Loup; Hankemeier, Thomas

    2012-01-01

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck. PMID:22985496

  7. Lunar volatile depletion due to incomplete accretion within an impact-generated disk

    NASA Astrophysics Data System (ADS)

    Canup, Robin M.; Visscher, Channon; Salmon, Julien; Fegley, Bruce

    2015-11-01

    The Moon likely formed from a disk produced by a giant impact with the Earth. The Moon and the bulk silicate Earth (BSE) share many compositional similarities (e.g., Ringwood 1979; Dauphas et al. 2014). However compared with the BSE, the Moon is more depleted in volatile elements, including moderately volatile K and Na, as well as more highly volatile elements, e.g., Zn (e.g., O’Neill 1991; Taylor & Wieczorek 2014). The origin of this depletion is poorly understood. Prior results suggest escape (e.g., Paniello et al. 2012), but at least hydrodynamic escape appears minimal for expected disk conditions (Nakajima & Stevenson 2014).In the limit of no escape and a closed system, a depletion could instead result if disk volatiles were preferentially accreted by the Earth rather than by the Moon. Taylor et al. (2006) advocated that the lunar depletion pattern is most consistent with incomplete condensation from an initially high temperature vapor, with the accretion of condensates by the Moon “cut-off” at a temperature allowing incorporation of a small component of alkalis (e.g., K and Na) but only a tiny fraction of more volatile elements (e.g., Zn). Neither the mechanism that would produce the cut-off, nor what the relevant cut-off temperature would be in an oxygen-rich protolunar disk (e.g., Visscher & Fegley 2013), were known.We identify a mechanism wherein a depletion results because disk volatiles are preferentially accreted by the Earth rather than by the Moon. The Moon may acquire the final tens to 60% of its mass from melt originating from the inner portions of the disk (Salmon & Canup 2012). Initially the inner disk melt is hot and volatile-poor, but as the disk cools, volatiles condense. We combine dynamical, thermal and chemical models to show that delivery of inner disk material to the Moon effectively ends as gravitational interactions cause the Moon’s orbit to expand away from the disk, with this cut-off occurring prior to condensation of key

  8. Bacterial invasion reconstructed molecule by molecule

    SciTech Connect

    Werner, James H

    2009-01-01

    We propose to visualize the initial stages of bacterial infection of a human host cell with unmatched spatial and temporal resolution. This work will develop a new capability for the laboratory (super-resolution optical imaging), will test unresolved scientific hypotheses regarding host-pathogen interaction dynamics, and leverages state of the art 3D molecular tracking instrumentation developed recently by our group. There is much to be gained by applying new single molecule tools to the important and familiar problem of pathogen entry into a host cell. For example, conventional fluorescence microscopy has identified key host receptors, such as CD44 and {alpha}5{beta}1 integrin, that aggregate near the site of Salmonella typhimurium infection of human cells. However, due to the small size of the bacteria ({approx} 2 {micro}m) and the diffraction of the emitted light, one just sees a fluorescent 'blob' of host receptors that aggregate at the site of attachment, making it difficult to determine the exact number of receptors present or whether there is any particular spatial arrangement of the receptors that facilitates bacterial adhesion/entry. Using newly developed single molecule based super-resolution imaging methods, we will visualize how host receptors are directed to the site of pathogen adhesion and whether host receptors adopt a specific spatial arrangement for successful infection. Furthermore, we will employ our 3D molecular tracking methods to follow the injection of virulence proteins, or effectors, into the host cell by the pathogen Type III secretion system (TTSS). We expect these studies to provide mechanistic insights into the early events of pathogen infection that have here-to-fore been technically beyond our reach. Our Research Goals are: Goal 1--Construct a super-resolution fluorescence microscope and use this new capability to image the spatial distribution of different host receptors (e.g. CD44, as {alpha}5{beta}1 integrin) at the point of

  9. Student Use of Physics to Make Sense of Incomplete but Functional VPython Programs in a Lab Setting

    NASA Astrophysics Data System (ADS)

    Weatherford, Shawn A.

    2011-12-01

    Computational activities in Matter & Interactions, an introductory calculus-based physics course, have the instructional goal of providing students with the experience of applying the same set of a small number of fundamental principles to model a wide range of physical systems. However there are significant instructional challenges for students to build computer programs under limited time constraints, especially for students who are unfamiliar with programming languages and concepts. Prior attempts at designing effective computational activities were successful at having students ultimately build working VPython programs under the tutelage of experienced teaching assistants in a studio lab setting. A pilot study revealed that students who completed these computational activities had significant difficultly repeating the exact same tasks and further, had difficulty predicting the animation that would be produced by the example program after interpreting the program code. This study explores the interpretation and prediction tasks as part of an instructional sequence where students are asked to read and comprehend a functional, but incomplete program. Rather than asking students to begin their computational tasks with modifying program code, we explicitly ask students to interpret an existing program that is missing key lines of code. The missing lines of code correspond to the algebraic form of fundamental physics principles or the calculation of forces which would exist between analogous physical objects in the natural world. Students are then asked to draw a prediction of what they would see in the simulation produced by the VPython program and ultimately run the program to evaluate the students' prediction. This study specifically looks at how the participants use physics while interpreting the program code and creating a whiteboard prediction. This study also examines how students evaluate their understanding of the program and modification goals at the

  10. Sol-gel method for encapsulating molecules

    DOEpatents

    Brinker, C. Jeffrey; Ashley, Carol S.; Bhatia, Rimple; Singh, Anup K.

    2002-01-01

    A method for encapsulating organic molecules, and in particular, biomolecules using sol-gel chemistry. A silica sol is prepared from an aqueous alkali metal silicate solution, such as a mixture of silicon dioxide and sodium or potassium oxide in water. The pH is adjusted to a suitably low value to stabilize the sol by minimizing the rate of siloxane condensation, thereby allowing storage stability of the sol prior to gelation. The organic molecules, generally in solution, is then added with the organic molecules being encapsulated in the sol matrix. After aging, either a thin film can be prepared or a gel can be formed with the encapsulated molecules. Depending upon the acid used, pH, and other processing conditions, the gelation time can be from one minute up to several days. In the method of the present invention, no alcohols are generated as by-products during the sol-gel and encapsulation steps. The organic molecules can be added at any desired pH value, where the pH value is generally chosen to achieve the desired reactivity of the organic molecules. The method of the present invention thereby presents a sufficiently mild encapsulation method to retain a significant portion of the activity of the biomolecules, compared with the activity of the biomolecules in free solution.

  11. Quantum-classical lifetimes of Rydberg molecules

    NASA Astrophysics Data System (ADS)

    Junginger, Andrej; Main, Jörg; Wunner, Günter

    2013-04-01

    A remarkable property of Rydberg atoms is the possibility of creating molecules formed by one highly excited atom and another atom in the ground state. The first realization of such a Rydberg molecule has opened an active field of physical investigations, and showed that its basic properties can be described within a simple model regarding the ground state atom as a small perturber that is bound by a low-energy scattering process with the Rydberg electron (Greene et al 2000 Phys. Rev. Lett. 85 2458). Besides the good agreement between theory and the experiment concerning the vibrational states of the molecule, the experimental observations yield the astonishing feature that the lifetime of the molecule is clearly reduced as compared to the bare Rydberg atom (Butscher et al 2011 J. Phys. B: At. Mol. Opt. Phys. 44 184004). With focus on this yet unexplained observation, we investigate in this paper the vibrational ground state of the molecule in a quantum-classical framework. We show that the Rydberg wavefunction is continuously detuned by the presence of the moving ground state atom and that the timescale on which the detuning significantly exceeds the natural linewidth is in good agreement with the observed reduced lifetimes of the Rydberg molecule.

  12. Laser-Assisted Single Molecule Refolding

    NASA Astrophysics Data System (ADS)

    Zhao, Rui; Marshall, Myles; Aleman, Elvin; Lamichhane, Rajan; Rueda, David

    2010-03-01

    In vivo, many RNA molecules can adopt multiple conformations depending on their biological context such as the HIV Dimerization Initiation Sequence (DIS) or the DsrA RNA in bacteria. It is quite common that the initial interaction between the two RNAs takes place via complementary unpaired regions, thus forming a so-called kissing complex. However, the exact kinetic mechanism by which the two RNA molecules reach the dimerized state is still not well understood. To investigate the refolding energy surface of RNA molecules, we have developed new technology based on the combination of single molecule spectroscopy with laser induced temperature jump kinetics, called Laser Assisted Single-molecule Refolding (LASR). LASR enables us to induce folding reactions of otherwise kinetically trapped RNAs at the single molecule level, and to characterize their folding landscape. LASR provides an exciting new approach to study molecular memory effects and kinetically trapped RNAs in general. LASR should be readily applicable to study DNA and protein folding as well.

  13. Self-Assemblies of novel molecules, VECAR

    NASA Astrophysics Data System (ADS)

    Shrestha, Bijay; Kim, Hye-Young; Lee, Soojin; Novak, Brian; Moldovan, Dorel

    2015-03-01

    VECAR is a newly synthesized molecule, which is an amphiphilic antioxidant molecule that consists of two molecular groups, vitamin-E and Carnosine, linked by a hydrocarbon chain. The hydrocarbon chain is hydrophobic and both vitamin-E and Carnosine ends are hydrophilic. In the synthesis process, the length of the hydrophobic chain of VECAR molecules can vary from the shortest (n =0) to the longest (n =18), where n indicates the number of carbon atoms in the chain. We conducted MD simulation studies of self-assembly of VECAR molecules in water using GROMACS on LONI HPC resources. Our study shows that there is a strong correlation between the shape and atomistic structure of the self-assembled nano-structures (SANs) and the chain-length (n) of VECAR molecules. We will report the results of data analyses including the atomistic structure of each SANs and the dynamic and energetic mechanisms of their formation as function of time. In summary, both VECAR molecules of chain-length n =18 and 9 form worm-like micelles, which may be used as a drug delivery system. This research is supported by the Louisiana Board of Regents-RCS Grant (LEQSF(2012-15)-RD-A-19).

  14. Identification of the growth hormone-releasing hormone analogue [Pro1, Val14]-hGHRH with an incomplete C-term amidation in a confiscated product.

    PubMed

    Esposito, Simone; Deventer, Koen; Van Eenoo, Peter

    2014-01-01

    In this work, a modified version of the 44 amino acid human growth hormone-releasing hormone (hGHRH(1-44)) containing an N-terminal proline extension, a valine residue in position 14, and a C-terminus amidation (sequence: PYADAIFTNSYRKVVLGQLSARKLLQDIMSRQQGESNQERGARARL-NH2 ) has been identified in a confiscated product by liquid chromatography-high resolution mass spectrometry (LC-HRMS). Investigation of the product suggests also an incomplete C-term amidation. Similarly to other hGHRH analogues, available in black markets, this peptide can potentially be used as performance-enhancing drug due to its growth hormone releasing activity and therefore it should be considered as a prohibited substance in sport. Additionally, the presence of partially amidated molecule reveals the poor pharmaceutical quality of the preparation, an aspect which represents a big concern for public health as well. PMID:25283153

  15. Single-molecule electrophoresis

    SciTech Connect

    Castro, A.; Shera, E.B.

    1995-09-15

    A novel method for the detection and identification of single molecules in solution has been devised, computer simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required for individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed before-hand in order to estimate the experimental feasibility of the method and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented. 20 refs., 8 figs.

  16. Permission Forms

    ERIC Educational Resources Information Center

    Zirkel, Perry A.

    2005-01-01

    The prevailing practice in public schools is to routinely require permission or release forms for field trips and other activities that pose potential for liability. The legal status of such forms varies, but they are generally considered to be neither rock-solid protection nor legally valueless in terms of immunity. The following case and the…

  17. Strange skyrmion molecules

    NASA Astrophysics Data System (ADS)

    Kopeliovich, Vladimir B.; Stern, Boris E.

    1997-05-01

    Composed skyrmions with B=2, strangeness content close to 0.5 and the binding energy of several tens of Mev are described. These skyrmions are obtained starting from the system of two B=1 hedgehogs located in different SU(2) subgroups of SU(3) and have the mass and baryon number distribution of molecular (dipole) type. The quantization of zero modes of skyrmion molecules and physics consequences of their existence are discussed.

  18. Strange skyrmion molecules

    SciTech Connect

    Kopeliovich, Vladimir B.; Stern, Boris E.

    1997-05-20

    Composed skyrmions with B=2, strangeness content close to 0.5 and the binding energy of several tens of Mev are described. These skyrmions are obtained starting from the system of two B=1 hedgehogs located in different SU(2) subgroups of SU(3) and have the mass and baryon number distribution of molecular (dipole) type. The quantization of zero modes of skyrmion molecules and physics consequences of their existence are discussed.

  19. Single Molecule Mechanochemistry

    NASA Astrophysics Data System (ADS)

    Li, Shaowei; Zhang, Yanxing; Ho, Wilson; Wu, Ruqian; Ruqian Wu, Yanxing Zhang Team; Wilson Ho, Shaowei Li Team

    Mechanical forces can be used to trigger chemical reactions through bending and stretching of chemical bonds. Using the reciprocating movement of the tip of a scanning tunneling microscope (STM), mechanical energy can be provided to a single molecule sandwiched between the tip and substrate. When the mechanical pulse center was moved to the outer ring feature of a CO molecule, the reaction rate was significantly increased compared with bare Cu surface and over Au atoms. First, DFT calculations show that the presence of CO makes the Cu cavity more attractive toward H2 Second, H2 prefers the horizontal adsorption geometry in the Cu-Cu and Au-Cu cavities and no hybridization occurs between the antibonding states of H2 and states of Cu atoms. While H2 loses electrons from its bonding state in all three cavities, the filling of its anti-bonding state only occurs in the CO-Cu cavity. Both make the CO-Cu cavity much more effectively to chop the H2 molecule. Work was supported by the National Science Foundation Center for Chemical Innovation on Chemistry at the Space-Time Limit (CaSTL) under Grant No. CHE-1414466.

  20. Model molecules mimicking asphaltenes.

    PubMed

    Sjöblom, Johan; Simon, Sébastien; Xu, Zhenghe

    2015-04-01

    Asphalthenes are typically defined as the fraction of petroleum insoluble in n-alkanes (typically heptane, but also hexane or pentane) but soluble in toluene. This fraction causes problems of emulsion formation and deposition/precipitation during crude oil production, processing and transport. From the definition it follows that asphaltenes are not a homogeneous fraction but is composed of molecules polydisperse in molecular weight, structure and functionalities. Their complexity makes the understanding of their properties difficult. Proper model molecules with well-defined structures which can resemble the properties of real asphaltenes can help to improve this understanding. Over the last ten years different research groups have proposed different asphaltene model molecules and studied them to determine how well they can mimic the properties of asphaltenes and determine the mechanisms behind the properties of asphaltenes. This article reviews the properties of the different classes of model compounds proposed and present their properties by comparison with fractionated asphaltenes. After presenting the interest of developing model asphaltenes, the composition and properties of asphaltenes are presented, followed by the presentation of approaches and accomplishments of different schools working on asphaltene model compounds. The presentation of bulk and interfacial properties of perylene-based model asphaltene compounds developed by Sjöblom et al. is the subject of the next part. Finally the emulsion-stabilization properties of fractionated asphaltenes and model asphaltene compounds is presented and discussed. PMID:25638443

  1. Epithelial Cell Adhesion Molecule

    PubMed Central

    Trzpis, Monika; McLaughlin, Pamela M.J.; de Leij, Lou M.F.H.; Harmsen, Martin C.

    2007-01-01

    The epithelial cell adhesion molecule (EpCAM, CD326) is a glycoprotein of ∼40 kd that was originally identified as a marker for carcinoma, attributable to its high expression on rapidly proliferating tumors of epithelial origin. Normal epithelia express EpCAM at a variable but generally lower level than carcinoma cells. In early studies, EpCAM was proposed to be a cell-cell adhesion molecule. However, recent insights revealed a more versatile role for EpCAM that is not limited only to cell adhesion but includes diverse processes such as signaling, cell migration, proliferation, and differentiation. Cell surface expression of EpCAM may actually prevent cell-cell adhesion. Here, we provide a comprehensive review of the current knowledge on EpCAM biology in relation to other cell adhesion molecules. We discuss the implications of the newly identified functions of EpCAM in view of its prognostic relevance in carcinoma, inflammatory pathophysiology, and tissue development and regeneration as well as its role in normal epithelial homeostasis. PMID:17600130

  2. Modelling water molecules inside cyclic peptide nanotubes

    NASA Astrophysics Data System (ADS)

    Tiangtrong, Prangsai; Thamwattana, Ngamta; Baowan, Duangkamon

    2016-03-01

    Cyclic peptide nanotubes occur during the self-assembly process of cyclic peptides. Due to the ease of synthesis and ability to control the properties of outer surface and inner diameter by manipulating the functional side chains and the number of amino acids, cyclic peptide nanotubes have attracted much interest from many research areas. A potential application of peptide nanotubes is their use as artificial transmembrane channels for transporting ions, biomolecules and waters into cells. Here, we use the Lennard-Jones potential and a continuum approach to study the interaction of a water molecule in a cyclo[(- D-Ala- L-Ala)_4-] peptide nanotube. Assuming that each unit of a nanotube comprises an inner and an outer tube and that a water molecule is made up of a sphere of two hydrogen atoms uniformly distributed over its surface and a single oxygen atom at the centre, we determine analytically the interaction energy of the water molecule and the peptide nanotube. Using this energy, we find that, independent of the number of peptide units, the water molecule will be accepted inside the nanotube. Once inside the nanotube, we show that a water molecule prefers to be off-axis, closer to the surface of the inner nanotube. Furthermore, our study of two water molecules inside the peptide nanotube supports the finding that water molecules form an array of a 1-2-1-2 file inside peptide nanotubes. The theoretical study presented here can facilitate thorough understanding of the behaviour of water molecules inside peptide nanotubes for applications, such as artificial transmembrane channels.

  3. The secondary contact zone of phylogenetic lineages of the Philaenus spumarius (Hemiptera: Aphrophoridae): an example of incomplete allopatric speciation.

    PubMed

    Lis, Agata; Maryańska-Nadachowska, Anna; Lachowska-Cierlik, Dorota; Kajtoch, Lukasz

    2014-01-01

    Previous studies on the phylogeography of the meadow spittlebug Philaenus spumarius (L.) (Hemiptera: Aphrophoridae) suggest the existence of a contact zone of its main phylogenetic lineages along mountain chains in Europe and western Asia. This study presents a detailed examination of the population genetics of P. spumarius within the Carpathian Mountains. The main objective was to determine whether the populations inhabiting that area consist of individuals belonging to different genetic units and whether the observed pattern could be an example of secondary contact zone which formed after incomplete allopatric speciation. Specimens from six transects across the Carpathian arc were examined. The mitochondrial phylogeography of the meadow spittlebug in the examined area clearly shows that individuals from both main clades meet and mix there. Representatives of all three main EF1-α clades were also found. The present distribution of the main clades with a zone of overlap along the mountain ranges may suggest that these phylogenetic lineages form a young hybrid zone. Moreover, a limited number of individuals were shown to possess heteroplasmic mitochondrial DNA, which gives additional support to intraspecific hybridization. P. spumarius could be used in future work as an excellent model species in investigating population genetics, intraspecific hybridization, and speciation in progress. PMID:25500280

  4. The secondary contact zone of phylogenetic lineages of the Philaenus spumarius (Hemiptera: Aphrophoridae: Cercopidae): an example of incomplete allopatric speciation.

    PubMed

    Lis, Agata; Maryańska-Nadachowska, Anna; Lachowska-Cierlik, Dorota; Kajtoch, Łukasz

    2014-01-01

    Previous studies on the phylogeography of the meadow spittlebug Philaenus spumarius (L.) (Hemiptera: Aphrophoridae: Cercopidae) suggest the existence of a contact zone of its main phylogenetic lineages along mountain chains in Europe and western Asia. This study presents a detailed examination of the population genetics of P. spumarius within the Carpathian Mountains. The main objective was to determine whether the populations inhabiting that area consist of individuals belonging to different genetic units and whether the observed pattern could be an example of secondary contact zone which formed after incomplete allopatric speciation. Specimens from six transects across the Carpathian arc were examined. The mitochondrial phylogeography of the meadow spittlebug in the examined area clearly shows that individuals from both main clades meet and mix there. Representatives of all three main EF1-α clades were also found. The present distribution of the main clades with a zone of overlap along the mountain ranges may suggest that these phylogenetic lineages form a young hybrid zone. Moreover, a limited number of individuals were shown to possess heteroplasmic mitochondrial DNA, which gives additional support to intraspecific hybridization. P. spumarius could be used in future work as an excellent model species in investigating population genetics, intraspecific hybridization, and speciation in progress. PMID:25368093

  5. Studying how protein crystals form

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Watching molecules of the iron-storing protein apoferritin come together to form a nucleus reveals some interesting behavior. In this series of images, researchers observed clusters of four molecules at the corners of a diamond shape (top). As more molecules attach to the cluster, they arrange themselves into rods (second from top), and a raft-like configuration of molecules forms the critical nucleus (third from top), suggesting that crystal growth is much slower than it could be were the molecules arranged in a more compact formation. In the final image, a crystallite consisting of three layers containing approximately 60 to 70 molecules each is formed. Atomic force microscopy made visualizing the process of nucleation possible for the first time. The principal investigator is Peter Vekilov, of the University of Alabama in Huntsville. Vekilov's team at UAH studies protein solutions as they change phases from liquids to crystalline solids. They want to know if the molecules in the solution interact with one another, and if so, how, from the perspectives of thermodynamics and kinetics. They want to understand which forces -- electrical, electrostatic, hydrodynamic, or other kinds of forces -- are responsible for the interactions. They also study nucleation, the begirning stage of crystallization. This process is important to understand because it sets the stage for crystal growth in all kinds of solutions and liquid melts that are important in such diverse fields as agriculture, medicine, and the fabrication of metal components. Nucleation can determine the rate of crystal growth, the number of crystals that will be formed, and the quality and size of the crystals.

  6. A Ranking Procedure by Incomplete Pairwise Comparisons Using Information Entropy and Dempster-Shafer Evidence Theory

    PubMed Central

    Pan, Dongbo; Lu, Xi; Liu, Juan; Deng, Yong

    2014-01-01

    Decision-making, as a way to discover the preference of ranking, has been used in various fields. However, owing to the uncertainty in group decision-making, how to rank alternatives by incomplete pairwise comparisons has become an open issue. In this paper, an improved method is proposed for ranking of alternatives by incomplete pairwise comparisons using Dempster-Shafer evidence theory and information entropy. Firstly, taking the probability assignment of the chosen preference into consideration, the comparison of alternatives to each group is addressed. Experiments verified that the information entropy of the data itself can determine the different weight of each group's choices objectively. Numerical examples in group decision-making environments are used to test the effectiveness of the proposed method. Moreover, the divergence of ranking mechanism is analyzed briefly in conclusion section. PMID:25250393

  7. Impact of observational incompleteness on the structural properties of protein interaction networks

    NASA Astrophysics Data System (ADS)

    Kuhnt, Mathias; Glauche, Ingmar; Greiner, Martin

    2007-01-01

    The observed structure of protein interaction networks is corrupted by many false positive/negative links. This observational incompleteness is abstracted as random link removal and a specific, experimentally motivated (spoke) link rearrangement. Their impact on the structural properties of gene-duplication-and-mutation network models is studied. For the degree distribution a curve collapse is found, showing no sensitive dependence on the link removal/rearrangement strengths and disallowing a quantitative extraction of model parameters. The spoke link rearrangement process moves other structural observables, like degree correlations, cluster coefficient and motif frequencies, closer to their counterparts extracted from the yeast data. This underlines the importance to take a precise modeling of the observational incompleteness into account when network structure models are to be quantitatively compared to data.

  8. Colonisation and competition dynamics can explain incomplete sterilisation parasitism in ant-plant symbioses.

    PubMed

    Tarnita, Corina E; Palmer, Todd M; Pringle, Robert M

    2014-10-01

    Sterilisation of parasites prevents host reproduction, thereby diverting host resources to their own benefit. Previous theory predicts that parasites should evolve maximum virulence, yet hosts are often incompletely sterilised. Whereas prior attempts to resolve this paradox have sought evolutionary explanations, we present theory and experiments showing that incomplete sterilisation can arise from ecologically driven fluctuations in parasite load. The African ant-plant Acacia drepanolobium reproduced more when occupied by small colonies of the sterilising symbiont Crematogaster nigriceps. In nature, small colonies result from interference competition between ant colonies; these territorial conflicts thus provide intermittent windows of opportunity for host reproduction. Our mean-field model shows that numerical insufficiency of parasites can produce partial sterilisation of host populations, creating the appearance of reduced virulence even if ants have evolved to sterilise completely. This general framework helps explain both the apparent ubiquity of partial sterilisation parasitism and the ability of these symbiotic associations to persist. PMID:25109706

  9. Imaging a boa constrictor--the incomplete double aortic arch syndrome.

    PubMed

    Narayan, Rajeev L; Kanwar, Anubhav; Jacobi, Adam; Sanz, Javier

    2012-11-01

    Incomplete double aortic arch is a rare anomaly resulting from atresia rather than complete involution in the distal left arch resulting in a non-patent fibrous cord between the left arch and descending thoracic aorta. This anatomic anomaly may cause symptomatic vascular rings, leading to stridor, wheezing, or dysphagia, requiring surgical transection of the fibrous cord. Herein, we describe an asymptomatic 59 year-old man presenting for contrast-enhanced CT angiography to assess cardiac anatomy prior to radiofrequency ablation, who was incidentally found to have an incomplete double aortic arch with hypoplasia of the left arch segment and an aortic diverticulum. Recognition of this abnormality by imaging is important to inform both corrective surgery in symptomatic patients, as well as assist in the planning of percutaneous coronary and vascular interventions. PMID:22542042

  10. A ranking procedure by incomplete pairwise comparisons using information entropy and Dempster-Shafer evidence theory.

    PubMed

    Pan, Dongbo; Lu, Xi; Liu, Juan; Deng, Yong

    2014-01-01

    Decision-making, as a way to discover the preference of ranking, has been used in various fields. However, owing to the uncertainty in group decision-making, how to rank alternatives by incomplete pairwise comparisons has become an open issue. In this paper, an improved method is proposed for ranking of alternatives by incomplete pairwise comparisons using Dempster-Shafer evidence theory and information entropy. Firstly, taking the probability assignment of the chosen preference into consideration, the comparison of alternatives to each group is addressed. Experiments verified that the information entropy of the data itself can determine the different weight of each group's choices objectively. Numerical examples in group decision-making environments are used to test the effectiveness of the proposed method. Moreover, the divergence of ranking mechanism is analyzed briefly in conclusion section. PMID:25250393

  11. The incomplete plasma dispersion function: Properties and application to waves in bounded plasmas

    SciTech Connect

    Baalrud, S. D.

    2013-01-15

    The incomplete plasma dispersion function is a generalization of the plasma dispersion function in which the defining integral spans a semi-infinite, rather than infinite, domain. It is useful for describing the linear dielectric response and wave dispersion in non-Maxwellian plasmas when the distribution functions can be approximated as Maxwellian over finite, or semi-infinite, intervals in velocity phase-space. A ubiquitous example is the depleted Maxwellian electron distribution found near boundary sheaths or double layers, where the passing interval can be modeled as Maxwellian with a lower temperature than the trapped interval. The depleted Maxwellian is used as an example to demonstrate the utility of using the incomplete plasma dispersion function for calculating modifications to wave dispersion relations.

  12. Incomplete optical shielding in cold atom traps: three-dimensional Landau-Zener theory

    SciTech Connect

    Yurovsky, V.A.; Ben-Reuven, A.

    1997-05-01

    Ultracold atom collisions in the presence of a linearly polarized blueshifted laser field are studied theoretically. An analytical solution is presented within the framework of the Landau-Zener approximation. The effect of incomplete shielding is mostly accounted for by incorporating the three-dimensional character of the collisions, using a partial-wave analysis with space degeneracy. A model of two electronic states, including effects of indistinguishability of the colliding atoms, is used. The model associates the incomplete shielding with a process involving two crossing points. The theory is applied to the case of metastable xenon traps, obtaining a fair agreement with the experimental data. {copyright} {ital 1997} {ital The American Physical Society}

  13. Nonparametric Bayesian Dictionary Learning for Analysis of Noisy and Incomplete Images

    PubMed Central

    Zhou, Mingyuan; Chen, Haojun; Paisley, John; Ren, Lu; Li, Lingbo; Xing, Zhengming; Dunson, David; Sapiro, Guillermo; Carin, Lawrence

    2013-01-01

    Nonparametric Bayesian methods are considered for recovery of imagery based upon compressive, incomplete, and/or noisy measurements. A truncated beta-Bernoulli process is employed to infer an appropriate dictionary for the data under test and also for image recovery. In the context of compressive sensing, significant improvements in image recovery are manifested using learned dictionaries, relative to using standard orthonormal image expansions. The compressive-measurement projections are also optimized for the learned dictionary. Additionally, we consider simpler (incomplete) measurements, defined by measuring a subset of image pixels, uniformly selected at random. Spatial interrelationships within imagery are exploited through use of the Dirichlet and probit stick-breaking processes. Several example results are presented, with comparisons to other methods in the literature. PMID:21693421

  14. Issues in Designing Tutors for Games of Incomplete Information: a Bridge Case Study

    NASA Astrophysics Data System (ADS)

    Kemp, Ray; McKenzie, Ben; Kemp, Elizabeth

    There are a number of commercial packages for playing the game of bridge, and even more papers on possible techniques for improving the quality of such systems. We examine some of the AI techniques that have proved successful for implementing bridge playing systems and discuss how they might be adapted for teaching the game. We pay particular attention to the issue of incomplete information and include some of our own research into the subject.

  15. Incomplete endothelialisation of an Amplatzer Septal Occluder device followed by meningitis and late acute bacterial endocarditis.

    PubMed

    Białkowski, Jacek; Pawlak, Szymon; Banaszak, Paweł

    2016-04-01

    A 19-year-old woman with atrial septal defect treated percutaneously with an Amplatzer Septal Occluder 24 months earlier, who presented with a history of bacterial meningitis, was admitted with a diagnosis of endocarditis. After 6 weeks of treatment with antibiotics, the incompletely endothelialised occluder was surgically removed. The present report illustrates the need for long-term follow-up of patients who have received nitinol wire mesh occluders. PMID:26707128

  16. Phanerozoic marine biodiversity dynamics in light of the incompleteness of the fossil record

    PubMed Central

    Lu, Peter J.; Yogo, Motohiro; Marshall, Charles R.

    2006-01-01

    Long-term evolutionary dynamics have been approached through quantitative analysis of the fossil record, but without explicitly taking its incompleteness into account. Here we explore the temporal covariance structure of per-genus origination and extinction rates for global marine fossil genera throughout the Phanerozoic, both before and after corrections for the incompleteness of the fossil record. Using uncorrected data based on Sepkoski’s compendium, we find significant autocovariance within origination and extinction rates, as well as covariance between extinction and origination, not one, but two, intervals later, corroborating evidence for the unexplained temporal gap found by past studies. However, these effects vanish when the data are corrected for the incompleteness of the fossil record. Instead, we observe significant covariance only between extinction and origination in the immediately following intervals. The gap in the response of the biosphere to extinction in the uncorrected fossil record thus appears to be an artifact of the incompleteness of the fossil record, specifically due to episodic variation in the probability that taxa will be preserved, on time scales comparable to the temporal resolution of Sepkoski’s data. Our results also indicate that at that temporal resolution (the stage/substage of duration ≈5 million years), changes in origination and extinction do not persist for longer than one interval, except that elevated origination rates immediately after extinction may last for more than a single interval. Thus, although certain individual cases may deviate from the overall pattern, we find that in general the biosphere’s response to perturbation is immediate geologically and usually short-lived. PMID:16477008

  17. Phanerozoic marine biodiversity dynamics in light of the incompleteness of the fossil record.

    PubMed

    Lu, Peter J; Yogo, Motohiro; Marshall, Charles R

    2006-02-21

    Long-term evolutionary dynamics have been approached through quantitative analysis of the fossil record, but without explicitly taking its incompleteness into account. Here we explore the temporal covariance structure of per-genus origination and extinction rates for global marine fossil genera throughout the Phanerozoic, both before and after corrections for the incompleteness of the fossil record. Using uncorrected data based on Sepkoski's compendium, we find significant autocovariance within origination and extinction rates, as well as covariance between extinction and origination, not one, but two, intervals later, corroborating evidence for the unexplained temporal gap found by past studies. However, these effects vanish when the data are corrected for the incompleteness of the fossil record. Instead, we observe significant covariance only between extinction and origination in the immediately following intervals. The gap in the response of the biosphere to extinction in the uncorrected fossil record thus appears to be an artifact of the incompleteness of the fossil record, specifically due to episodic variation in the probability that taxa will be preserved, on time scales comparable to the temporal resolution of Sepkoski's data. Our results also indicate that at that temporal resolution (the stage/substage of duration approximately = 5 million years), changes in origination and extinction do not persist for longer than one interval, except that elevated origination rates immediately after extinction may last for more than a single interval. Thus, although certain individual cases may deviate from the overall pattern, we find that in general the biosphere's response to perturbation is immediate geologically and usually short-lived. PMID:16477008

  18. Trauma History and Depression Predict Incomplete Adherence to Antiretroviral Therapies in a Low Income Country

    PubMed Central

    Whetten, Kathryn; Shirey, Kristen; Pence, Brian Wells; Yao, Jia; Thielman, Nathan; Whetten, Rachel; Adams, Julie; Agala, Bernard; Ostermann, Jan; O'Donnell, Karen; Hobbie, Amy; Maro, Venance; Itemba, Dafrosa; Reddy, Elizabeth

    2013-01-01

    Background As antiretroviral therapy (ART) for HIV becomes increasingly available in low and middle income countries (LMICs), understanding reasons for lack of adherence is critical to stemming the tide of infections and improving health. Understanding the effect of psychosocial experiences and mental health symptomatology on ART adherence can help maximize the benefit of expanded ART programs by indicating types of services, which could be offered in combination with HIV care. Methodology The Coping with HIV/AIDS in Tanzania (CHAT) study is a longitudinal cohort study in the Kilimanjaro Region that included randomly selected HIV-infected (HIV+) participants from two local hospital-based HIV clinics and four free-standing voluntary HIV counselling and testing sites. Baseline data were collected in 2008 and 2009; this paper used data from 36 month follow-up interviews (N = 468). Regression analyses were used to predict factors associated with incomplete self-reported adherence to ART. Results Incomplete ART adherence was significantly more likely to be reported amongst participants who experienced a greater number of childhood traumatic events: sexual abuse prior to puberty and the death in childhood of an immediate family member not from suicide or homicide were significantly more likely in the non-adherent group and other negative childhood events trended toward being more likely. Those with incomplete adherence had higher depressive symptom severity and post-traumatic stress disorder (PTSD). In multivariable analyses, childhood trauma, depression, and financial sacrifice remained associated with incomplete adherence. Discussion This is the first study to examine the effect of childhood trauma, depression and PTSD on HIV medication adherence in a low income country facing a significant burden of HIV. Allocating spending on HIV/AIDS toward integrating mental health services with HIV care is essential to the creation of systems that enhance medication adherence

  19. Negative ions of polyatomic molecules.

    PubMed Central

    Christophorou, L G

    1980-01-01

    In this paper general concepts relating to, and recent advances in, the study of negative ions of polyatomic molecules area discussed with emphasis on halocarbons. The topics dealt with in the paper are as follows: basic electron attachment processes, modes of electron capture by molecules, short-lived transient negative ions, dissociative electron attachment to ground-state molecules and to "hot" molecules (effects of temperature on electron attachment), parent negative ions, effect of density, nature, and state of the medium on electron attachment, electron attachment to electronically excited molecules, the binding of attached electrons to molecules ("electron affinity"), and the basic and the applied significance of negative-ion studies. PMID:7428744

  20. Handling incomplete correlated continuous and binary outcomes in meta-analysis of individual participant data.

    PubMed

    Gomes, Manuel; Hatfield, Laura; Normand, Sharon-Lise

    2016-09-20

    Meta-analysis of individual participant data (IPD) is increasingly utilised to improve the estimation of treatment effects, particularly among different participant subgroups. An important concern in IPD meta-analysis relates to partially or completely missing outcomes for some studies, a problem exacerbated when interest is on multiple discrete and continuous outcomes. When leveraging information from incomplete correlated outcomes across studies, the fully observed outcomes may provide important information about the incompleteness of the other outcomes. In this paper, we compare two models for handling incomplete continuous and binary outcomes in IPD meta-analysis: a joint hierarchical model and a sequence of full conditional mixed models. We illustrate how these approaches incorporate the correlation across the multiple outcomes and the between-study heterogeneity when addressing the missing data. Simulations characterise the performance of the methods across a range of scenarios which differ according to the proportion and type of missingness, strength of correlation between outcomes and the number of studies. The joint model provided confidence interval coverage consistently closer to nominal levels and lower mean squared error compared with the fully conditional approach across the scenarios considered. Methods are illustrated in a meta-analysis of randomised controlled trials comparing the effectiveness of implantable cardioverter-defibrillator devices alone to implantable cardioverter-defibrillator combined with cardiac resynchronisation therapy for treating patients with chronic heart failure. © 2016 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd. PMID:27090498

  1. Fault diagnosis strategy for incompletely described samples and its application to refrigeration system

    NASA Astrophysics Data System (ADS)

    Ren, Neng; Liang, Jun; Gu, Bo; Han, Hua

    2008-02-01

    Fault diagnosis (FD) plays a very important role in the operation and maintenance of mechanical system and equipment. Existing FD methods are not capable of effectively dealing with incompletely described samples. In this paper, a strategy for FD using the incompletely described samples is presented. It is actualized in two steps, namely the determination of the values of unknown features which is the key step of the presented FD strategy, and the utilization of the regenerated completely described samples to diagnose the system based on support vector machine (SVM) classifiers. And the first step is mainly implemented by the following three sub-steps: (1) with the help of domain knowledge, the similarity transformation matrix of partial problem description (PPD)—problems with incomplete feature description—is generated based on the historical database; (2) the unknown features of the samples are transformed to related known features, through which generates a new retrieval feature vector; (3) the values of unknown features are assigned by the optimal cases which can be retrieved by measuring and comparing similarities between the retrieval feature vector and the completely described samples in the historical database. Finally, the presented FD strategy was applied to a real refrigeration system, and achieved satisfying results.

  2. The influence of incomplete or unavailable information on environmental impact assessment in the USA

    SciTech Connect

    Atkinson, Samuel F. . E-mail: atkinson@unt.edu; Canter, Larry W. . E-mail: envimptr@aol.com; Ravan, Melanie D. . E-mail: melanie.raven@navy.mil

    2006-07-15

    One of the more common activities of environmental scientists in the United States is the preparation of environmental assessments or environmental impact statements in response to the mandates of the National Environmental Policy Act. The central thesis of this paper revolves around a frequent dilemma those scientists face: how to proceed with the environmental impact analysis when information on potential impacts is incomplete or unavailable. The paper examines how the 'hard look' standard that U.S. courts have imposed upon agencies considering proposed actions came about. Further, U.S. courts have said agencies cannot make arbitrary and capricious decisions when deciding to build a project, implement a plan, issue a permit or other give other approvals, and this paper discusses how the courts have defined what arbitrary and capricious decision are, especially when decisions are made when information about impacts is incomplete or unavailable. The paper examines why agencies win or lose lawsuits filed against the environmental assessments or environmental impact statements they write, focusing on those cases that have occurred after the Supreme Court ruled on the issue in 1989. The paper suggests recommendations to environmental scientists faced with incomplete or unavailable information when preparing an environmental assessment or environmental impact statement in the U.S.

  3. Elements of the theory of molecular spectra. [multiatomic molecules

    NASA Technical Reports Server (NTRS)

    Gribov, L. A.

    1979-01-01

    The basic aspects of the theory concerning the spectra of multiatomic molecules are presented. The classification of the forms of motions in a molecule, the methods for determining the corresponding Schroudinger levels, the spectral types and the selection rules are discussed in order to identify their presence and state in outer space.

  4. Computer Modelling of Biological Molecules: Free Resources on the Internet.

    ERIC Educational Resources Information Center

    Millar, Neil

    1996-01-01

    Describes a three-dimensional computer modeling system for biological molecules which is suitable for sixth-form teaching. Consists of the modeling program "RasMol" together with structure files of proteins, DNA, and small biological molecules. Describes how the whole system can be downloaded from various sites on the Internet. (Author/JRH)

  5. Watching single molecules dance

    NASA Astrophysics Data System (ADS)

    Mehta, Amit Dinesh

    Molecular motors convert chemical energy, from ATP hydrolysis or ion flow, into mechanical motion. A variety of increasingly precise mechanical probes have been developed to monitor and perturb these motors at the single molecule level. Several outstanding questions can be best approached at the single molecule level. These include: how far does a motor progress per energy quanta consumed? how does its reaction cycle respond to load? how many productive catalytic cycles can it undergo per diffusional encounter with its track? and what is the mechanical stiffness of a single molecule connection? A dual beam optical trap, in conjunction with in vitro ensemble motility assays, has been used to characterize two members of the myosin superfamily: muscle myosin II and chick brain myosin V. Both move the helical polymer actin, but myosin II acts in large ensembles to drive muscle contraction or cytokinesis, while myosin V acts in small numbers to transport vesicles. An optical trapping apparatus was rendered sufficiently precise to identify a myosin working stroke with 1nm or so, barring systematic errors such as those perhaps due to random protein orientations. This and other light microscopic motility assays were used to characterize myosin V: unlike myosin II this vesicle transport protein moves through many increments of travel while remaining strongly bound to a single actin filament. The step size, stall force, and travel distance of myosin V reveal a remarkably efficient motor capable of moving along a helical track for over a micrometer without significantly spiraling around it. Such properties are fully consistent with the putative role of an organelle transport motor, present in small numbers to maintain movement over long ranges relative to cellular size scales. The contrast between myosin II and myosin V resembles that between a human running on the moon and one walking on earth, where the former allows for faster motion when in larger ensembles but for less

  6. Leucocyte cellular adhesion molecules.

    PubMed

    Yong, K; Khwaja, A

    1990-12-01

    Leucocytes express adhesion promoting receptors which mediate cell-cell and cell-matrix interactions. These adhesive interactions are crucial to the regulation of haemopoiesis and thymocyte maturation, the direction and control of leucocyte traffic and migration through tissues, and in the development of immune and non-immune inflammatory responses. Several families of adhesion receptors have been identified (Table). The leucocyte integrin family comprises 3 alpha beta heterodimeric membrane glycoproteins which share a common beta subunit, designated CD18. The alpha subunits of each of the 3 members, lymphocyte function associated antigen-1 (LFA-1), macrophage antigen-1 (Mac-1) and p150,95 are designated CD11a, b and c respectively. These adhesion molecules play a critical part in the immune and inflammatory responses of leucocytes. The leucocyte integrin family is, in turn, part of the integrin superfamily, members of which are evolutionally, structurally and functionally related. Another Integrin subfamily found on leucocytes is the VLA group, so-called because the 'very late activation antigens' VLA-1 and VLA-2 were originally found to appear late in T-cell activation. Members of this family function mainly as extracellular matrix adhesion receptors and are found both on haemopoietic and non-haemopoietic cells. They play a part in diverse cellular functions including tissue organisation, lymphocyte recirculation and T-cell immune responses. A third integrin subfamily, the cytoadhesins, are receptors on platelets and endothelial cells which bind extracellular matrix proteins. A second family of adhesion receptors is the immunoglobulin superfamily, members of which include CD2, LFA-3 and ICAM-1, which participate in T-cell adhesive interactions, and the antigen-specific receptors of T and B cells, CD4, CD8 and the MHC Class I and II molecules. A recently recognised family of adhesion receptors is the selectins, characterised by a common lectin domain. Leucocyte

  7. Single Molecule Transcription Elongation

    PubMed Central

    Galburt, Eric A.; Grill, Stephan W.; Bustamante, Carlos

    2009-01-01

    Single molecule optical trapping assays have now been applied to a great number of macromolecular systems including DNA, RNA, cargo motors, restriction enzymes, DNA helicases, chromosome remodelers, DNA polymerases and both viral and bacterial RNA polymerases. The advantages of the technique are the ability to observe dynamic, unsynchronized molecular processes, to determine the distributions of experimental quantities and to apply force to the system while monitoring the response over time. Here, we describe the application of these powerful techniques to study the dynamics of transcription elongation by RNA polymerase II from Saccharomyces cerevisiae. PMID:19426807

  8. Stochastic models for surface diffusion of molecules

    SciTech Connect

    Shea, Patrick Kreuzer, Hans Jürgen

    2014-07-28

    We derive a stochastic model for the surface diffusion of molecules, starting from the classical equations of motion for an N-atom molecule on a surface. The equation of motion becomes a generalized Langevin equation for the center of mass of the molecule, with a non-Markovian friction kernel. In the Markov approximation, a standard Langevin equation is recovered, and the effect of the molecular vibrations on the diffusion is seen to lead to an increase in the friction for center of mass motion. This effective friction has a simple form that depends on the curvature of the lowest energy diffusion path in the 3N-dimensional coordinate space. We also find that so long as the intramolecular forces are sufficiently strong, memory effects are usually not significant and the Markov approximation can be employed, resulting in a simple one-dimensional model that can account for the effect of the dynamics of the molecular vibrations on the diffusive motion.

  9. Adhesion Molecules: Master Controllers of the Circulatory System.

    PubMed

    Schmidt, Eric P; Kuebler, Wolfgang M; Lee, Warren L; Downey, Gregory P

    2016-01-01

    This manuscript will review our current understanding of cellular adhesion molecules (CAMs) relevant to the circulatory system, their physiological role in control of vascular homeostasis, innate and adaptive immune responses, and their importance in pathophysiological (disease) processes such as acute lung injury, atherosclerosis, and pulmonary hypertension. This is a complex and rapidly changing area of research that is incompletely understood. By design, we will begin with a brief overview of the structure and classification of the major groups of adhesion molecules and their physiological functions including cellular adhesion and signaling. The role of specific CAMs in the process of platelet aggregation and hemostasis and leukocyte adhesion and transendothelial migration will be reviewed as examples of the complex and cooperative interplay between CAMs during physiological and pathophysiological processes. The role of the endothelial glycocalyx and the glycobiology of this complex system related to inflammatory states such as sepsis will be reviewed. We will then focus on the role of adhesion molecules in the pathogenesis of specific disease processes involving the lungs and cardiovascular system. The potential of targeting adhesion molecules in the treatment of immune and inflammatory diseases will be highlighted in the relevant sections throughout the manuscript. © 2016 American Physiological Society. Compr Physiol 6:945-973, 2016. PMID:27065171

  10. Sticking of Molecules on Nonporous Amorphous Water Ice

    NASA Astrophysics Data System (ADS)

    He, Jiao; Acharyya, Kinsuk; Vidali, Gianfranco

    2016-05-01

    Accurate modeling of physical and chemical processes in the interstellar medium (ISM) requires detailed knowledge of how atoms and molecules adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first step in the interaction of a particle with a surface, is usually assumed in simulations of ISM environments to be either 0.5 or 1. Here we report on the determination of the sticking coefficient of H2, D2, N2, O2, CO, CH4, and CO2 on nonporous amorphous solid water. The sticking coefficient was measured over a wide range of surface temperatures using a highly collimated molecular beam. We showed that the standard way of measuring the sticking coefficient—the King–Wells method—leads to the underestimation of trapping events in which there is incomplete energy accommodation of the molecule on the surface. Surface scattering experiments with the use of a pulsed molecular beam are used instead to measure the sticking coefficient. Based on the values of the measured sticking coefficient, we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy. We use this formula in a simulation of ISM gas–grain chemistry to find the effect of sticking on the abundance of key molecules both on grains and in the gas phase.

  11. Factors associated with incomplete gastric endoscopic submucosal dissection due to misdiagnosis

    PubMed Central

    Suzuki, Haruhisa; Oda, Ichiro; Sekiguchi, Masau; Abe, Seiichiro; Nonaka, Satoru; Yoshinaga, Shigetaka; Saito, Yutaka

    2016-01-01

    Background and study aims: Endoscopic submucosal dissection (ESD) is widely accepted for treating early gastric cancer (EGC); however, there can be cases of incomplete resection due to not only technical problems, but also misdiagnosis. Our aim was to identify factors associated with incomplete gastric ESD due to misdiagnosis. Patients and methods: A total of 2,268 patients with solitary EGCs at initial onset underwent ESD with curative intent at our hospital from 1999 to 2008. We retrospectively assessed the clinicopathological factors by comparing the two groups of incomplete ESD cases due to misdiagnosis (cases with a positive lateral margins [LM] [Group A] or those with a positive vertical margins [VM] [Group B]) with complete ESD cases using multivariable analysis. Results: Complete ESD was achieved in 2,097 patients. The 171 patients with incomplete ESDs were divided into 109 with a positive LM and 80 with a positive VM (overlapped). Except 49 cases with a positive LM due to technical problems, a positive LM due to misdiagnosis was identified in 60 cases (Group A). Excluding 32 cases with a positive VM due to technical problems, a positive VM due to misdiagnosis was found in 48 cases (Group B). Significant independent factors (odds ratios [OR]; 95 % confidence intervals [CI]) for each group were as follows: Group A: size > 20 mm (5.4; 3.0 – 9.9), undifferentiated-type (4.1; 1.8 – 9.0), submucosal invasion (2.0; 1.1 – 3.4) and location of upper/middle (1.9; 1.0 – 3.6); Group B: size > 20 mm (3.0; 1.6 – 5.5), undifferentiated-type (3.0; 1.1 – 8.0) and location of upper/middle (2.4; 1.2 – 4.8). Conclusions: Endoscopists must be aware of these factors associated with incomplete gastric ESD due to misdiagnosis to further decrease their incidence. PMID:27556097

  12. Covalent Chemistry beyond Molecules.

    PubMed

    Jiang, Juncong; Zhao, Yingbo; Yaghi, Omar M

    2016-03-16

    Linking molecular building units by covalent bonds to make crystalline extended structures has given rise to metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), thus bringing the precision and versatility of covalent chemistry beyond discrete molecules to extended structures. The key advance in this regard has been the development of strategies to overcome the "crystallization problem", which is usually encountered when attempting to link molecular building units into covalent solids. Currently, numerous MOFs and COFs are made as crystalline materials in which the large size of the constituent units provides for open frameworks. The molecular units thus reticulated become part of a new environment where they have (a) lower degrees of freedom because they are fixed into position within the framework; (b) well-defined spatial arrangements where their properties are influenced by the intricacies of the pores; and (c) ordered patterns onto which functional groups can be covalently attached to produce chemical complexity. The notion of covalent chemistry beyond molecules is further strengthened by the fact that covalent reactions can be carried out on such frameworks, with full retention of their crystallinity and porosity. MOFs are exemplars of how this chemistry has led to porosity with designed metrics and functionality, chemically-rich sequences of information within their frameworks, and well-defined mesoscopic constructs in which nanoMOFs enclose inorganic nanocrystals and give them new levels of spatial definition, stability, and functionality. PMID:26863450

  13. Single Molecule Conductance of Oligothiophene Derivatives

    NASA Astrophysics Data System (ADS)

    Dell, Emma J.

    This thesis studies the electronic properties of small organic molecules based on the thiophene motif. If we are to build next-generation devices, advanced materials must be designed which possess requisite electronic functionality. Molecules present attractive candidates for these ad- vanced materials since nanoscale devices are particularly sought after. However, selecting a molecule that is suited to a certain electronic function remains a challenge, and characterization of electronic behavior is therefore critical. Single molecule conductance measurements are a powerful tool to determine properties on the nanoscale and, as such, can be used to investigate novel building blocks that may fulfill the design requirements of next-generation devices. Combining these conductance results with strategic chemical synthesis allows for the development of new families of molecules that show attractive properties for future electronic devices. Since thiophene rings are the fruitflies of organic semiconductors on the bulk scale, they present an intriguing starting point for building functional materials on the nanoscale, and therefore form the structural basis of all molecules studied herein. First, the single-molecule conductance of a family of bithiophene derivatives was measured. A broad distribution in the single-molecule conductance of bithiophene was found compared with that of a biphenyl. This increased breadth in the conductance distribution was shown to be explained by the difference in 5-fold symmetry of thiophene rings as compared to the 6-fold symmetry of benzene rings. The reduced symmetry of thiophene rings results in a restriction on the torsion angle space available to these molecules when bound between two metal electrodes in a junction, causing each molecular junction to sample a different set of conformers in the conductance measurements. By contrast, the rotations of biphenyl are essentially unimpeded by junction binding, allowing each molecular junction

  14. Small diatomic alkali molecules at ultracold temperatures

    NASA Astrophysics Data System (ADS)

    Wang, Tout Taotao

    This thesis describes experimental work done with two of the smallest diatomic alkali molecules, 6Li2 and 23Na 6Li, each formed out of its constituent atoms at ultracold temperatures. The 23Na6Li molecule was formed for the first time at ultracold temperatures, after previous attempts failed due to an incorrect assignment of Feshbach resonances in the 6Li+23Na system. The experiment represents successful molecule formation around the most difficult Feshbach resonance ever used, and opens up the possibility of transferring NaLi to its spin-triplet ground state, which has both magnetic and electric dipole moments and is expected to be long-lived. For 6Li2, the experimental efforts in this thesis have solved a long-standing puzzle of apparently long lifetimes of closed-channel fermion pairs around a narrow Feshbach resonance, finding that the lifetime is in fact short, as expected in the absence of Pauli suppression of collisions. Moreover, measurements of collisions of Li2 with free Li atoms demonstrates a striking first example of collisions involving molecules at ultracold temperatures described by physics beyond universal long-range van der Waals interactions.

  15. Ion Pairs or Neutral Molecule Adducts? Cooperativity in Hydrogen Bonding

    ERIC Educational Resources Information Center

    DeKock, Roger L.; Schipper, Laura A.; Dykhouse, Stephanie C.; Heeringa, Lee P.; Brandsen, Benjamin M.

    2009-01-01

    We performed theoretical studies on the systems NH[subscript 3] times HF times mH[subscript 2]O, NH[subscript 3] times HCl times mH[subscript 2]O, with m = 0, 1, 2, and 6. The molecules with m = 0 form hydrogen-bonded adducts with little tendency to form an ion-pair structure. The molecule NH[subscript 3] times HCl times H[subscript 2]O cannot be…

  16. Spin transport in molecules studied by Fe3O4/molecule nanoparticles

    NASA Astrophysics Data System (ADS)

    Yue, F. J.; Wang, S.; Wu, D.

    2013-05-01

    In this work, we synthesize single molecular layer coated Fe3O4 nanoparticles to form the network of the molecular junction spin valves. The Fe3O4 nanoparticles chemically bond with molecules without any physically absorbed molecules, leading to one monolayer molecule coated on nanoparticles. The magnetoresistance (MR) of cold-pressed Fe3O4/oleic acid nanoparticles is more than two times larger than bare Fe3O4 nanoparticles, indicating weaker spin scattering in molecules. Furthermore, the MR ratio is as high as ˜21 % at room temperature for Fe3O4/alkane molecule nanoparticles. Interestingly, even though the resistance spans about two decades as the alkane molecular length varies from 0.7 to 2.5 nm, the MR ratio stays approximately constant. This molecular length independent spin valve MR, originated from the weaker hyperfine interaction strength of the σ-electrons in alkane molecules, entails room-temperature spin-conserving transport in molecular materials. Using the size of ˜500 nm Fe3O4 nanoparticles, a large MR is achieved in a relatively low magnetic field. This feature opens a door for the development of future spin-based molecular electronics. Moreover, spin injection at the interface of Fe3O4/stearic acid molecule is investigated in a comparative study between Fe3O4 nanoparticles chemically bonded (ChemNPs) and physically absorbed (PhyNPs) molecules. A MR of 12 % at room temperature is observed in ChemNPs, in sharp contrast to the zero MR ratio in PhyNPs, reflecting that the chemical bonding is crucial for spin injection. These results show that the hybrid nanoparticles provide a simple approach to study the spin transport in molecules.

  17. Reaction mechanism in the {sup 20}Ne+{sup 59}Co system at 3-7 MeV/nucleon, and observation of entrance-channel mass-asymmetry of the incomplete fusion fraction

    SciTech Connect

    Singh, D.; Ali, R.; Afzal Ansari, M.; Tomar, B. S.; Rashid, M. H.; Guin, R.; Das, S. K.

    2011-05-15

    Incomplete fusion of {sup 20}Ne with {sup 59}Co has been investigated at 3-7 MeV/nucleon using the measurement and analysis of excitation functions. The recoil-catcher technique followed by offline gamma-ray spectroscopy has been employed. Evaporation residues are found to have contributions from precursor decays, which have been separated out from the measured cumulative cross sections of evaporation residues. Measured independent cross sections are compared with PACE-2 predictions. The PACE-2 calculations are carried out for evaporation residues formed in complete fusion (CF), and the parameters are optimized so as to reproduce the cross section of evaporation residues produced exclusively in CF, e.g., xn and pxn products. With these parameters, the predicted CF cross sections for alpha emission products are calculated. Any substantial enhancement in the experimental cross section over the PACE-2 prediction is taken as a signature of incomplete fusion (ICF). The analysis indicates the occurrence of incomplete fusion involving the breakup of {sup 20}Ne into {sup 16}O + {sup 4}He and/or {sup 12}C + {sup 8}Be(2{alpha}) followed by fusion of one of the fragments with the target nucleus {sup 59}Co. These data also suggest that the probability of incomplete fusion increases with the projectile energy. Moreover, the ICF probability is found to increase with entrance-channel mass-asymmetry of the projectile-target systems.

  18. Emerging small molecule drugs.

    PubMed

    Colin, Sophie; Chinetti-Gbaguidi, Giulia; Kuivenhoven, Jan A; Staels, Bart

    2015-01-01

    Dyslipidaemia is a major risk factor for cardiovascular diseases. Pharmacological lowering of LDL-C levels using statins reduces cardiovascular risk. However, a substantial residual risk persists especially in patients with type 2 diabetes mellitus. Because of the inverse association observed in epidemiological studies of HDL-C with the risk for cardiovascular diseases, novel therapeutic strategies to raise HDL-C levels or improve HDL functionality are developed as complementary therapy for cardiovascular diseases. However, until now most therapies targeting HDL-C levels failed in clinical trials because of side effects or absence of clinical benefits. This chapter will highlight the emerging small molecules currently developed and tested in clinical trials to pharmacologically modulate HDL-C and functionality including new CETP inhibitors (anacetrapib, evacetrapib), novel PPAR agonists (K-877, CER-002, DSP-8658, INT131 and GFT505), LXR agonists (ATI-111, LXR-623, XL-652) and RVX-208. PMID:25523004

  19. Biochips - Can molecules compute?

    NASA Astrophysics Data System (ADS)

    Tucker, J. B.

    1984-02-01

    In recent years the possibility has been considered to build 'biochip' computers, in which the silicon transistors of present machines would be replaced by large organic molecules or genetically engineered proteins. Two major advantages of such biochips over current devices would be related to vastly increased densities of computing elements, and entirely new styles of data processing, suited to such high-level tasks as pattern recognition and context-dependent analysis. The limitations of the semiconductor chip with respect to the density of elementary units due to size considerations and heat development could be overcome by making use of molecular switches. Attention is given to soliton switching, soliton logic, bulk molecular devices, analog biochips, 'intelligent' switches based on the employment of enzymes, robot vision, questions of biochip fabrication, protein engineering, and a strategy for the development of biochips.

  20. Forces in molecules.

    PubMed

    Hernández-Trujillo, Jesús; Cortés-Guzmán, Fernando; Fang, De-Chai; Bader, Richard F W

    2007-01-01

    Chemistry is determined by the electrostatic forces acting within a collection of nuclei and electrons. The attraction of the nuclei for the electrons is the only attractive force in a molecule and is the force responsible for the bonding between atoms. This is the attractive force acting on the electrons in the Ehrenfest force and on the nuclei in the Feynman force, one that is countered by the repulsion between the electrons in the former and by the repulsion between the nuclei in the latter. The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by the presence of a bond path, has a common origin in terms of the mechanics determined by the Ehrenfest, Feynman and virial theorems. This paper is concerned in particular with the mechanics of interaction encountered in what are classically described as 'nonbonded interactions'--are atoms that 'touch' bonded or repelling one another? PMID:17328425