Science.gov

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

    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

  3. 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

  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. 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

  8. 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

  9. 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.

  10. 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.

  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. 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.

  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. 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.

  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. 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.

  3. 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

  4. 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

  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, 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...

  4. 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...

  5. 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...

  6. 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...

  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. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  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. 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...

  18. 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…

  19. 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…

  20. 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…

  1. 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)

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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

  8. 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

  9. 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...

  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. 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

  18. 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

  19. 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

  20. 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

  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. 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.

  3. 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...

  4. 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...

  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. 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.

  10. 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)

  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. 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.

  15. 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

  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. 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

  20. 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.

  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. 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.

  6. 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.

  7. 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.

  8. 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...

  9. 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

  10. 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…

  11. 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…

  12. 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.…

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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.

  7. 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…

  8. 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

  9. 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...

  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 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.

  12. 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.

  13. 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.

  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. 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

  2. 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.

  3. 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).

  4. 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

  5. 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

  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. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  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. 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.

  10. 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.