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Sample records for structure utilizing 8-hydroxyquinoline

  1. Synthesis, structure, and spectral and electrochemical properties of chromium(III) tris-(8-hydroxyquinolinate).

    PubMed

    Freitas, Ana R; Silva, Mónica; Ramos, M Luísa; Justino, Licínia L G; Fonseca, Sofia M; Barsan, Madalina M; Brett, Christopher M A; Silva, M Ramos; Burrows, Hugh D

    2015-07-01

    The kinetically inert chromium(III) tris-(8-hydroxyquinolinate), Crq3, has been synthesized, crystallized from 90% methanol-water, and characterized by MALDI-TOF mass spectrometry, thermogravimetry, FTIR, NMR spectroscopy, and X-ray powder diffraction. It is formed as a methanol solvate, but the solvent can be removed by heating. Large paramagnetic shifts and spectral broadening in (1)H NMR spectra indicate electron delocalization between the metal and the ligand. DFT calculations show it is present as the meridional isomer, with the HOMO largely based on one of the metal 3d orbitals and the LUMO essentially localized on the ligands. Cyclic voltammetry (CV) in acetonitrile solutions shows four oxidation peaks and two, less intense reduction waves on the first scan. The HOMO energy determined from the first oxidation peak is fairly close to that obtained by DFT, in agreement with this being mainly metal based. Although the number of peaks decreases on subsequent CV scans, the complex shows markedly enhanced electrochemical stability compared with aluminium(III) tris-(8-hydroxyquinolinate). Solution UV/visible absorption and solid diffuse reflectance spectra have a weak, long wavelength band, assigned to the metal based d-d transition, in addition to the normal, ligand based bands seen in metal quinolates. The energy of the lowest energy band is identical to the HOMO-LUMO separation obtained by cyclic voltammetry, in agreement with the above description. The compound is only weakly luminescent, in contrast to many other metal quinolates, due to the lowest energy transition being metal rather than ligand based. The potential of this compound as an electron transporting/hole blocking layer in optoelectronic devices is indicated. PMID:26030802

  2. Structural and vibrational study of 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone - A potential metal-protein attenuating compound (MPAC) for the treatment of Alzheimer's disease

    NASA Astrophysics Data System (ADS)

    de Freitas, Leonardo Viana; da Silva, Cecilia C. P.; Ellena, Javier; Costa, Luiz Antnio Sodr; Rey, Nicols A.

    2013-12-01

    A comprehensive structural and vibrational study of the potential metal-protein attenuating compound 8-hydroxyquinoline-2-carboxaldehyde isonicotinoyl hydrazone is reported. X-ray diffraction data, as well as FT-IR and Raman frequencies, were compared with the respective theoretical values obtained from DFT calculations. Theory agrees well with experiment. In this context, an attempt of total assignment concerning the FT-IR and Raman spectra of the title compound was performed, shedding new light on previous partial assignments published elsewhere.

  3. A novel trimeric Zn (II) complex based on 8-hydroxyquinoline with trifluoromethylbenzene group: Synthesis, crystal structure, photophysical properties and DNA binding

    NASA Astrophysics Data System (ADS)

    Huo, Yanping; Wang, Chunquan; Lu, Jiguo; Hu, Sheng; Li, Xiaoyang; Zhang, Li

    2015-10-01

    A novel 2-substituted-8-hydroxyquinoline ligand (E)-2-[2-(4-trifluoromethylphenyl)ethenyl]-8-hydroxyquinoline (3, HL) was synthesized and characterized by ESI-MS, NMR spectroscopy and elemental analysis. Using solvothermal method, a trimeric complex [Zn3L6] (4) was fabricated by self-assembly of Zn(II) ions with 3. X-ray structural analysis shows that 4 exhibits a trinuclear core, which was bridged and encapsulated by six 8-hydroxyquinolinate-based ligands. The supramolecular structure of 4 features a lamellar solid constructed by aromatic stacking interactions and nonclassical C-H···F hydrogen bonds derived from 4-trifluoromethylphenyl group of the 3. The coordination behavior of zinc salt and 3 in solution was performed by 1H NMR, UV-vis and Photoluminescence (PL). The experimental results show that the complex 4 emits yellow luminescence in the solid state. To investigate its properties further, we also studied the thermal stability, photophysical properties (fluorescent emission, lifetime) of complex 4, and the interactions between 4 and C60 or EtBr-DNA system.

  4. Investigation on growth, structure and characterization of succinate salt of 8-hydroxyquinoline: an organic NLO crystal.

    PubMed

    Thirumurugan, R; Babu, B; Anitha, K; Chandrasekaran, J

    2015-04-01

    8-Hydroxyquinolinium succinate (8-HQSU) has been synthesized and single crystals were grown from ethanol solvent by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated by single crystal X-ray diffraction analysis. It reveals that 8-HQSU crystallizes in monoclinic system with non-centro symmetric space group P2(1). FTIR, 1H and 13C NMR spectral investigations have been carried out to identify the vibrational modes of various functional groups and placement of proton and carbon in the 8-HQSU compound, respectively. UV-vis-NIR transmission spectrum shows the cutoff wavelength around 357 nm. In addition, a photoluminescence spectral analysis was carried out for 8-HQSU crystals. The thermal properties of crystals were evaluated from TGA and DTA techniques and the crystal was found to be stable up to 145C. The dielectric studies show that the dielectric constant and dielectric loss decrease exponentially with frequency at different temperatures. Photoconductivity studies were carried out on the grown crystals it reveals the positive photo conducting nature. Powder second harmonic generation property of the crystal was confirmed by Kurtz and Perry powder SHG technique and it is found to be 1.3 times greater than that of KDP. PMID:25589396

  5. Investigation on growth, structure and characterization of succinate salt of 8-hydroxyquinoline: An organic NLO crystal

    NASA Astrophysics Data System (ADS)

    Thirumurugan, R.; Babu, B.; Anitha, K.; Chandrasekaran, J.

    2015-04-01

    8-Hydroxyquinolinium succinate (8-HQSU) has been synthesized and single crystals were grown from ethanol solvent by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated by single crystal X-ray diffraction analysis. It reveals that 8-HQSU crystallizes in monoclinic system with non-centro symmetric space group P21. FTIR, 1H and 13C NMR spectral investigations have been carried out to identify the vibrational modes of various functional groups and placement of proton and carbon in the 8-HQSU compound, respectively. UV-vis-NIR transmission spectrum shows the cutoff wavelength around 357 nm. In addition, a photoluminescence spectral analysis was carried out for 8-HQSU crystals. The thermal properties of crystals were evaluated from TGA and DTA techniques and the crystal was found to be stable up to 145 C. The dielectric studies show that the dielectric constant and dielectric loss decrease exponentially with frequency at different temperatures. Photoconductivity studies were carried out on the grown crystals it reveals the positive photo conducting nature. Powder second harmonic generation property of the crystal was confirmed by Kurtz and Perry powder SHG technique and it is found to be 1.3 times greater than that of KDP.

  6. Synthesis and characterization of 8-hydroxyquinoline complexes of tin(IV) and their application in organic light emitting diode.

    PubMed

    Fazaeli, Yousef; Amini, Mostafa M; Najafi, Ezzatollah; Mohajerani, Ezeddin; Janghouri, Mohammad; Jalilian, Amirreza; Ng, Seik Weng

    2012-09-01

    A series of 8-hydroxyquinoline complexes of tin, Q(2)SnCl(2) (Q = 2-methyl-8-hydroxyquinoline, 8-hydroxyquinoline, 5,7-dibromo-8-hydroxyquinoline, 5-chloro-8-hydroxyquinoline, 5,7-dichloro-8-hydroxyquinoline and 5-nitro-8-hydroxyquinoline) were prepared by reacting stannous dichloride with 8-hydroxyquinoline and its derivatives. All complexes were characterized by elemental analysis, mass spectrometry and infrared, UV-vis and (1)H NMR spectroscopes. Furthermore, the molecular structure of a representative complex, dichlorido-bis(5-nitro-quinolin-8-olato-2N,O)tin(IV), was determined by single-crystal X-ray diffraction. The photoluminescence (PL) properties of all prepared compounds and electroluminescence (EL) property of a selected complex (Q = 5-chloro-8-hydroxyquinoline) were investigated. The results showed that the emission wavelength can be tuned by electron donating or withdrawing group substituent on 8-hydroxyquinoline. Application of prepared complexes in fabrication of an OLED has been demonstrated. PMID:22695927

  7. Comparative Study of Photoluminescence Dynamics of Tris(8-hydroxyquinoline) Aluminum-Based Organic Multilayer Structures with Different Types of Energy Lineups

    NASA Astrophysics Data System (ADS)

    Fujita, Shizuo; Nakazawa, Tadahiro; Asano, Mitsuru; Fujita, Shigeo

    2000-09-01

    Photoluminescence (PL) dynamics of aluminumquinoline (Alq3; tris(8-hydroxyquinoline) aluminum)-based organic multilayer structures, i.e., Alq3/oxadiazole (t-BuPBD; (2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole), Alq3/cyclopentadiene (PPCP; 1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene), and Alq3/diamine (TPD; N,N?-diphenyl-N,N?-bis-(3-methylphenyl)-[1,1?-biphenyl]-4,4?-diamine), which possess different types of energy lineups (equivalent to types I and II of inorganic semiconductor multilayer structures) of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels, were investigated and compared. The fast energy transfer followed by strong PL in Alq3 was proved for Alq3/PBD which is of type-I energy lineup, while the tendency of separation of excitons, i.e., electrons and holes generated in the excited molecules, was demonstrated for Alq3/PPCP and Alq3/TPD which are of type II@. These results indicate that the energy lineup with respect to HOMO and LUMO energy levels can be a guideline for luminescence dynamics in organic multilayer structures.

  8. Investigation of the Antimycobacterial Activity of 8-Hydroxyquinolines.

    PubMed

    Cieslik, Wioleta; Spaczynska, Ewelina; Malarz, Katarzyna; Tabak, Dominik; Nevin, Eoghan; O'Mahony, Jim; Coffey, Aidan; Mrozek-Wilczkiewicz, Anna; Jampilek, Josef; Musiol, Robert

    2015-01-01

    A series of styrylquinolines and quinolineamides based on the 8-hydroxyquinoline moiety were investigated as potential antimycobacterial agents. The lipophilicity of the compounds was measured using RP-HPLC and the tests of their activity against Mycobacterium kansasii, the M. avium complex, M. smegmatis, M. abscessus, M. tuberculosis and M. avium paratuberculosis was performed. Several of the compounds that were obtained appeared to be more effective than isoniazid and ciprofloxacin. The 5,7-dinitro-8-hydroxyquinoline derivative possessed the highest potency against M. abscessus and M. Smegmatis, which was about twice as effective as ciprofloxacin, while 2-(2-hydroxystyryl)-8-hydroxyquinoline-7-carboxylic acid appeared to be comparable with the standard drugs that are against the M. avium complex. The structure activity relationships are discussed. PMID:26256587

  9. Photoemission study of tris(8-hydroxyquinoline) aluminum/aluminum oxide/tris(8-hydroxyquinoline) aluminum interface

    SciTech Connect

    Ding Huanjun; Zorba, Serkan; Gao Yongli; Ma Liping; Yang Yang

    2006-12-01

    The evolution of the interface electronic structure of a sandwich structure involving aluminum oxide and tris(8-hydroxyquinoline) aluminum (Alq), i.e. (Alq/AlO{sub x}/Alq), has been investigated with photoemission spectroscopy. Strong chemical reactions have been observed due to aluminum deposition onto the Alq substrate. The subsequent oxygen exposure releases some of the Alq molecules from the interaction with aluminum. Finally, the deposition of the top Alq layer leads to an asymmetry in the electronic energy level alignment with respect to the AlO{sub x} interlayer.

  10. Investigating the activity spectrum for ring-substituted 8-hydroxyquinolines.

    PubMed

    Musiol, Robert; Jampilek, Josef; Nycz, Jacek E; Pesko, Matus; Carroll, James; Kralova, Katarina; Vejsova, Marcela; O'Mahony, Jim; Coffey, Aidan; Mrozek, Anna; Polanski, Jaroslaw

    2010-01-01

    In this study, a series of fourteen ring-substituted 8-hydroxyquinoline derivatives were prepared. The synthesis procedures are presented. The compounds were analyzed using RP-HPLC to determine lipophilicity. They were tested for their activity related to inhibition of photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. Primary in vitro screening of the synthesized compounds was also performed against four mycobacterial strains and against eight fungal strains. Several compounds showed biological activity comparable with or higher than the standards isoniazid or fluconazole. For all the compounds, the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed. PMID:20110891

  11. Gelation Behavior of 5-Chloro-8-hydroxyquinoline, an Antituberculosis Agent in Aqueous Alcohol Solutions

    PubMed Central

    Kolehmainen, Erkki; Salo, Hannu; Korpela, Jukka

    2012-01-01

    It was shown that 5-chloro-8-hydroxyquinoline, an antituberculosis agent, gels aqueous alcohol solutions efficiently. Thermal stability and gel-to-sol transition temperature of 1% gel in CD3OD/D2O (2:1) was studied by 1H-NMR. Fibrous structures of four xerogels have been characterized by scanning electron microscope.

  12. Oxocomplexes of Mo(vi) and W(vi) with 8-hydroxyquinoline-5-sulfonate in solution: structural studies and the effect of the metal ion on the photophysical behaviour.

    PubMed

    Lusa Ramos, M; Justino, Licnia L G; Abreu, Paulo E; Fonseca, Sofia M; Burrows, Hugh D

    2015-11-28

    Multinuclear ((1)H, (13)C, (95)Mo and (183)W) NMR spectroscopy, combined with DFT calculations, provides detailed information on the complexation between the Mo(vi) and W(vi) oxoions and 8-hydroxyquinoline-5-sulfonate (8-HQS) in aqueous solution. Over the concentration region studied, Mo(vi) and W(vi) oxoions form three homologous complexes with 8-HQS in water in the pH range 2-8. Two of these, detected at pH < 6, are mononuclear 1?:?2 (metal?:?ligand) isomers, with the metal centre (MO2(2+)) coordinated to two 8-HQS ligands. An additional complex, dominant at slightly higher pH values (5-8) for solutions with a 1?:?1 metal?:?ligand molar ratio, has a binuclear M2O5(2+) centre coordinated to two 8-HQS ligands. The two metal atoms are bridged by three oxygen atoms, two coming from 8-HQS, together with the M-O-M bridge of the bimetallic centre. We show that the long-range exchange corrected BOP functional with local response dispersion (LCBOPLRD), together with explicit solvent molecules, leads to geometries that readily converge to equilibrium structures having realistic bridging O8-HQS-M bonds. Previous attempts to calculate the structures of such binuclear complexes using DFT with the B3LYP functional have failed due to difficulties in treating the weak interaction in these bridged structures. We believe that the LCBOPLRD method may be of more general application in theoretical studies in related binuclear metal complexes. UV/visible absorption and luminescence spectra of all the complexes have also been recorded. The complex between Mo(vi) and 8-HQS is only weakly luminescent, in contrast to what has been observed with this ligand and many other metal ions. We suggest that this is due to the presence of low-lying ligand-to-metal charge transfer (LMCT) states close to the emitting ligand-based level which quench the emission. However, with W(vi), DFT calculations show that the LMCT states are now much higher in energy than the ligand based levels, leading to a marked increase in fluorescence. PMID:26498366

  13. New approach to synthesize 8-hydroxyquinoline-based complexes with Zn2+ and their luminescent properties

    NASA Astrophysics Data System (ADS)

    Wang, Ruifang; Cao, Yali; Jia, Dianzeng; Liu, Lang; Li, Fang

    2013-12-01

    In this paper, zinc(II) bis-(8-hydroxyquinoline) dihydrate (ZnQ22H2O) and zinc(II) bis-(2-methyl-8-hydroxyquinoline) monohydrate (Zn(MQ)2H2O) were successfully prepared by a room-temperature solid-state chemical reaction using zinc acetate (Zn(CH3COO)22H2O), 8-hydroxyquinoline (HQ) and 2-methyl-8-hydroxyquinoline (2-methyl-8-HQ) as the starting materials. The results of X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR) and thermal analysis (TG/DSC) demonstrated that the chemical composition of the products were ZnQ22H2O and Zn(MQ)2H2O. The scanning electron microscopy (SEM) images and the transmission electron microscopy (TEM) images showed that the products ZnQ22H2O and Zn(MQ)2H2O had sheet-like morphology with a thickness of about 50 nm. The UV-vis absorption spectra of ZnQ22H2O and Zn(MQ)2H2O indicated that they existed charge transfer from the metal to the ligand (MLCT bands). The room-temperature photoluminescence (PL) spectra of ZnQ22H2O revealed that the sample possessed largely blue shift compared with the previous reports. Besides, the two complexes presented a consistent decline situation along with the decline concentration in chloroform solution, which due to solvate effect and structural similarity. The fluorescence quantum yields were measured at 36.58% and 0.07%, and the emission colors were blue-green and light-blue, respectively. The fluorescence quantum yield of ZnQ22H2O was higher than some reported similar structure. The method was believed to largely facilitate the fabrication and application of organometallic complex nanomaterials.

  14. Gluconjugates of 8-hydroxyquinolines as potential anti-cancer prodrugs.

    PubMed

    Oliveri, Valentina; Giuffrida, Maria Laura; Vecchio, Graziella; Aiello, Cinzia; Viale, Maurizio

    2012-04-21

    8-Hydroxyquinolines are systems of great interest in the field of inorganic and bioinorganic chemistry. They are metal-binding compounds and are known to exhibit a variety of biological activities, such as antibacterial and anticancer activities. Among these systems, clioquinol has been the focus of a renewed interest in recent years. In this scenario, we synthesized and characterized the new clioquinol glucoconjugate, 5-chloro-7-iodo-8-quinolinyl-?-D-glucopyranoside in order to compare this system to that of clioquinol. We also synthesized, 8-quinolinyl-?-D-glucopyranoside, an 8-hydroxyquinoline glucoconjugate. The reason for the development of glucoconjugates is the glucose avidity, and the over-expression of glucose transporters in cancer cells. Here we demonstrate that glycoconjugates are cleaved in vitro by ?-glucosidase and these systems exhibit antiproliferative activity against different tumor cell lines in the presence of copper(II) ions. PMID:22354329

  15. Pyrithione and 8-hydroxyquinolines transport lead across erythrocyte membranes.

    PubMed

    Lind, Stuart E; Park, Jong Sung; Drexler, John W

    2009-09-01

    Acute and chronic lead poisoning remains a significant health problem. Although chelating agents can bind to plasma lead, they cannot cross cell membranes where the total body lead burden resides, and are thus inefficient at reducing the total body lead burden. Recently, calcium and sodium ionophores have been shown to transport lead across cell membranes providing a novel method for reducing total body lead stores. We recently found that clioquinol, an 8-hydroxyquinoline derivative, can act as a zinc ionophore. We postulated that zinc ionophores might also be able to transport lead across biological membranes. To study this, we loaded lead in vitro into human erythrocytes and then studied the ability of zinc ionophores to transport lead into the extracellular space, where it was trapped with a lead chelator. Using inductively coupled plasma mass spectrometry (ICP-MS), we found that several 8-hydroxyquinoline derivatives, as well as the zinc and sodium salts of pyrithione (N-hydroxypyridine-2-thione), reduced erythrocyte lead content. The water-soluble compound, sodium pyrithione, was able to reduce lead in citrated whole blood, without partitioning into the erythrocytes. These results indicate that two classes of zinc ionophores can transport lead across a biological membrane, and they confirm that these ionophores are not cation-specific. Lead ionophores may prove useful in mobilizing lead into the extracellular space, thereby improving the efficacy of chelation therapy, in vivo or ex vivo. PMID:19665691

  16. Experimental and Theoretical Study of O-Substituent Effect on the Fluorescence of 8-Hydroxyquinoline

    PubMed Central

    Zayed, Mohie E. M.; El-Shishtawy, Reda M.; Elroby, Shaaban A.; Obaid, Abdullah Y.; Al-amshany, Zahra M.

    2015-01-01

    The synthesis and characterization of different ether and ester derivatives of 8-hydroxyquinoline have been made. UV-visible and fluorescence spectra of these compounds have revealed spectral dependence on both solvent and O-substituent. The fluorescence intensity of ether derivatives revealed higher intensity for 8-octyloxyquinoline compared with 8-methoxyquinoline, whereas those of ester derivatives had less fluorescence than 8-hydroxyquinoline. Theoretical calculations based on Time-dependent density functional theory (TD-DFT) were carried out for the quinolin-8-yl benzoate(8-OateQ) compound to understand the effect of O-substituent on the electronic absorption of 8-hydroxyquinaline (8-HQ). The calculations revealed comparable results with those obtained from the experimental data. Optimized geometrical structure was calculated with DFT at B3LYP/6-311++G** level of theory. The results indicated that 8-OateQ is not a coplanar structure. The absorption spectra of the compound were computed in gas-phase and solvent using B3LYP and CAM-B3LYP methods with 6-311++G ** basis set. The agreement between calculated and experimental wavelengths was very good at CAM-B3LYP/6-311++G** level of theory. PMID:25674853

  17. Experimental and theoretical study of o-substituent effect on the fluorescence of 8-hydroxyquinoline.

    PubMed

    Zayed, Mohie E M; El-Shishtawy, Reda M; Elroby, Shaaban A; Obaid, Abdullah Y; Al-amshany, Zahra M

    2015-01-01

    The synthesis and characterization of different ether and ester derivatives of 8-hydroxyquinoline have been made. UV-visible and fluorescence spectra of these compounds have revealed spectral dependence on both solvent and O-substituent. The fluorescence intensity of ether derivatives revealed higher intensity for 8-octyloxyquinoline compared with 8-methoxyquinoline, whereas those of ester derivatives had less fluorescence than 8-hydroxyquinoline. Theoretical calculations based on Time-dependent density functional theory (TD-DFT) were carried out for the quinolin-8-yl benzoate (8-OateQ) compound to understand the effect of O-substituent on the electronic absorption of 8-hydroxyquinaline (8-HQ). The calculations revealed comparable results with those obtained from the experimental data. Optimized geometrical structure was calculated with DFT at B3LYP/6-311++G** level of theory. The results indicated that 8-OateQ is not a coplanar structure. The absorption spectra of the compound were computed in gas-phase and solvent using B3LYP and CAM-B3LYP methods with 6-311++G ** basis set. The agreement between calculated and experimental wavelengths was very good at CAM-B3LYP/6-311++G** level of theory. PMID:25674853

  18. Polynorbornene derived 8-hydroxyquinoline paper strips for ultrasensitive chemical nerve agent surrogate sensing.

    PubMed

    Sarkar, Santu; Shunmugam, Raja

    2014-08-11

    The detection of nerve agent simulants is achieved by the photoinduced electron transfer (PET) mechanism. A "turn-on" fluorescence response upon phosphorylation at 8-hydroxyquinoline of norbornene-based triazolyl functionalized 8-hydroxyquinoline () followed by intramolecular rearrangement provides very intense green emission. The detection limit of polymer () coated paper strips is 25 ppb with instantaneous response. PMID:24948420

  19. Hole transporting properties of tris(8-hydroxyquinoline) aluminum (Alq3)

    NASA Astrophysics Data System (ADS)

    Fong, H. H.; So, S. K.

    2006-11-01

    The hole transporting properties of tris (8-hydroxyquinoline) aluminum (Alq3) were investigated by time-of-flight (TOF) technique between 278 and 373K, and under an applied field range of 0.6-1.3MV/cm. At room temperature, the hole mobility has a value between 10-9 and 10-8cm2V-1s-1. The hole mobility is at least two orders of magnitude less than electron under identical preparation and measurement conditions. Generally, all hole TOF transients of Alq3 exhibit a nondispersive behavior, with a clear plateau region and a dispersion tail. Two disorder transport models, namely, the Gaussian disorder model (GDM) and the correlated disorder model (CDM), were applied to analyze the temperature and field dependent hole mobility data. The GDM, however, is found to be invalid because it fails to produce a meaningful positional disorder parameter. The CDM gives a better fit to the data, yet the model is still not satisfactory.

  20. Design and synthesis of 8-hydroxyquinoline-based radioprotective agents.

    PubMed

    Ariyasu, Shinya; Sawa, Akiko; Morita, Akinori; Hanaya, Kengo; Hoshi, Misato; Takahashi, Ippei; Wang, Bing; Aoki, Shin

    2014-08-01

    In radiation therapy, adverse side effects are often induced due to the excessive cell death that occurs in radiosensitive normal cells. The radiation-induced cell death of normal cells is caused, at least in part, by apoptosis, which undergoes via activation of p53 and increase in the p53 protein, a zinc-containing transcriptional factor, in response to cellular damage. Therefore, radioprotective drugs that can protect normal cells from radiation and thus suppress adverse side effects would be highly desirable. We report herein on the radioprotective activity of 8-hydroxyquinoline (8HQ) derivatives that were initially designed so as to interact with the Zn(2+) in p53. Indeed, the 5,7-bis(methylaminosulfonyl)-8HQ and 8-methoxyquinoline derivatives considerably protected MOLT-4 cells against ?-ray radiation (10 Gy), accompanied by a low cytotoxicity. However, mechanistic studies revealed that the interaction of these drugs with p53 is weak and the mechanism for inhibiting apoptosis appears to be different from that of previously reported radioprotectors such as bispicen, which inhibits apoptosis via the denaturation of p53 as well as by blocking both transcription-dependent and -independent apoptotic pathways. PMID:25002230

  1. Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moiety.

    PubMed

    Freitas, Luiza B de O; Borgati, Thiago F; de Freitas, Rossimiriam P; Ruiz, Ana L T G; Marchetti, Gabriela M; de Carvalho, Joo E; da Cunha, Elaine F F; Ramalho, Teodorico C; Alves, Rosemeire B

    2014-09-12

    Twelve novel 8-hydroxyquinoline derivatives were synthesized with good yields by performing copper-catalyzed Huisgen 1,3-dipolar cycloaddition ("click" reaction) between an 8-O-alkylated-quinoline containing a terminal alkyne and various aromatic or protected sugar azides. These compounds were evaluated in vitro for their antiproliferative activity on various cancer cell types. Protected sugar derivative 16 was the most active compound in the series, exhibiting potent antiproliferative activity and high selectivity toward ovarian cancer cells (OVCAR-03, GI50 < 0.25 ?g mL(-1)); this derivative was more active than the reference drug doxorubicin (OVCAR-03, GI50 = 0.43 ?g mL(-1)). In structure-activity relationship (SAR) studies, the physico-chemical parameters of the compounds were evaluated and docking calculations were performed for the ?-glucosidase active site to predict the possible mechanism of action of this series of compounds. PMID:25062010

  2. [Preparation and characterization of 2(8-hydroxyquinoline)-2( phenol) zirconium thin film].

    PubMed

    Hao, Yu-ying; Hao, Hai-tao; Wang, Hua; Zhou, He-feng; Liu, Xu-guang; Xu, Bing-she

    2004-12-01

    In this paper, the new emitting material zirconium complex with 8-hydroxyquinoline and phenol (Zr(OPh)2 q2), which can form high quality nano-scale amorphous thin films at glass substrates cleaned by vacuum evaporation, was synthesized. Its crystallization, thermal stability, the structure of energy band and PL mechanism were investigated respectively by FTIR spectra, DTA-TG analysis, SEM, XRD spectra, UV-Vis absorption spectra and fluorescence spectra. Results show that the Zr(OPh)2 q2 is a thermally stable material, whose melting point is 381.2 degrees C, decomposition temperature is 467.1 degrees C, whose film can emits intense yellow-green fluorescence with peak wavelength at 525 nm and a full width at half-maximum of 107.6 nm under UV excitation (390 nm), powder has intense yellow fluorescence, therefore it may be a excellent electroluminescent material. PMID:15828317

  3. Synthesis and photophysical properties of aluminium tris-(4-morpholine-8-hydroxyquinoline)

    PubMed Central

    Omar, Walaa A.E.

    2012-01-01

    Aluminium tris(4-morpholinyl-8-hydroxyquinoline) has been synthesized and characterized. The photoluminescence measurements showed that the new derivative is blue shifted and has relative photoluminescence quantum yield two times higher compared to the pristine Al tris(8-hydroxyquinoline). Deferential scanning colorimetric studies revealed that the newly synthesized Alq3 derivative in this work is amorphous material with the highest transition glass temperature value among the reported amorphous Alq3 derivatives. PMID:25685461

  4. Formation of stacked luminescent complex of 8-hydroxyquinoline molecules on hydroxyapatite coating by using cold isostatic pressing.

    PubMed

    Matsuya, Takehiko; Otsuka, Yuichi; Tagaya, Motohiro; Motozuka, Satoshi; Ohnuma, Kiyoshi; Mutoh, Yoshiharu

    2016-01-01

    Cold isostatic pressing successfully formed a chelate complex of 8-hydroxyquinoline (8 Hq) molecules on plasma-sprayed hydroxyapatite (HAp) coating by solid-state reaction. The complex emits a fluorescence peak at approximately 500 nm by UV irradiation. The red shift of the fluorescence was newly observed in the cases of highly compressed complex due to ? - ? stacking of aromatic ring in the molecular structure of 8 Hq. The immersed complex coating in Simulated Body Fluid (SBF) demonstrated amorphous apatite precipitation and kept its fluorescence property. PMID:26478295

  5. Synthesis and characterization of ?-cyclodextrin inclusion complex containing di(8-hydroxyquinoline)magnesium

    NASA Astrophysics Data System (ADS)

    He, Jiang; Deng, Li; Yang, Shanshan

    2008-09-01

    The ?-cyclodextrin (?-CD) inclusion complex containing di(8-hydroxyquinoline)magnesium was prepared. The product was characterized by NMR, IR, differential thermal thermogravimetric analysis (DT-TGA), spectrofluorimetry, and elemental analysis, indicating the formation of inclusion complex in which the quinoline rings of the guest were encapsulated within the ?-CD cavities. The Job's method provided 2:1 stoichiometry for the inclusion complex between ?-CD and di(8-hydroxyquinoline)magnesium. The association constant calculated with the modified Benesi-Hildebrand equation at 25 C was determined. And the mean association constant was 3577 (L/mol) 2, R.S.D. was 2.58%. The thermal stability and solubility of di(8-hydroxyquinoline)magnesium were improved when forming inclusion complex.

  6. Room temperature ferromagnetic properties of Al-doped bis(8-hydroxyquinoline)cobalt (Coq2) molecules

    NASA Astrophysics Data System (ADS)

    Jiang, Feng; Wei, Fangfang; Yuan, Huimin; Xie, Wanfeng; Pang, Zhiyong; Zhang, Xijian

    2015-08-01

    Room temperature ferromagnetic properties were obtained in an originally paramagnetic molecule bis(8-hydroxyquinoline)cobalt (Coq2) by doping a nonmagnetic element aluminum. The Al-doped Coq2 films with the thicknesses of about 200 nm were prepared on Si substrates by co-evaporating pure Coq2 powders (99%) and Al wires (99%) simultaneously at a base pressure of 1.910-4 Pa. The magnetic properties of the films were measured at different temperatures by using a Quantum Design superconducting quantum interference device (SQUID). The obtained maximum coercive field is about 250 Oe at 300 K. The electronic structures of Al-doped Coq2 were studied by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) analysis. The FTIR and XPS spectra indicate that the doped Al atoms prefer to interact with N and O atoms in Coq2 molecules. XAFS analysis shows that the Coq2 molecule does not decompose during the co-evaporating process. The ferromagnetism of the film is attributed to the interactions between Al and N p states in lowest unoccupied molecular orbitals (LUMO).

  7. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.

    PubMed

    Arjunan, V; Mohan, S; Ravindran, P; Mythili, C V

    2009-05-01

    The Fourier transform infrared (FTIR) and FT-Raman spectra of 7-bromo-5-chloro-8-hydroxyquinoline (BCHQ) have been measured in the range 4000-400 and 4000-100cm(-1), respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP and HF methods with 6-31G** basis set. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from ab initio HF and density functional theory (DFT) gradient calculations employing the HF/6-31G** and B3LYP/6-31G** methods for the optimised geometry of the compound. The structural parameters and normal modes of vibration obtained from HF and DFT methods are in good agreement with the experimental data. Normal coordinate analysis was also carried out with ab initio force fields utilising Wilson's FG matrix method. PMID:19112045

  8. Self-assembly of 2-aldehyde-8-hydroxyquinolinate-based lanthanide complexes and NIR luminescence

    NASA Astrophysics Data System (ADS)

    Zhang, Meiqi; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei

    2015-02-01

    Self-assembly reaction of 2-aldehyde-8-hydroxyquinoline, tris(hydroxymethyl)aminomethane and LnCl3?6H2O affords a series of mononuclear lanthanide complexes Ce(baho)2Et2O (1) (H2baho = 2,8-bis(2-(8-hydroxylquinolinyl))-1-aza-5-hydroxymethyl-3,7-dioxabicyclo[3.3.0]octane), Dy(nhm)2Cl0.5H2O (2) and Ln(nhm)2Cl0.5C6H14 (Ln = Ho (3), Er (4), Yb (5) and Hnhm = N-(2-(8-hydroxylquinolinyl)methylene)(trishydroxymethyl)methylamine. The crystal structures have been determined by X-ray crystallographic analysis, and the tetravalence of Ce in 1 has been proven by XPS. Interestingly, the positive charge of Ce4+ ion in 1 is neutralized by two deprotonated baho2- ligands, while two deprotonated nhm- ligands and one Cl- compensate the positive charge of Ln3+ ions in 2-5. Complex 5 exhibit essential NIR luminescence of Yb3+ ion with lifetime of 17.64 ?s in solid and 9.96 ?s in CH3OH solution.

  9. Synthesis and electroluminescence properties of tris-[5-choloro-8-hydroxyquinoline] aluminum Al(5-Clq)3

    NASA Astrophysics Data System (ADS)

    Kumar, Rahul; Bhargava, Parag; Srivastava, Ritu; Tyagi, Priyanka

    2015-06-01

    A new electroluminescent material tris-[5-choloro-8-hydroxyquinoline] aluminum has been synthesized and characterized. Solution of this material Al(5-Clq)3 in toluene showed absorption maxima at 385 nm which was attributed to the moderate energy (?-?*) transitions of the aromatic rings. The photoluminescence spectrum of Al(5-Clq)3 in toluene solution showed a peak at 522 nm. This material shows thermal stability up to 400 C. The structure of the device is ITO/0.4 wt%F4-TCNQ doped ?-NPD (35 nm) / Al(5-Clq)3 (30 nm) / BCP (6 nm) / Alq3 (30 nm) / LiF (1 nm) / Al (150 nm). This device exhibited a luminescence peak at 585 nm (CIE coordinates, x = 0.39, y = 0.50). The maximum luminescence of the device was 920 Cd/m2 at 25 V. The maximum current efficiency of OLED was 0.27 Cd/A at 20 V and maximum power efficiency was 0.04 lm/W at 18 V.

  10. Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and ?-diketone ligands: single-molecule magnet, magnetic refrigeration and luminescence properties.

    PubMed

    Wang, Shi-Yu; Wang, Wen-Min; Zhang, Hong-Xia; Shen, Hai-Yun; Jiang, Li; Cui, Jian-Zhong; Gao, Hong-Ling

    2016-02-16

    Seven dinuclear complexes based on 8-hydroxyquinoline Schiff base derivatives and ?-diketone ligands, [RE2(hfac)4L2] (RE = Y (), Gd (), Tb (), Dy (), Ho (), Er () and Lu (); hfac(-) = hexafluoroacetylacetonate; HL = 2-[(4-chloro-phenylimino)-methyl]-8-hydroxyquinoline), have been synthesized, and structurally and magnetically characterized. Complexes have similar dinuclear structures, in which each RE(III) ion is eight coordinated by two L(-) and two hfac(-) ligands in a distorted dodecahedron geometry. The luminescence spectra indicate that complex exhibits characteristic Tb(III) ion luminescence, while and show HL ligand luminescence. The magnetic studies reveal that features a magnetocaloric effect with the magnetic entropy change of -?Sm = 16.83 J kg(-1) K(-1) at 2 K for ?H = 8 T, and displays slow magnetic relaxation behavior with the anisotropic barrier of 6.7 K and pre-exponential factor ?0 = 5.3 10(-6) s. PMID:26792239

  11. Tris-(8-hydroxyquinoline)aluminum thin film as ETL in efficient green phosphorescent OLEDs

    NASA Astrophysics Data System (ADS)

    Thangaraju, K.; Kim, Yun-Hi; Kwon, Soon-Ki

    2013-02-01

    Tris-(8-hydroxyquinoline)aluminum thin film as ETL in green phosphorescent OLEDs improves the device performances to a maximum of 34.2 cd/A, 11.3% with the maximum brightness of 63,150 cd/m2 and broadens the device emission in yellow-green region suitable in the white OLEDs for the lighting applications.

  12. Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.

    PubMed

    Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin

    2015-11-16

    New dinuclear lanthanide(III) complexes based on an 8-hydroxyquinoline Schiff base derivative and β-diketonate ligands, [Ln2(hfac)4(L)2] (Ln(III) = Gd (1), Tb (2), Dy (3), Ho (4), Er (5)), [Ln2(tfac)4(L)2] (Ln(III) = Gd (6), Tb (7), Dy (8), Ho (9)), and [Dy(bfac)4(L)2·C7H16] (10) (L = 2-[[(4-fluorophenyl)imino] methyl]-8-hydroxyquinoline, hfac = hexafluoroacetylacetonate, tfac = trifluoroacetylacetonate, and bfac = benzoyltrifluoroacetone), have been synthesized. The single-crystal X-ray diffraction data show that complexes 1-10 are phenoxo-O-bridged dinuclear complexes; each eight-coordinated center Ln(III) ion is in a slightly distorted dodecahedral geometry with two bidentate β-diketonate coligands and two μ2-O bridging 8-hydroxyquinoline Schiff base derivative ligands. The magnetic study reveals that 1 and 6 display cryogenic magnetic refrigeration properties, whereas complexes 3, 8, and 10 show different SMM behaviors with energy barriers of 6.77 K for 3, 19.83 K for 8, and 25.65 K for 10. Meanwhile, slow magnetic relaxation was observed in 7, while no out-of-phase alternating-current signals were found for 2. The different dynamic magnetic behaviors of two Tb2 complexes and the three Dy2 complexes mainly derive from the tiny crystal structure changes around the Ln(III) ions. It is also proved that the β-diketonate coligands can play an important role in modulating magnetic dynamics of the lanthanide 8-hydroxyquinoline Schiff base derivative system. PMID:26516660

  13. In vitro studies on the antioxidant and protective effect of 2-substituted -8-hydroxyquinoline derivatives against H(2)O(2)-induced oxidative stress in BMSCs.

    PubMed

    Wang, Ting-Ting; Zeng, Gong-Chang; Li, Xi-Can; Zeng, He-Ping

    2010-02-01

    Novel 2-vinyl-8-hydroxyquinoline derivatives as potential antioxidants and regulators of H(2)O(2)-induced oxidative stress in rat bone marrow mesenchymal stem cells (MSCs) are first reported. The antiradical properties and the reducing power of these compounds were assessed using 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and auto-oxidation of pyrogallol method, respectively. The activity against lipid peroxidation was determined using ammonium thiocyanate method. The results revealed that introduction of electron-donating groups at 2nd position decreased the antioxidant activities of 8-hydroxyquinoline derivatives. In addition, compound 4, the structure of which is similar to melatonin, exhibited superior antioxidant activities in scavenging DPPH free radical, O(2) free radical, and anti-LPO activities. Except for compounds 7, 12, and 15, the other compounds exhibited a stimulatory effect on MSCs growth. Using hydrogen peroxide (H(2)O(2)), we also investigated the protective efficacy of 2-vinyl-8-hydroxyquinoline derivatives against oxidative stress-induced cell death of MSCs. Cell viability assayed by MTT method indicated that exposure of MSCs cultures to hydrogen peroxide resulted in a concentration-dependent decrease in cell viability, and compounds 4 and 5 at given concentration (2.62 x 10(-3) m) could protect MSCs against H(2)O(2)-induced oxidative stress in bone mesenchymal stem cell (BMSCs). PMID:20028394

  14. 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation

    PubMed Central

    Aik, WeiShen; Che, Ka Hing; Li, Xuan Shirley; Kristensen, Jan B. L.; King, Oliver N. F.; Chan, Mun Chiang; Yeoh, Kar Kheng; Choi, Hwanho; Walport, Louise J.; Thinnes, Cyrille C.; Bush, Jacob T.; Lejeune, Clarisse; Rydzik, Anna M.; Rose, Nathan R.; Bagg, Eleanor A.; McDonough, Michael A.; Krojer, Tobias; Yue, Wyatt W.; Ng, Stanley S.; Olsen, Lars; Brennan, Paul E.; Oppermann, Udo; Muller-Knapp, Susanne; Klose, Robert J.; Ratcliffe, Peter J.; Schofield, Christopher J.; Kawamura, Akane

    2015-01-01

    2-Oxoglutarate and iron dependent oxygenases are therapeutic targets for human diseases. Using a representative 2OG oxygenase panel, we compare the inhibitory activities of 5-carboxy-8-hydroxyquinoline (IOX1) and 4-carboxy-8-hydroxyquinoline (4C8HQ) with that of two other commonly used 2OG oxygenase inhibitors, N-oxalylglycine (NOG) and 2,4-pyridinedicarboxylic acid (2,4-PDCA). The results reveal that IOX1 has a broad spectrum of activity, as demonstrated by the inhibition of transcription factor hydroxylases, representatives of all 2OG dependent histone demethylase subfamilies, nucleic acid demethylases and ?-butyrobetaine hydroxylase. Cellular assays show that, unlike NOG and 2,4-PDCA, IOX1 is active against both cytosolic and nuclear 2OG oxygenases without ester derivatisation. Unexpectedly, crystallographic studies on these oxygenases demonstrate that IOX1, but not 4C8HQ, can cause translocation of the active site metal, revealing a rare example of protein ligand-induced metal movement

  15. Catalysis by manganese (III) 8-hydroxyquinolinates of the chemiluminescent reaction of luminol with hydrogen peroxide

    SciTech Connect

    Kalinichenko, I.E.; Matveeva, E.Y.; Pilipenko, A.T.

    1985-09-01

    This paper examines the kinetics of the reaction of luminol with H/sub 2/O/sub 2/ in the presence of Mn (III) 8-hydroxyquinolinate according to the data of measurements of the chemiluminescence intensity and the yield of light in this reaction. A reaction mechanism was proposed, providing for the oxidation of luminol by complexes of Mn (IV) that are formed in the decoposition of H/sub 2/O/sub 2/.

  16. Design, synthesis, anti-schistosomal activity and molecular docking of novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives.

    PubMed

    Eweas, Ahmad F; Allam, Gamal; Abuelsaad, Abdelaziz S A; ALGhamdi, Abdul Hamid; Maghrabi, Ibrahim A

    2013-02-01

    Schistosomiasis remains one of the most prevalent parasitic infections and has significant public health consequences. Praziquantel (PZQ) is the only drug currently administrated to treat this disease. However, praziquantel-resistant parasites have been identified in endemic areas and can be generated in the laboratory. Therefore, it is essential to find new therapeutics. Herein we report a series of novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives, which were synthesized, characterized and tested as anti-schistosomal agents in vitro. Among all tested compounds, compounds 4a, 5b, and 7b at different tested concentrations (50, 100, and 200 ?g/mL) showed the highest schistosomicidal activity. Among those 3 compounds, compound 7b was the most potent anti-schistosomal one. Moreover, all tested compound, at 50 ?g/mL concentration, significantly reduced oviposition of adult worms in vitro. Furthermore, both compound 4a and 7b, as well as compound 6a, completely diminished egg deposition. To clarify the possible mechanism by which novel 8-hydroxyquinoline-5-sufonyl 1,4-diazepine derivatives act as anti-schistosomal agents, molecular docking of all new compounds was carried out using Molsoft ICM pro 3.5-0a to investigate the binding affinity and binding mode to thioredoxin glutathione reductase enzyme (TGR), a potential drug target for anti-schistosomal agents. The docking results revealed moderate to high affinity of the new compounds towards TGR. Compound 7b scored the highest binding energy (-101.13 kcal/mol) against TGR crystal structure forming eight hydrogen bonds with the amino acid residues at the binding site of the receptor. This result indicates that compound 7b could exert its effect through inhibition of TGR, which is a vital enzyme for schistosome survival. PMID:23247256

  17. [Synthesis and adsorption property of Cd(II) - 8-hydroxyquinoline molecularly imprinted polymer microspheres].

    PubMed

    Yang, Chun-Yan; Chen, Fu-Bin; Zhao, Hui; Chang, Zi-Qiang; Zhang, Zhu-Jun

    2014-06-01

    Cd(II) ion could form a stable complex with 8-hydroxyquinoline (molar rate = 1 : 1) in ethanol solution as revealed by ultraviolet spectrum analysis. Based on this molar rate of Cd(II) ions and 8-hydroxyquinoline, Cd(II) ions imprinting polymer microspheres were synthesized by water-in-oil-in-water (W/O/W) emulsions polymerization, using metal Cd(II) ions as template, 8-hydroxyquinoline as ligand, methacrylic acid as functional monomer, ethylene acrylic acid methyl ester as cross-linker, and azodiisobutyronitrile as initiator in aqueous phase. The influences of the dosage of emulsifier, porogen and outer aqueous phase on the morphology and adsorption property of MIP were studied. The morphology of MIP was characterized by SEM which showed that the diameter of MIP was of micrometer grade and the shape was homogeneous under some operating conditions. The adsorption properties of MIP synthesized under different conditions were compared. The influences of solution pH, adsorption time, initial concentration and temperature on MIP adsorbed Cd(II) ions were assessed. The results showed that MIP showed fast kinetics for adsorption and desorption of Cd(II) ions. It was concluded that MIP could be employed as an effective material for the selective removal of Cd(II) ions from waste water. PMID:25158499

  18. New 8-hydroxyquinoline galactosides. The role of the sugar in the antiproliferative activity of copper(II) ionophores.

    PubMed

    Oliveri, Valentina; Viale, Maurizio; Aiello, Cinzia; Vecchio, Graziella

    2014-10-17

    8-Hydroxyquinoline derivatives and their metal complexes have recently awakened interest as promising therapeutic agents in cancer therapy. We have previously synthesized and evaluated glucoconjugated 8-hydroxyquinolines as copper ionophores activated by ?-glucosidases. In order to further evaluate the crucial role of the sugar, we designed and synthesized a series of new galactoconjugates of 8-hydroxyquinolines and investigated their biological properties in comparison with the 8-hydroxyquinoline analogs. The effect of copper(II) ions on their biological activities was evaluated. In particular, two compounds possess a pharmacologically relevant antiproliferative activity against specific tumor cells in the presence of copper(II) ions. Furthermore, the antiproliferative activity of the selected galactosides was successfully investigated in the presence of ?-galactosidase as a preliminary model of antibody directed enzyme prodrug therapy. PMID:25450024

  19. 8-Hydroxyquinolines: a review of their metal chelating properties and medicinal applications

    PubMed Central

    Prachayasittikul, Veda; Prachayasittikul, Supaluk; Ruchirawat, Somsak; Prachayasittikul, Virapong

    2013-01-01

    Metal ions play an important role in biological processes and in metal homeostasis. Metal imbalance is the leading cause for many neurodegenerative diseases such as Alzheimer’s disease, Parkinson’s disease, and multiple sclerosis. 8-Hydroxyquinoline (8HQ) is a small planar molecule with a lipophilic effect and a metal chelating ability. As a result, 8HQ and its derivatives hold medicinal properties such as antineurodegenerative, anticancer, antioxidant, antimicrobial, anti-inflammatory, and antidiabetic activities. Herein, diverse bioactivities of 8HQ and newly synthesized 8HQ-based compounds are discussed together with their mechanisms of actions and structure–activity relationships. PMID:24115839

  20. Synthesis and luminescence properties of polymeric complexes of Cu(II), Zn(II) and Al(III) with 8-hydroxyquinoline side group-containing polystyrene

    NASA Astrophysics Data System (ADS)

    Gao, Baojiao; Wei, Xiaopeng; Zhang, Yanyan

    2013-01-01

    Three kinds of metalloquinolate-containing polystyrene were prepared via a polymer reaction and a coordination reaction. 5-Chloromethyl-8-hydroxyquinoline (CHQ) was first prepared through the chloromethylation reaction of 8-hydroxyquinoline (HQ) with 1,4-bichloromethoxy-butane as chloromethylation reagent. A polymer reaction, Friedel-Crafts alkylation reaction, was carried out between polystyrene (PS) and CHQ in the presence of Lewis catalyst, and HQ was bonded onto the side chains of PS, obtaining 8-hydroxyquinoline-functionalized Polystyrene, HQ-PS. And then, by using one-pot method with two-stage procedures, the coordination reaction of HQ-PS and small molecule HQ with metal ions including Al(III), Zn(II) and Cu(II) ions, was allowed to be carried out, and three polymeric metalloquinolates, AlQ3-PS, ZnQ2-PS and CuQ2-PS, were successfully prepared, respectively. In the chemical structures of these polymeric metalloquinolates, metalloquinolates were chemically attached onto the side chains of PS. HQ-PS and three polymeric metalloquinolates were fully characterized by FTIR, 1H NMR and TGA. The luminescence properties of the three polymeric metalloquinolates were mainly investigated by UV/Vis absorption spectra and fluorescence emission spectra in solutions and in solid film states. When excited by the ray at about 365 nm, the three polymeric metalloquinolates have blue-green luminescence, and the main emission peaks in the DMF solutions are located at 490, 482 and 502 nm for AlQ3-PS, ZnQ2-PS and CuQ2-PS, respectively. As compared with their emissions in solutions, the emissions in solid film states are red-shifted to some extent, and the main emission peaks are located at 500, 488 and 510 nm for AlQ3-PS, ZnQ2-PS and CuQ2-PS, respectively. Besides, these polymeric metalloquinolates have higher thermal stability than PS as polymeric skeleton.

  1. DNA-Binding Interaction Studies of Microwave Assisted Synthesized Sulfonamide Substituted 8-Hydroxyquinoline Derivatives

    PubMed Central

    Dixit, Ritu B.; Patel, Tarosh S.; Vanparia, Satish F.; Kunjadiya, Anju P.; Keharia, Harish R.; Dixit, Bharat C.

    2011-01-01

    Sulfonamide substituted 8-hydroxyquinoline derivatives were prepared using a microwave synthesizer. The interaction of sulfonamide substituted 8-hydroxyquinoline derivatives and their transition metal complexes with Plasmid (pUC 19) DNA and Calf Thymus DNA were investigated by UV spectroscopic studies and gel electrophoresis measurements. The interaction between ligand/metal complexes and DNA was carried out by increasing the concentration of DNA from 0 to 12 μl in UV spectroscopic study, while the concentration of DNA in gel electrophoresis remained constant at 10 μl. These studies supported the fact that, the complex binds to DNA by intercalation via ligand into the base pairs of DNA. The relative binding efficacy of the complexes to DNA was much higher than the binding efficacy of ligands, especially the complex of Cu-AHQMBSH had the highest binding ability to DNA. The mobility of the bands decreased as the concentration of the complex was increased, indicating that there was increase in the interaction between the metal ion and DNA. Complexes of AHQMBSH were excellent for DNA binding as compared to HQMABS. PMID:21773067

  2. Synthesis and third-order optical nonlinearities of nickel complexes of 8-hydroxyquinoline derivatives

    NASA Astrophysics Data System (ADS)

    Qian, Yan; Cai, Minmin; Wang, Shuangqing; Yi, Yuanping; Shuai, Zhigang; Yang, Guoqiang

    2010-05-01

    A nickel complex of 5-(acrylamido)methyl-8-hydroxyquinoline, bis-(5-(acrylamido)methyl-8-hydroxyquinolino) nickel(II) (Ni(AAMQ) 2) has been synthesized and its third-order nonlinear optical properties was investigated with respect to that of bis-(8-hydroxyquinolino) nickel(II) (NiQ 2) by single beam Z-scan technique. The real parts ( γR) of the molecular second-order hyperpolarizabilities were -6.0 × 10 -46 and -5.5 × 10 -46 m 5/v 2 for NiQ 2 and Ni(AAMQ) 2, respectively, indicative of similar nonlinear refraction both in sign and in magnitude. After substitution of an acrylamidomethyl group to the 8-hydroxyquinoline (8-HQ) ligand, the nonlinear absorption coefficient of Ni(AAMQ) 2 was enhanced by more than two times. The corresponding imaginary part ( γI) of the molecular second-order hyperpolarizability was 3.4 × 10 -46 m 5/v 2 for Ni(AAMQ) 2 while 1.6 × 10 -46 m 5/v 2 for NiQ 2. The increase in nonlinear absorption was attributed to the substitution effect and the enhanced transition dipole moment due to the participation of δ-donor group of CH 2 in the molecular conjugation.

  3. Vinyl polymer agglomerate based transition metal cation chelating ion-exchange resin containing the 8-hydroxyquinoline functional group

    SciTech Connect

    Landing, W.M.; Haraldsson, C.; Paxeus, N.

    1986-12-01

    A simple synthetic route has been developed for the immobilization of 8-hydroxyquinoline onto Fractogel TSK, a highly porous, mechanically and chemically stable, hydrophilic organic resin gel. The product exhibits an exchange capacity comparable to the highest values reported for silica-immobilized 8-hydroxyquinoline but is more stable at high pH. The resin's selectivity and efficiency of collection of cationic metal species from freshwater and seawater were investigated. The resin was used in a column sequence to obtain concentration and speciation data for Al, Mn, Fe, Co, Cu, Zn, and Cd in an organic-rich freshwater sample.

  4. Novel acid mono azo dye compound: synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid.

    PubMed

    Samac?, Mustafa; Cavu?, Hatice Kanbur; Ar?, Hatice; Sahingz, Recep; Ozpozan, Talat

    2012-11-01

    Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, (1)H and (13)C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90eV for direct and indirect transitions, respectively. PMID:22750342

  5. Site-specific tagging proteins with a rigid, small and stable transition metal chelator, 8-hydroxyquinoline, for paramagnetic NMR analysis.

    PubMed

    Yang, Yin; Huang, Feng; Huber, Thomas; Su, Xun-Cheng

    2016-02-01

    Design of a paramagnetic metal binding motif in a protein is a valuable way for understanding the function, dynamics and interactions of a protein by paramagnetic NMR spectroscopy. Several strategies have been proposed to site-specifically tag proteins with paramagnetic lanthanide ions. Here we report a simple approach of engineering a transition metal binding motif via site-specific labelling of a protein with 2-vinyl-8-hydroxyquinoline (2V-8HQ). The protein-2V-8HQ adduct forms a stable complex with transition metal ions, Mn(II), Co(II), Ni(II), Cu(II) and Zn(II). The paramagnetic effects generated by these transition metal ions were evaluated by NMR spectroscopy. We show that 2V-8HQ is a rigid and stable transition metal binding tag. The coordination of the metal ion can be assisted by protein sidechains. More importantly, tunable paramagnetic tensors are simply obtained in an ?-helix that possesses solvent exposed residues in positions i and i+3, where i is the residue to be mutated to cysteine, i+3 is Gln or Glu or i-4 is His. The coordination of a sidechain carboxylate/amide or imidazole to cobalt(II) results in different structural geometries, leading to different paramagnetic tensors as shown by experimental data. PMID:26732873

  6. First-Principles study of tris(8-hydroxyquinoline)iron(III) molecules: A promising spin filter material

    NASA Astrophysics Data System (ADS)

    Jiang, Wei; Zhou, Miao; Liu, Zheng; Sun, Dali; Vardeny, Z. Valy; Liu, Feng; Feng Liu's Group Team; Z. Valy. Vardeny's Group Team

    2015-03-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial and meridional tris (8-hydroxyquinoline)iron(III) (Feq3) molecules, solvent-free Feq3 crystals and thin films. Our calculation results show that both Feq3 isomers have a high spin state of 5 ?B as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3 d electrons, in agreement with experiment, while the standard DFT calculations produce a low spin Fe state of 1 ?B. Furthermore, the freestanding Feq3 films are found to be paramagnetic, but become Ferromagnetic (FM) within each layer when deposited on a NiFe substrate. This is induced by a strong anti-ferromagnetic (AFM) coupling between the first molecular layer and FM substrate. Also, an AFM coupling is found between the molecular layers. These findings suggest that Feq3 molecular films may serve as a promising spin filter material in spintronic devices. This work is supported by National Science Foundation-Materials Research, Science & Engineering Center (NSF-MRSEC Grant # DMR-1121252).

  7. New Hg2+-selective chromo- and fluoroionophore based upon 8-hydroxyquinoline.

    PubMed

    Moon, So Youn; Cha, Na Ri; Kim, Young Hee; Chang, Suk-Kyu

    2004-01-01

    A new 8-hydroxyquinoline derivative having an appended boron-dipyrromethene function has been prepared, and its metal ion sensing properties were investigated. The designed compound exhibited pronounced Hg(2+)-selective on-off-type fluoroionophoric properties among the representative transition- and heavy-metal ions in aqueous dioxane solution. The fluorescence was efficiently quenched more than 98% with 5 equiv of Hg(2+) ions, and the detection limit was found to be 5 x 10(-)(6) M in a dioxane-water (1:3, v/v) solvent system. The ionophore also showed a selective chromogenic behavior toward Hg(2+) ions by changing the color of the solution from light amber to red, which can be detected with the naked eye. PMID:14703394

  8. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal dye with hole transfer groups

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoju; Feng, Liheng; Chen, Zhaobin

    2008-12-01

    A novel luminescent dye metal complex, (CZHQ) 3Al, with 8-hydroxyquinoline aluminum and hole-transporting carbazole units was designed and synthesized. The (CZHQ) 3Al optical properties were carefully investigated by UV-vis absorption and fluorescence spectra in diluent solution. The results showed that the luminescent quantum yield of (CZHQ) 3Al was 0.62 in DMSO and it emitted red-light with the band gap of 2.89 eV estimated from the onset absorption. In addition, the light-emission of (CZHQ) 3Al can be quenched by electron acceptor (dimethylterephalate), where the process followed the Stern-Volmer equation. However, the fluorescent intensities of (CZHQ) 3Al were slowly increased with the addition of electron donor ( N, N-dimethylaniline). Furthermore, the molecular interactions of (CZHQ) 3Al with fullerene (C 60) and carbon nanotubes (CNTs) were also respectively investigated, which indicated the metal dye can be used as new fluorescent probe.

  9. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal complex with fluorene units

    NASA Astrophysics Data System (ADS)

    Feng, Liheng; Wang, Xiaoju; Zhao, Sanhu; Chen, Zhaobin

    2007-11-01

    A novel luminescent metal complex, (MQPF) 3Al 2, with 8-hydroxyquinoline aluminum and 9,9-diphenylfluorene was synthesized. The optical properties were investigated by UV-vis absorption and fluorescence emission spectra. The results showed that the luminescence quantum yield of (MQPF) 3Al 2 was 0.612 in THF and it emitted red light with the band gap of 3.18 eV estimated from the onset absorption. The emission spectra exhibited obvious solvent effect. With the increase of polarity of solvents the fluorescence spectra changed obviously and appeared blue shift about 60 nm at room temperature. In addition, the light-emitting can be quenched by both electron donor ( N, N-dimethylaniline) and electron acceptor (Fullerene), where the processes followed the Stern-Volmer equation. However, when adding 1,4-dicyanobenzene (DCB) which was a stronger electron acceptor to the solution of (MQPF) 3Al 2, the fluorescent intensity was increased.

  10. Synthesis of highly luminescent cobalt(ii)-bis(8-hydroxyquinoline) nanosheets as isomeric aromatic amine probes

    NASA Astrophysics Data System (ADS)

    Li, Haibing; Li, Yuling

    2009-09-01

    Highly luminescent and water-soluble cobalt(ii)-bis(8-hydroxyquinoline) (CoQ2) nanosheets have been successfully synthesized via a simple, rapid sonochemical method. The water-soluble CoQ2 nanosheets were characterized by luminescence spectroscopy, UV-vis spectroscopy, FT-IR spectroscopy and transmission electron microscopy (TEM). The CoQ2 nanosheets allow highly sensitive and selective determination of p-nitroaniline via fluorescence quenching. Under optimal conditions, the relative fluorescence intensities of nanosheets decreased linearly with increasing p-nitroaniline. However, the sensitivity of CoQ2 nanosheets toward other aromatic amines including o-diaminobenzene, m-diaminobenzene, p-diaminobenzene, p-toluidine, o-nitroaniline, m-nitroaniline, p-chloroaniline and aniline is negligible. It is found that p-nitroaniline can quench the luminescence of CoQ2 nanosheets in a concentration-dependent manner that is best described by a Stern-Volmer-type equation. The possible underlying mechanism is discussed.Highly luminescent and water-soluble cobalt(ii)-bis(8-hydroxyquinoline) (CoQ2) nanosheets have been successfully synthesized via a simple, rapid sonochemical method. The water-soluble CoQ2 nanosheets were characterized by luminescence spectroscopy, UV-vis spectroscopy, FT-IR spectroscopy and transmission electron microscopy (TEM). The CoQ2 nanosheets allow highly sensitive and selective determination of p-nitroaniline via fluorescence quenching. Under optimal conditions, the relative fluorescence intensities of nanosheets decreased linearly with increasing p-nitroaniline. However, the sensitivity of CoQ2 nanosheets toward other aromatic amines including o-diaminobenzene, m-diaminobenzene, p-diaminobenzene, p-toluidine, o-nitroaniline, m-nitroaniline, p-chloroaniline and aniline is negligible. It is found that p-nitroaniline can quench the luminescence of CoQ2 nanosheets in a concentration-dependent manner that is best described by a Stern-Volmer-type equation. The possible underlying mechanism is discussed. Electronic supplementary information (ESI) available: XRD pattern of the CoQ2 nanosheets, the UV-vis absorption spectra and fluorescence spectra of ligand Q, CoQ2 and CoQ2 nanosheets. See DOI: 10.1039/b9nr00019d

  11. Interaction of 8-Hydroxyquinoline with Soil Environment Mediates Its Ecological Function

    PubMed Central

    Inderjit; Bajpai, Devika; Rajeswari, M. S.

    2010-01-01

    Background Allelopathic functions of plant-released chemicals are often studied through growth bioassays assuming that these chemicals will directly impact plant growth. This overlooks the role of soil factors in mediating allelopathic activities of chemicals, particularly non-volatiles. Here we examined the allelopathic potential of 8-hydroxyquinoline (HQ), a chemical reported to be exuded from the roots of Centaurea diffusa. Methodology/Principal Findings Growth bioassays and HQ recovery experiments were performed in HQ-treated soils (non-sterile, sterile, organic matter-enriched and glucose-amended) and untreated control soil. Root growth of either Brassica campestris or Phalaris minor was not affected in HQ-treated non-sterile soil. Soil modifications (organic matter and glucose amendments) could not enhance the recovery of HQ in soil, which further supports the observation that HQ is not likely to be an allelopathic compound. Hydroxyquinoline-treated soil had lower values for the CO2 release compared to untreated non-sterile soil. Soil sterilization significantly influenced the organic matter content, PO4-P and total organic nitrogen levels. Conclusion/Significance Here, we concluded that evaluation of the effect of a chemical on plant growth is not enough in evaluating the ecological role of a chemical in plant-plant interactions. Interaction of the chemical with soil factors largely determines the impact of HQ on plant growth. PMID:20877629

  12. Fluoride ion detection by 8-hydroxyquinoline-Zr(IV)-EDTA complex

    NASA Astrophysics Data System (ADS)

    Sathish, R. Sai; Sujith, U.; Rao, G. Nageswara; Janardhana, C.

    2006-11-01

    A simple fluorescent detection based on the ligand exchange mechanism is proposed for the fluoride ion in aqueous media. This procedure is based on the exchange of 8-hydroxyquinoline (oxine) coordinated to Zr(IV) by fluoride ion without interference from other common anions. The ternary complex of oxine with [Zr(H 2O) 2EDTA]·2H 2O formed by replacing two water molecules in aqueous solution provides a sensitive signalling system for fluoride ion in the concentration range from 6 × 10 -7 M to 8 × 10 -4 M. The green fluorescence ( λmax = 532 nm) exhibited by the complex upon excitation at 247 nm decreases in intensity with fluoride addition with a detection limit of 12 ppb. The complexation reaction between oxine and Zr(IV)-EDTA and the ligand exchange reaction with fluoride ion has been investigated by UV-vis and fluorescence spectroscopies combined with the PM3 semi-empirical quantum chemical calculations. Job's method of continuous variation and the molar ratio method ascertain a 1:1 stoichiometry composition of the chelate in aqueous media.

  13. Novel Fluorinated 8-Hydroxyquinoline Based Metal Ionophores for Exploring the Metal Hypothesis of Alzheimer's Disease.

    PubMed

    Liang, Steven H; Southon, Adam G; Fraser, Benjamin H; Krause-Heuer, Anwen M; Zhang, Bo; Shoup, Timothy M; Lewis, Rebecca; Volitakis, Irene; Han, Yifeng; Greguric, Ivan; Bush, Ashley I; Vasdev, Neil

    2015-09-10

    Zinc, copper, and iron ions are involved in amyloid-beta (A?) deposition and stabilization in Alzheimer's disease (AD). Consequently, metal binding agents that prevent metal-A? interaction and lead to the dissolution of A? deposits have become well sought therapeutic and diagnostic targets. However, direct intervention between diseases and metal abnormalities has been challenging and is partially attributed to the lack of a suitable agent to determine and modify metal concentration and distribution in vivo. In the search of metal ionophores, we have identified several promising chemical entities by strategic fluorination of 8-hydroxyquinoline drugs, clioquinol, and PBT2. Compounds 15-17 and 28-30 showed exceptional metal ionophore ability (6-40-fold increase of copper uptake and >2-fold increase of zinc uptake) and inhibition of zinc induced A? oligomerization (EC50s < ?5 ?M). These compounds are suitable for further development as drug candidates and/or positron emission tomography (PET) biomarkers if radiolabeled with (18)F. PMID:26396692

  14. DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface.

    PubMed

    Chiter, Fatah; Lacaze-Dufaure, Corinne; Tang, Hao; Pbre, Nadine

    2015-09-14

    The 8-hydroxyquinoline (8-HQ) molecule is an efficient corrosion inhibitor for aluminum and is also used in organic electronic devices. In this paper, the adsorption modes of 8-HQ and its derivatives (tautomer, dehydrogenated and hydrogenated species) on the Al(111) surface are characterized using dispersion corrected density functional theory calculations. The 8-HQ molecule is physisorbed and is chemisorbed on the aluminum surface with similar adsorption energy (-0.86 eV to -1.11 eV) and these adsorption modes are stabilized by vdW interactions. The binding of the dehydrogenated species is the strongest one (adsorption energy of -3.27 eV to -3.45 eV), followed by the tautomer molecule (-2.16 eV to -2.39 eV) and the hydrogenated molecule (-1.71 eV) that bind weaker. In all the chemisorbed configurations there is a strong electronic transfer from the Al substrate to the adsorbate (0.72 e to 2.16 e). The adsorbate is strongly distorted and its deformation energy is high (0.55 eV to 2.77 eV). The analysis of the projected density of states onto the orbitals of the molecule and the electronic density variation upon adsorption (??) between the molecule and the surface account for covalent bonding. PMID:26243038

  15. Investigation of aromatase inhibitory activity of metal complexes of 8-hydroxyquinoline and uracil derivatives

    PubMed Central

    Prachayasittikul, Veda; Pingaew, Ratchanok; Nantasenamat, Chanin; Prachayasittikul, Supaluk; Ruchirawat, Somsak; Prachayasittikul, Virapong

    2014-01-01

    Purpose Estrogens play important roles in the pathogenesis and progression of breast cancer as well as estrogen-related diseases. Aromatase is a key enzyme in the rate-limiting step of estrogen production, in which its inhibition is one strategy for controlling estrogen levels to improve prognosis of estrogen-related cancers and diseases. Herein, a series of metal (Mn, Cu, and Ni) complexes of 8-hydroxyquinoline (8HQ) and uracil derivatives (49) were investigated for their aromatase inhibitory and cytotoxic activities. Methods The aromatase inhibition assay was performed according to a Gentest kit using CYP19 enzyme, wherein ketoconazole and letrozole were used as reference drugs. The cytotoxicity was tested on normal embryonic lung cells (MRC-5) using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Results Only Cu complexes (6 and 9) exhibited aromatase inhibitory effect with IC50 0.30 and 1.7 ?M, respectively. Cytotoxicity test against MRC-5 cells showed that Mn and Cu complexes (5 and 6), as well as free ligand 8HQ, exhibited activity with IC50 range 0.746.27 ?M. Conclusion Cu complexes (6 and 9) were found to act as a novel class of aromatase inhibitor. Our findings suggest that these 8HQCuuracil complexes are promising agents that could be potentially developed as a selective anticancer agent for breast cancer and other estrogen-related diseases. PMID:25152615

  16. Fluorescent complexes of nucleic acids/8-hydroxyquinoline/lanthanum(III) and the fluorometry of nucleic acids

    SciTech Connect

    Cheng Zhi Huang; Ke An Li; Shen Yang Tong

    1996-07-01

    The ternary fluorescent complexes of nucleic acids/8-hydroxyquinoline/lanthanum (III) were studied. Nucleic acids in the study involve natured and thermally denatured calf thymus DNA, fish sperm DNA and yeast RNA. In the range of PH 8.0-8.4 (controlled by NH{sub 3}-NH{sub 4}Cl buffer) ternary fluorescent complexes are formed which emit at 485.0 nm for calf thymus DNA and at 480.0 nm for fish sperm DNA when excited at 265.0 nm. Based on the fluorescence reactions sensitive fluorometric methods for nucleic acids were proposed. Using optimal conditions, the calibration curves were linear in the range of 0.4 --3.6 {mu}g{sup .}ml{sup -1} for calf thymus DNA, 0.4 -- 4.0 {mu}g{sup .}ml{sup -1} for fish sperm DNA and 0.4 --4.0{mu}g{sup .}ml{sup -1} for yeast RNA, respectively. Five synthetic samples were determined with satisfaction.

  17. Energy transfer ultraviolet photodetector with 8-hydroxyquinoline derivative-metal complexes as acceptors

    NASA Astrophysics Data System (ADS)

    Wu, Shuang-Hong; Li, Wen-Lian; Chen, Zhi; Li, Shi-Bin; Wang, Xiao-Hui; Wei, Xiong-Bang

    2015-02-01

    We choose 8-hydroxyquinoline derivative-metal complexes (Beq, Mgq, and Znq) as the acceptors (A) and 4,4',4-tri-(2-methylphenyl phenylamino) triphenylaine (m-MTDATA) as the donor (D) respectively to study the existing energy transfer process in the organic ultraviolet (UV) photodetector (PD), which has an important influence on the sensitivity of PDs. The energy transfer process from D to A without exciplex formation is discussed, differing from the working mechanism of previous PDs with Gaq [Zisheng Su, Wenlian Li, Bei Chu, Tianle Li, Jianzhuo Zhu, Guang Zhang, Fei Yan, Xiao Li, Yiren Chen and Chun-Sing Lee 2008 Appl. Phys. Lett. 93 103309)] and REq [J. B. Wang, W. L. Li, B. Chu, L. L. Chen, G. Zhang, Z. S. Su, Y. R. Chen, D. F. Yang, J. Z. Zhu, S. H. Wu, F. Yan, H. H. Liu, C. S. Lee 2010 Org. Electron. 11 1301] used as an A material. Under 365-nm UV irradiation with an intensity of 1.2 mW/cm2, the m-MTDATA:Beq blend device with a weight ratio of 1:1 shows a response of 192 mA/W with a detectivity of 6.5 1011 Jones, which exceeds those of PDs based on Mgq (146 mA/W) and Znq (182 mA/W) due to better energy level alignment between m-MTDATA/Beq and lower radiative decay. More photophysics processes of the PDs involved are discussed in detail. Project supported by the National Natural Science Foundation of China (Grant Nos. 61371046, 61405026, 61474016, and 61421002) and China Postdoctoral Science Foundation (Grant No. 2014M552330).

  18. TAME5OX, abiotic siderophore analogue to enterobactin involving 8-hydroxyquinoline subunits: Thermodynamic and photophysical studies

    NASA Astrophysics Data System (ADS)

    Akbar, Rifat; Baral, Minati; Kanungo, B. K.

    2015-05-01

    The synthesis, thermodynamic and photophysical properties of trivalent metal complexes of biomimetic nonadentate analogue, 5,5‧-(2-(((8-hydroxyquinolin-5-yl)methylamino)methyl)-2-methylpropane-1,3-diyl)bis(azanediyl)bis(methylene)diquinolin-8-ol (TAME5OX), have been described. Combination of absorption and emission spectrophotometry, potentiometry, electrospray mass spectrometry, IR, and theoretical investigation were used to fully characterize metal (Fe+3, Al+3 and Cr+3) chelates of TAME5OX. In solution, TAME5OX forms protonated complexes [M(H3L)]3+ below pH 3.4, which consecutively deprotonates through one to three-proton processes with rise of pH. The formation constants (Log β11n) of neutral complexes formed at or above physiological pH, have been determined to be 30.18, 23.27 and 22.02 with pM values of 31.16, 18.07 and 18.12 for Fe+3, Al+3 and Cr+3 ions, respectively, calculated at pH 7.4, indicating TAME5OX is a powerful among synthetic metal chelator. The results clearly demonstrate that the ligand in a tripodal orchestration firmly binds these ions over wide pH range and forms distorted octahedral complexes. The binding and the coordination event could be monitored from absorption and fluorescence spectroscopy. The high thermodynamic stability in water at physiological pH of ferric complex of TAME5OX indicates that these complexes are resistant to hydrolysis and therefore are well suited for the development of device for applications as probes. The ligand displays high sensitive fluorescence enhancement to Al3+ at pH 7.4, in water. Moreover, TAME5OX can distinguish Al3+ from Fe3+ and Cr3+ via two different sensing mechanisms: photoinduced electron transfer (PET) for Al3+ and internal charge transfer (ICT) for Fe3+ and Cr3+. Density functional theory was employed for optimization and evaluation of vibrational modes, NBO analysis, excitation and emission properties of the different species of metal complexes observed by solution studies.

  19. Comparative solution equilibrium studies of anticancer gallium(III) complexes of 8-hydroxyquinoline and hydroxy(thio)pyrone ligands.

    PubMed

    Enyedy, Éva A; Dömötör, Orsolya; Varga, Erika; Kiss, Tamás; Trondl, Robert; Hartinger, Christian G; Keppler, Bernhard K

    2012-12-01

    The stoichiometry and stability constants of the Ga(III) complexes of 8-hydroxyquinoline (HQ), 8-hydroxyquinoline-5-sulfonate (HQS), maltol, thiomaltol, allomaltol and thioallomaltol were determined by means of pH-potentiometry, UV-vis spectrophotometry, spectrofluorometry and (1)H NMR spectroscopy in aqueous solution. Spectrofluorometry was used to determine the stability constants of the Ga(III)-HQ species in water. Formation of [GaL](2+), [GaL(2)](+) and [GaL(3)] complexes was found and the Ga(III) binding ability of the ligands followed the order: thioallomaltol

  20. Synthesis and electroluminescence properties of a new aluminium complex [5-choloro-8-hydroxyquinoline] bis [2,2'bipyridine] Aluminium Al(Bpy)2(5-Clq)

    NASA Astrophysics Data System (ADS)

    Kumar, Rahul; Bhargava, Parag; Srivastava, Ritu; Singh, Punita

    2015-11-01

    We have synthesized a new aluminium complex, [5-choloro-8-hydroxyquinoline] bis[2,2'bipyridine] Aluminium Al(Bpy)2(5-Clq) and characterized it for structural, thermal and photoluminescence properties. The prepared material was characterized by Fourier -transformed infra-red spectroscopy (FTIR), thermal gravimetric analysis (TGA) and photoluminescence. The prepared material showed thermal stability up to 240 °C. The photoluminescence spectrum of Al(Bpy)2(5-Clq) in toluene solution showed peak at 515 nm. This material was used as an emissive layer in organic light emitting diodes (OLEDs). The fundamental structure of device is ITO/F4-TCNQ(1 nm)/α-NPD(35 nm)/Al(Bpy)2(5-Clq) (35 nm)/BCP(6 nm)/Alq3(28 nm)/LiF(1 nm)/Al(150 nm). The device emits an yellowish green light (CIE coordinates, x = 0.32, y = 0.52) with maximum luminescence 314 Cd/m2 at 18 V. The maximum current efficiency of OLED was 0.09 Cd/A and maximum power efficiency was 0.03 lm/W at 9 V respectively.

  1. In vivo schistosomicidal activity of three novels 8-hydroxyquinoline derivatives against adult and immature worms of Schistosoma mansoni.

    PubMed

    Allam, Gamal; Eweas, Ahmad F; Abuelsaad, Abdelaziz S A

    2013-09-01

    Schistosomiasis control is widely dependent on a single drug, praziquantel (PZQ). The potential for development of resistance to PZQ has justified the search for new alternative chemotherapies. In a previous study, we have been reported that three of 8-hydroxyquinoline derivatives namely: 3-((8-hydroxyquinolin-5-yl) sulfonyl) pentane-2,4-dione (HQSP), 5-((2,4-diphenyl-3H-benzo[b][1,4]diazepin-3-yl) sulfonyl) quinolin-8-ol (HQBD), and 5-((2,4-diphenyl-3H-pyrido[3,4-b][1,4] diazepin-3-yl) sulfonyl) quinolin-8-ol (HQPD) possess a potent anti-schistosomal activity in vitro. The aim of the present study was to evaluate the in vivo schistosomicidal effect of these three compounds on adult and immature worms of Schistosoma mansoni and their induced pathology. Treatment of S. mansoni-infected mice with 1000, 250, 150, and 200 mg/kg body weight of PZQ, HQSP, HQBD, and HQPD, respectively, reduced adult and immature worm burden by 94.63 and 31.32%, 73.63 and 5.45%, 76.5 and 28.11%, and 81.25 and 56.84%, respectively, compared to infected untreated mice. Moreover, numbers of egg per gram liver and intestine were decreased by 84 and 95.51%, 47.84 and 46.28 %, 53.18 and 59.37 %, and 54.22 and 67.26 as a result of PZQ, HQSP, HQBD, and HQPD treatment, respectively. Hepatic granuloma volume was also reduced by 40.10, 42.96, 35.72, and 72.09% due to PZQ, HQSP, HQBD, and HQPD treatment, respectively. In addition, hepatic histopathological alterations and collagen fiber deposition that accompanied with S. mansoni infection were largely retrieved with different treatments, especially HQPD treatment. Furthermore, humoral immune response, especially IgG response against S. mansoni antigens, was augmented with different treatments. This study concluded that among the three tested 8-hydroxyquinoline derivatives, HQPD is the most effective compound against adult and pre-mature worms of S. mansoni and can be used for the development of a new schistosomicidal drug. PMID:23793335

  2. Synthesis and electroluminescence characterization of a new aluminum complex, [8-hydroxyquinoline] bis [2, 2'bipyridine] aluminum Al(Bpy)2q

    NASA Astrophysics Data System (ADS)

    Rahul, Kumar; Ritu, Srivastava; Punita, Singh

    2016-01-01

    We have synthesized and characterized a new electroluminescent material, [8-hydroxyquinoline] bis [2,2'bipyridine] aluminum. A solution of this material Al(Bpy)2q in toluene showed absorption maxima at 380 nm, which was attributed to the moderate energy (??*) transitions of the aromatic rings. The photoluminescence spectrum of Al(Bpy)2q in the toluene solution showed a peak at 518 nm. This material shows thermal stability up to 300 C. The structure of the device is ITO/F4-TCNQ (1 nm)/?-NPD (35 nm)/Al(Bpy)2q (35 nm)/ BCP (6 nm)/Alq3 (28 nm)/LiF (1 nm)/Al (150 nm). This device exhibited a luminescence peak at 515 nm (CIE coordinates, x = 0.32, y = 0.49). The maximum luminescence of the device was 214 cd/m2 at 21 V. The maximum current efficiency of OLED was 0.12 cd/A at 13 V and the maximum power efficiency was 0.03 lm/W at 10 V.

  3. White light emission from Mn2 + doped ZnS nanocrystals through the surface chelating of 8-hydroxyquinoline-5-sulfonic acid

    NASA Astrophysics Data System (ADS)

    L, Xiaodan; Yang, Jing; Fu, Yuqin; Liu, Qianqian; Qi, Bin; L, Changli; Su, Zhongmin

    2010-03-01

    White light emitting semiconductor nanocrystals (NCs) have been successfully synthesized from 8-hydroxyquinoline-5-sulfonic acid (HQS) decorated manganese doped ZnS NCs through fine tuning the surface-coordination emission and dopant emission of the NC host. The HQS functionalized manganese doped ZnS NCs (QS-ZnS:Mn), with a cubic crystal structure, have the same diameter of about 4.0 nm as ZnS:Mn NCs without HQS. The intensity of the surface-coordination emission peak increased with increasing HQS content or augmenting excited wavelength. The emission of white light was achieved by carefully controlling the dosage of HQS in NCs and appropriately tuning the excited wavelength. The color coordinates (0.35, 0.34) for the efficient white light emitting NCs were very close to the ideal Commission Internationale de l'Eclairage (CIE) chromaticity coordinates for pure white light (0.33, 0.33). The photoluminescence (PL) decay study revealed that the white light emitting NCs exhibited maximum lifetime values at different emission peaks for different NC samples. The study results also indicated that the HQS molecules were attached to the surface of ZnS:Mn NCs in a single coordination fashion due to the steric hindrance effect of the special spherical surface of NCs, which made the QS-ZnS:Mn NCs possess stable and high fluorescent properties in different organic solvents as compared with the conventional small molecule complexes.

  4. White light emission from Mn2 + doped ZnS nanocrystals through the surface chelating of 8-hydroxyquinoline-5-sulfonic acid.

    PubMed

    L, Xiaodan; Yang, Jing; Fu, Yuqin; Liu, Qianqian; Qi, Bin; L, Changli; Su, Zhongmin

    2010-03-19

    White light emitting semiconductor nanocrystals (NCs) have been successfully synthesized from 8-hydroxyquinoline-5-sulfonic acid (HQS) decorated manganese doped ZnS NCs through fine tuning the surface-coordination emission and dopant emission of the NC host. The HQS functionalized manganese doped ZnS NCs (QS-ZnS:Mn), with a cubic crystal structure, have the same diameter of about 4.0 nm as ZnS:Mn NCs without HQS. The intensity of the surface-coordination emission peak increased with increasing HQS content or augmenting excited wavelength. The emission of white light was achieved by carefully controlling the dosage of HQS in NCs and appropriately tuning the excited wavelength. The color coordinates (0.35, 0.34) for the efficient white light emitting NCs were very close to the ideal Commission Internationale de l'Eclairage (CIE) chromaticity coordinates for pure white light (0.33, 0.33). The photoluminescence (PL) decay study revealed that the white light emitting NCs exhibited maximum lifetime values at different emission peaks for different NC samples. The study results also indicated that the HQS molecules were attached to the surface of ZnS:Mn NCs in a single coordination fashion due to the steric hindrance effect of the special spherical surface of NCs, which made the QS-ZnS:Mn NCs possess stable and high fluorescent properties in different organic solvents as compared with the conventional small molecule complexes. PMID:20173244

  5. A novel decanuclear Co(II) cluster with adamantane-like metallic skeleton supported by 8-hydroxyquinoline and in situ formed CO3(2-) anions.

    PubMed

    Wang, Lei; Li, Yi; Peng, Yu; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren

    2012-05-28

    A novel decanuclear Co(II) cluster, [Co(10)(Q)(12)(?(6)-CO(3))(4)]2.5DMF (1) (Q = 8-hydroxyquinoline), has been synthesized under solvothermal conditions and characterized by powder XRD, TGA and IR spectroscopy. Single-crystal X-ray diffraction analysis shows that 1 represents a new type of decanuclear cobalt cluster with an approximate supertruncated tetrahedral shape coordinated with coexisted Q ligands and in situ formed ?(6)-bridging CO(3)(2-) anions. Meanwhile, 1 is the largest aggregate in metal-Q coordination chemistry. Another distinguishing feature of 1 is the adamantane-like metallic skeleton with point symbol {6(3)}(2){6}(3), which is observed in the polynuclear metal complexes for the first time. Furthermore, it is considered that the in situ formed CO(3)(2-) anions have a crucial effect on the formation of the resultant unexpected polynuclear structures. The magnetic studies show that antiferromagnetic (AF) interactions exist within 1. PMID:22499350

  6. In situ monitoring of thermal crystallization of ultrathin tris(8-hydroxyquinoline) aluminum films using surface-enhanced Raman scattering.

    PubMed

    Muraki, Naoki

    2014-01-01

    Thermal crystallization of 3, 10, and 60 nm-thick tris(8-hydroxyquinoline)aluminum (Alq3) films is studied using surface-enhanced Raman scattering with a constant heating rate. An abrupt higher frequency shift of the quinoline-stretching mode is found to be an indication of a phase transition of Alq3 molecules from amorphous to crystalline. While the 60 nm-thick film shows the same crystallization temperature as a bulk sample, the thinner films were found to have a lower crystallization temperature and slower rate of crystallization. Non-isothermal kinetics analysis is performed to quantify kinetic properties such as the Avrami exponent constants and crystallization rates of ultrathin Alq3 films. PMID:24405952

  7. Interface modification of 8-hydroxyquinoline aluminium with combined effects in quasi-solid dye-sensitized solar cells.

    PubMed

    Gao, Rui; Niu, Guangda; Wang, Liduo; Geng, Yi; Ma, Beibei; Zhu, Yifeng; Dong, Haopeng; Qiu, Yong

    2012-05-01

    In this paper, 8-hydroxyquinoline aluminium (Alq(3)) was used in interface modification of dye-sensitized solar cells (DSCs). Alq(3) was the first discovered interface modification material with combined effects of retarding charge recombination and Frster resonant energy transfer (FRET). Results of dark current curve and AC impedance showed that Alq(3) could retard charge recombination in DSCs. I-V curves showed that conversion efficiency increased with Alq(3) modification. Besides the interface modification effect, it was discovered that Alq(3) also acted as energy relay dye with the FRET effect between itself and N3, which increased photoresponse and electron injection. The application of Alq(3) with combined effects opened a new door to explore more novel multi-functional interface modification materials to improve the performance of DSCs. PMID:22441558

  8. Synthesis and photophysics of novel 8-hydroxyquinoline aluminum metal complex with 1,3,4-oxadiazole units

    NASA Astrophysics Data System (ADS)

    Feng, Liheng; Wang, Xiaoju; Chen, Zhaobin

    2008-11-01

    A novel luminescent metal complex, (OXHQ) 3Al, with 8-hydroxyquinoline aluminum and electron-transporting 1,3,4-oxadiazole unit was designed and synthesized. The photophysical processes were investigated by UV-vis absorption and fluorescence emission spectra in diluent solution. The results showed that the luminescence quantum yield of (OXHQ) 3Al was 0.67 in DMSO and it emitted blue light with the band gap of 3.13 eV estimated from the onset absorption. In addition, the light-emitting of (OXHQ) 3Al can be quenched by electron acceptor (dimethylterephalate), where the processes followed the Stern-Volmer equation. However, with the addition of electron donor ( N, N-dimethylaniline) fluorescent intensity of (OXHQ) 3Al was increased and emission peak was lightly blue-shift. Furthermore, the molecular interactions of (OXHQ) 3Al with fullerene (C 60) or carbon nanotubes (CNTs) were also carefully investigated.

  9. Selective detection of 2,4,6-trinitrophenol based on a fluorescent nanoscale bis(8-hydroxyquinoline) metal complex.

    PubMed

    Lv, Xiao-Jun; Qi, Liang; Gao, Xiang-Yu; Wang, Huan; Huo, Yuan; Zhang, Zhi-Qi

    2016-04-01

    The reliable and accurate detection of explosives such as 2,4,6-trinitrophenol (TNP) and 2,4,6-trinitrotoluene (TNT) is in high demand for homeland security and public safety. Although extremely high sensitivity towards TNT has been demonstrated, detection of TNP remains a challenge. In this work, a fluorescent nanoscale complex composed of bis(8-hydroxyquinoline) and Al(3+) ions has been prepared, characterized and applied in detection of TNP. This complex exhibits the ability to sense the nitro explosive TNP via a fluorescence quenching mechanism with high selectivity. A simple paper test system for the rapid monitoring of TNP was also investigated. The results show that Bhq-Al is a quite ideal sensing material for trace-level detection of TNP. PMID:26838414

  10. An Introduction to Multivariate Curve Resolution-Alternating Least Squares: Spectrophotometric Study of the Acid-Base Equilibria of 8-Hydroxyquinoline-5-Sulfonic Acid

    ERIC Educational Resources Information Center

    Rodriguez-Rodriguez, Cristina; Amigo, Jose Manuel; Coello, Jordi; Maspoch, Santiago

    2007-01-01

    A spectrophotometric study of the acid-base equilibria of 8-hydroxyquinoline-5-sulfonic acid to describe the multivariate curve resolution-alternating least squares algorithm (MCR-ALS) is described. The algorithm provides a lot of information and hence is of great importance for the chemometrics research.

  11. Enzymatic synthesis of (125/131)I labeled 8-hydroxyquinoline glucuronide and in vitro/in vivo evaluation of biological influence.

    PubMed

    Ye?ila?a, Reyhan; nak, Perihan; Medine, E ?lker; ?hedef, i?dem A; Ertay, Turkan; Mftler, F Z Biber

    2011-02-01

    8-Hydroxyquinoline (8-OHQ) is a long-known molecule which due to its metal-complexation ability is frequently used for analysis. It is also called oxine. Oxine and derivatives have been investigated to process antitumor and antimicrobial activities. 8-Hydroxyquinolyl-glucuronide (8-OHQ-Glu) was enzymatically synthesized using microsome preparates separated from Hutu-80 cells, labeled with (125)I to perform a radionuclide labeled prodrug and investigated of its biological affinities on Hutu-80 (human duodenum intestinal adenocarcinoma), Caco-2 (human colorectal adenocarcinoma), Detroit 562 (human pharynx adenocarcinoma) cells and ACBRI 519 (primary human small intestine epithelial cells) in this work. UDP-glucuronyl transferase (UDPGT) rich microsome preparates, which are used for glucuronidation in enzymatic synthesis, were extracted from Hutu-80 cells. 8-OHQ-Glu components were labeled using iodogen method with (125)I and (131)I. Structural analyses were performed with LC/MS/MS, (1)H NMR and (13)C-MMR for identify and measure chemical constituents. Results confirmed expected molecular structure. 8-OHQ-Glu could successfully radioiodinated with (125/131)I according to iodogen method. (125)I-8-OHQ-glucuronide incorporated with human gastrointestinal cancer cells such as Detroit-562 (human pharynx adenocarcinoma) (12.6%), Caco-2 (human colorectal adenocarcinoma) (7.8%), Hutu- 80 (human duodenum intestinal adenocarcinoma) (9.5%) and ACBRI 519 (primary human small intestine epithelial cells) (6.40%). (131)I-8-OHQ-Glu was tested in mice bearing subcutaneously implanted Caco-2 colorectal adenocarcinoma cells. The results demonstrated that radioiodinated 8-OHQ-Glu may be promising anticancer prodrug. PMID:21109446

  12. Development of a Direct and Continuous Phospholipase D Assay Based on the Chelation-Enhanced Fluorescence Property of 8-Hydroxyquinoline.

    PubMed

    Rahier, Renaud; Noiriel, Alexandre; Abousalham, Abdelkarim

    2016-01-01

    Through its production of phosphatidic acid (PA), phospholipase D (PLD) is strongly involved in vesicular trafficking and cell signaling, making this enzyme an important therapeutic target. However, most PLD assays developed so far are either discontinuous or based on the indirect determination of choline released during PLD-catalyzed phosphatidylcholine hydrolysis, making its kinetic characterization difficult. We present here the development of a direct, specific, and continuous PLD assay that is based on the chelation-enhanced fluorescence property of 8-hydroxyquinoline (8HQ) following Ca(2+) complexation with PLD-generated PA. The real-time fluorescence intensity from 8HQ/Ca(2+)/PA complexes can be converted to concentrations of product using a calibration curve, with a detection limit of 1.2 ?M of PA on a microplate scale, thus allowing measurement of the PLD-catalyzed reaction rate parameters. Hence, this assay is well adapted for studying the substrate specificity of PLD, together with its kinetic parameters, using natural phospholipids with various headgroups. In addition, the assay was found to be effective in monitoring the competitive inhibition of PA formation in the production of phosphatidylalcohols following the addition of primary alcohols, such as ethanol, propan-1-ol, or butan-1-ol. Finally, this assay was validated using the purified recombinant Vigna unguiculata PLD, as well as the PLD from Streptomyces chromofuscus, cabbage, or peanuts, and no PA production could be detected using phospholipase A1, phospholipase A2, or phospholipase C, allowing for a reliable determination of PLD activity in crude protein extract samples. This easy to handle PLD assay constitutes, to our knowledge, the first direct and continuous PA determination method on a microplate scale. PMID:26636829

  13. Determination of aluminium with 8-hydroxyquinoline-5-sulfonic acid in presence of a cationic surfactant by first and second derivative synchronous fluorimetry

    SciTech Connect

    Salinas, F.; de la Pena, A.; Duran, M.S.

    1988-08-01

    An analytical method has been developed for the fluorimetric determination of nanogram amounts of aluminium in solution. The method is based on the reaction of aluminium with 8-hydroxyquinoline-5-sulfonic acid presence of hexadeciltrimethylammonium bromide as a surfactant agent. Synchronous scanned first and second derivative fluorimetry has been employed to increase the sensitivity of the method. The influence of reaction variables as well as instrumental parameters is discussed. The interference of various foreign ions has also been examined and in some cases eliminated or reduced by addition of 1,10-phenanthroline.

  14. Nitroxoline (5-amino-8-hydroxyquinoline) is more a potent anti-cancer agent than clioquinol (5-chloro-7-iodo-8-quinoline)

    PubMed Central

    Jiang, Hongchao; Taggart, Jori E.; Zhang, Xiaoxi; Benbrook, Doris M.; Lind, Stuart E.; Ding, Wei-Qun

    2012-01-01

    Clioquinol has been shown to have anticancer activity both in vitro and in vivo. The present study compared the cytotoxicity of clioquinol with six analogues, using human cancer cell lines. Of the analogues tested, 8-hydroxy-5-nitroquinoline (NQ) was the most toxic, with an IC50 that was 5-10 fold lower than other congeners. Its activity was enhanced by copper, but not zinc, and the use of a zinc-sensitive fluorophore showed that unlike clioquinol, NQ is not a zinc ionophore. NQ increased intracellular reactive oxygen species generation, an effect that was significantly enhanced by the addition of copper at levels that approximate those found in human plasma. NQ has been used in humans for the treatment of urinary infections. NQ is an 8-hydroxyquinoline derivative that is more potent than the halogenated 8-hydroxyquinolines, and may be less neurotoxic because it lacks zinc ionophore activity. NQ is another clinical used anti-microbial agent whose properties suggest that it may be useful in treating cancer. PMID:21899946

  15. Solid Phase Extraction of Inorganic Mercury Using 5-Phenylazo-8-hydroxyquinoline and Determination by Cold Vapor Atomic Fluorescence Spectroscopy in Natural Water Samples

    PubMed Central

    Daye, Mirna; Halwani, Jalal; Hamzeh, Mariam

    2013-01-01

    8-Hydroxyquinoline (8-HQ) was chosen as a powerful ligand for Hg solid phase extraction. Among several chelating resins based on 8-HQ, 5-phenylazo-8-hydroxyquinoline (5Ph8HQ) is used for mercury extraction in which the adsorption dynamics were fully studied. It has been shown that Hg(II) is totally absorbed by 5Ph8HQ within the first 30 minutes of contact time with t1/2 5 minutes, following Langmuir adsorption model. At pH 4, the affinity of mercury is unchallenged by other metals except, for Cu(II), which have shown higher Kd value. With these latter characteristics, 5Ph8HQ was examined for the preconcentration of trace levels of Hg(II). The developed method showed quantitative recoveries of Hg(II) with LOD = 0.21?pg?mL?1 and RSD = 36% using cold vapor atomic fluorescence spectroscopy (CV-AFS) with a preconcentration factor greater than 250. PMID:24459417

  16. Theoretical study on the effects of nitrogen and methyl substitution on tris-(8-hydroxyquinoline) aluminum: An efficient exciton blocking layer for organic photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Lee, Hyunbok; Jeong, Kwangho; Cho, Sang Wan; Yi, Yeonjin

    2012-07-01

    We studied the effect of nitrogen and methyl substitution on tris-(8-hydroxyquinoline) aluminum (Alq3) with density functional theory, which has been adopted as an exciton blocking layer (EBL) in organic photovoltaic cells (OPVCs). The substitution of electron withdrawing nitrogen on the phenoxide moiety of Alq3 lowers the highest molecular orbital (HOMO) level, thus photogenerated excitons can be effectively blocked in OPVC. Additional substitution of methyl on the pyridine moiety makes that Alq3 has a smaller electron reorganization energy, which results in higher electron mobility with keeping HOMO level almost intact. Therefore, nitrogen and methyl simultaneous substitution shows high performance both in exciton blocking and electron mobility. This is the origins of the short circuit current enhancement in OPVC with 4-hydroxy-8-methyl-1,5-naphthyridine aluminum chelate (Alq3 with the substitution of both nitrogen and methyl group) EBL.

  17. The importance of holes in aluminium tris-8-hydroxyquinoline (Alq{sub 3}) devices with Fe and NiFe contacts

    SciTech Connect

    Zhang, Hongtao; Desai, P.; Kreouzis, T.; Zhan, Y. Q.; State Key Laboratory of ASIC and System, Department of Microelectronics, SIST, Fudan University, Shanghai 200433 ; Drew, A. J.; College of Physical Science and Technology, Sichuan University, Chengdu 610064 ; Gillin, W. P.; State Key Laboratory of ASIC and System, Department of Microelectronics, SIST, Fudan University, Shanghai 200433; College of Physical Science and Technology, Sichuan University, Chengdu 610064

    2014-01-06

    To study the dominant charge carrier polarity in aluminium tris-8-hydroxyquinoline (Alq{sub 3}) based spin valves, single Alq{sub 3} layer devices with NiFe, ITO, Fe, and aluminium electrodes were fabricated and characterised by Time of Flight (ToF) and Dark Injection (DI) techniques, yielding a lower hole mobility compared to electron mobility. We compare the mobility measured by DI for the dominant carrier injected from NiFe and Fe electrodes into Alq{sub 3}, to that of holes measured by ToF. This comparison leads us to conclude that the dominant charge carriers in Alq{sub 3} based spin valves with NiFe or Fe electrodes are holes.

  18. Preconcentration and purification of rare earth elements in natural waters using silica-immobilized 8-hydroxyquinoline and a supported organophosphorus extractant

    SciTech Connect

    Esser, B.K.; Volpe, A.; Kenneally, J.M.; Smith, D.K. )

    1994-05-15

    8-Hydroxyquinoline immobilized on silica gel (silica-8HQ) and RE-Spec, a supported organophosphorus extractant, were used to preconcentrate and purify rare earth elements (REEs) from natural waters prior to their determination by isotope-dilution inductivity coupled plasma mass spectrometry (ID-ICPMS). Preconcentration onto silica-8HQ is applicable to a wide range of trace metals, making it suitable for multielement ID-ICPMS studies. The silica-8HQ, RE-Spec technique concentrates REEs from 1 L or less of water into 1 mL of salt-free 0.1% nitric acid. The technique is rapid and has high REE yields (>80%) and low REE blanks (<2[minus]6 pg). In addition, Ba separation is high, allowing determination of La and Eu by ID-<300 pg of Ba is present in the final concentrates of sample solutions initially containing > 4 [mu]g of Ba. 24 refs., 2 figs., 4 tabs.

  19. Characterization of gold-thiol-8-hydroxyquinoline self-assembled monolayers for selective recognition of aluminum ion using voltammetry and electrochemical impedance spectroscopy.

    PubMed

    Shervedani, Reza Karimi; Rezvaninia, Zeinab; Sabzyan, Hassan; Boeini, Hassan Zali

    2014-05-12

    Gold electrode surface is modified via covalent attachment of a synthesized thiol functionalized with 8-hydroxyquinoline, p-((8-hydroxyquinoline)azo) benzenethiol (SHQ), for the first time. The behavior of the nanostructured electrode surface (Au-SHQ) is characterized by electrochemical techniques including cyclic and differential pulse voltammetry (CV and DPV), and electrochemical impedance spectroscopy (EIS). The modified surface is stable in a wide range of potentials and pHs. A surface pKa of 6.00.1 is obtained for Au-SHQ electrode using surface acid/base titration curves constructed by CV and EIS measurements as a function of pH. These results helped to determine the charge state of the surface as a function of pH. The gold modified electrode surface showed good affinity for sensing the Al(III) ion at pH 5.5. The sensing process is based on (i) accumulation and complex formation between Al(III) from the solution phase and 8HQ function on the Au electrode surface (recognition step) and (ii) monitoring the impedance of the Au-SHQ-Al(III) complex against redox reaction rate of parabenzoquinone (PBQ) (signal transduction step). The PBQ is found to be a more suitable probe for this purpose, after testing several others. Thus, the sensor was tested for quantitative determination of Al(III) from the solution phase. At the optimized conditions, a linear response, from 1.010(-11) to 1.210(-5) M Al(III) in semi-logarithmic scale, with a detection limit of 8.3210(-12) M and mean relative standard deviation of 3.2% for n=3 at 1.010(-7) M Al(III) is obtained. Possible interferences from coexisting cations and anions are also studied. The results show that many ions do not interfere significantly with the sensor response for Al(III). Validity of the method and applicability of the sensor are successfully tested by determination of Al(III) in human blood serum samples. PMID:24767148

  20. Preconcentration, separation and spectrophotometric determination of aluminium(III) in water samples and dialysis concentrates at trace levels with 8-hydroxyquinoline-cobalt(II) coprecipitation system.

    PubMed

    Bulut, Volkan Numan; Arslan, Deniz; Ozdes, Duygu; Soylak, Mustafa; Tufekci, Mehmet

    2010-10-15

    A separation-preconcentration procedure was developed for the determination of trace amounts of aluminium in water samples and dialysis concentrates by UV-vis Spectrophotometry after coprecipitation using 8-hydroxyquinoline (8-HQ) as a chelating agent and Co(II) as a carrier element. This procedure is based on filtration of the solution containing precipitate on a cellulose nitrate membrane filter following aluminium(III) coprecipitation with Co/8-HQ and then the precipitates together with membrane filter were dissolved in concentrated nitric acid. The metal contents of the final solution were determined by UV-vis Spectrophotometry with Erio Chrome Cyanine-R standard method. Several parameters including pH of sample solution, amount of carrier element and reagent, standing time, sample volume for precipitation and the effects of diverse ions were examined. The enrichment factor was calculated as 50 and the detection limits, corresponding to three times the standard deviation of the blank (N: 10), was found to be 0.2 microg L(-1). The accuracy of the method was tested with standard reference material (CRM-TMDW-500) and spiked addition. Determination of aluminium(III) was carried out in sea water, river water, tap water and haemodialysis fluids samples. The recoveries were >95%. The relative standard deviations of determination were less than 6%. PMID:20619964

  1. Synthesis, spectral, thermal and antibacterial investigations of mixed ligand complexes of thorium(IV) derived from 8-hydroxyquinoline and some amino acids.

    PubMed

    Patil, Sunil S; Thakur, Ganesh A; Shaikh, Manzoor M

    2012-01-01

    Mixed ligand Th(IV) complexes of the type [M(Q)(L)(NO3)2] x 2 H2O have been synthesized using 8-hydroxyquinoline (HQ) as a primary ligand and N- and/or O- donor amino acids (HL) such as L-lysine, L-aspartic acid and L-cysteine as secondary ligands. The metal complexes have been characterized on the basis of elemental analysis, electrical conductance, room temperature magnetic susceptibility measurements,spectral and thermal studies. The electrical conductance studies of the complexes in DMF in 10(-3) M concentration indicate their non-electrolytic nature. Room temperature magnetic susceptibility measurements revealed diamagnetic nature of the complexes. Electronic absorption spectra of the complexes show intra-ligand and charge transfer transitions, respectively. Bonding of the metal ion through N- and O- donor atoms of the ligands revealed by IR studies and the chemical environment of the protons is also confirmed by NMR studies. The thermal analysis data of the complexes indicate the presence of crystallized water molecules. The agar cup and tube dilution method have been used to study the antibacterial activity of the complexes against the pathogenic bacteria S. aureus, C. diphtheriae, S. typhi and E. coli. PMID:23285669

  2. Preconcentration of cobalt with 8-hydroxyquinoline and gas chromatographic stationary phase Chromosorb 105 and its determination by graphite furnace atomic absorption spectrometry.

    PubMed

    Cai, Yaqi; Jiang, Guibin; Liu, Jingfu

    2002-07-19

    This paper presents a study of the adsorption characteristics of a commercially available GC stationary phase Chromosorb 105 for Co(2+), which can be successfully applied to the preconcentration of Co(2+) in water samples followed by GFAAS determination. After reacting with 8-hydroxyquinoline to form a complex at pH 8.0, Co(2+) in water can be retained on a minicolumn packed with Chromosorb 105 and eluted with 2.5 ml of a mixture of ethanol and 2 moll(-1) HNO(3) (2+1, v/v). The recoveries of Co(2+) from 200 ml of tap water, river water and bottled natural mineral water samples are quantitative. Conditions for quantitative and reproducible preconcentration, elution and subsequent GFAAS determination were studied. A highly sensitive, simple method for preconcentration and GFAAS determination of trace amount of cobalt in natural water samples using a Chromosorb 105 packed minicolumn has been proposed. The high retention efficiency ( approximately 95%) for Co(2+) provides a sensitivity enhancement of 80 for a 200 ml sample volume with a detection limit of 13.4 ngl(-1) (3sigma) and a quantification limit of 44.5 ngl(-1) (10sigma). PMID:18968723

  3. Effects of a tacrine-8-hydroxyquinoline hybrid (IQM-622) on A? accumulation and cell death: involvement in hippocampal neuronal loss in Alzheimer's disease.

    PubMed

    Antequera, Desiree; Bolos, Marta; Spuch, Carlos; Pascual, Consuelo; Ferrer, Isidro; Fernandez-Bachiller, Mara Isabel; Rodrguez-Franco, Mara Isabel; Carro, Eva

    2012-06-01

    Several studies have implicated the enzyme acetylcholinesterase (AChE) as well as several biometals in the pathogenesis of Alzheimer's disease (AD). A multifunctional molecule, the hybrid tacrine-8-hydroxyquinoline (named IQM-622), displays cholinergic, antioxidant, copper-complexing and neuroprotective properties. Using in vitro and in vivo models, we investigated the modulating effects of IQM-622 on amyloid ?-protein (A?)-induced pathology as well as on chemically induced neurodegeneration by domoic acid. In the first experimental model, we observed a significant decrease in brain A? deposits in IQM-622-treated APP/Ps1 mice for four weeks. Moreover, IQM-622 promoted the degradation of intracellular A? in astrocytes, and protected against A? toxicity in cultured astrocytes and neurons. These findings suggest that the neuroprotective effect of IQM-622 is not only related to AChE inhibition, but also involves other mechanisms, including the modulation of A?-degradation pathways in AD brain. In this study we also compare the neuronal loss in CA1 hippocampal field of AD patients and of mice treated with domoic acid, giving similar patterns. Thus, we used a second experimental model by killing hippocampal neurons by domoic acid damage, in which IQM-622 increased survival in the CA1 and dentate gyrus regions of the hippocampus. Our observations suggest that administration of IQM-622 may have significant beneficial effects in neurodegenerative diseases, including AD, which course with acute or progressive neuronal death. PMID:22426395

  4. Synthesis, spectroscopic, thermal, voltammetric studies and biological activity of crystalline complexes of pyridine-2,6-dicarboxylic acid and 8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    olak, Alper Tolga; olak, Ferda?; Ye?ilel, Okan Zafer; Bykgngr, Orhan

    2009-11-01

    Two new compounds (8-H 2Q) 2[M(dipic) 2]6H 2O (M = Co ( 1) and Ni ( 2), 8-HQ = 8-hydroxyquinoline, dipic = dipicolinate) have been prepared and characterized by elemental analysis, spectral (IR and UV-vis), thermal analyses, magnetic measurements and single-crystal X-ray diffraction techniques. Both 1 and 2 consist two 8-hydroxyquinolinium cations, one bis(dipicolinate)M(II) anion [M = Co(II), Ni(II)] and six uncoordinated water molecules. Both 1 and 2 crystallize in the monoclinic space group C2/c. In the compounds anion, each dipic ligand simultaneously exhibits tridentate coordination modes through N atom of pyridine ring and oxygen atoms of the carboxylate groups. The crystal packing of 1 and 2 is a composite of intermolecular hydrogen bonding and C-O⋯? interactions. The in vitro antibacterial and antifungal activities of 1 and 2 were evaluated by the agar well diffusion method by MIC tests. Both new compounds showed the same antimicrobial activity against Gram-positive bacteria and yeast and fungi expect Gram-negative bacteria.

  5. Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.

    PubMed

    Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong

    2015-11-21

    A new family of lanthanide complexes, [Ln2(hfac)4L2] (Ln = Eu (1), Gd (2), Tb (3), Dy (4), Ho (5), Er (6), Lu (7); hfac = hexafluoroacetylacetonate, HL = 2-(2?-benzothiazole)-8-hydroxyquinoline), was synthesized and characterized using single-crystal X-ray diffraction, elemental analysis (EA), thermal gravimetric analysis (TGA), powder X-ray diffraction (PXRD) and UV-vis spectra. X-ray crystallographic analyses reveal that 17 are isomorphous and crystallize in the monoclinic space group C2/c. In these dinuclear complexes, each Ln? ion is eight-coordinated with two bidentate hfac and two ?-phenol bridging L ligands. The TGA results show that the complexes have relatively high thermal stabilities. Complexes 1 and 3 show the characteristic transitions of the corresponding lanthanide ions with ligand-related emission peaks. Meanwhile, complexes 4 and 7 exhibit ligand-centered fluorescence at room temperature. Magnetic measurements were carried out on complexes 26. The magnetic study reveals that 2 displays a magnetocaloric effect, with a maximum ??Sm value of 16.89 J K?1 kg?1 at 2 K for ?H = 8 T. Dynamic magnetic studies reveal single-molecule magnet (SMM) behavior for complex 4. Fitting the dynamic magnetic data to the Arrhenius law gives an energy barrier ?E/kB = 50.33 K and pre-exponential factor ?0 = 1.05 10(-8)s. PMID:26466301

  6. Highly sensitive gold nanoparticles-based optical sensing of DNA hybridization using bis(8-hydroxyquinoline-5-solphonate)cerium(III) chloride as a novel fluorescence probe.

    PubMed

    Shamsipur, Mojtaba; Memari, Zahra; Ganjali, Mohammad Reza; Norouzi, Parviz; Faridbod, Farnoush

    2016-01-25

    A simple and sensitive method for the detection of DNA hybridization in a homogeneous format was developed, using bis(8-hydroxyquinoline-5-solphonate)cerium(III) chloride (Ce(QS)2Cl) as a novel fluorescent probe. The method is based on fluorescence quenching by gold nanoparticles used as both nanoscafolds for the immobilization of the probe DNA sequence, which is related to Alicyclobacillus acidophilus strain TA-67 16S ribosomal RNA, and nanoquenchers of the Ce(QS)2Cl probe. The probe DNA-functionalized GNPs were synthesized by derivatizing the colloidal gold nanoparticles solution with 3-thiolated 16-base oligonucleotides. Addition of sequence-specific target DNAs (16 bases) into the mixture containing probe DNA-functionalized GNPs and fluorescent probe lead to the quenching of Ce(QS)2Cl fluorescence at 360nm (?ex=270nm), due to DNA hybridization, the resulting quenched intensity being proportional to the concentration of target DNA. Under optimal conditions of pH 7.4 and Ce(QS)2Cl concentration of 1.010(-7)M, the linear dynamic range found to be 1.010(-10)-3.010(-8)M DNA, with a limit of detection of 7.010(-11)M. The interaction mechanism for the binding of Ce(QS)2Cl to DNA was studied in detail, and results proved that the interaction mode between Ce(QS)2Cl and DNA is groove binding, with a binding constant of 1.010(5)M(-1). PMID:26600117

  7. Differential pulse polarographic determination of poly(8-hydroxyquinoline) in the presence and absence of an insulating poly(vinyl alcohol) matrix.

    PubMed

    Kamal, Mostafa M; Ahmed, Seddique M; Shahata, Mohamed M; Temerk, Yassien M

    2002-04-01

    The electrochemical activity of poly(8-hydroxyquinoline) (PHQ) in acid and alkaline media has been investigated by use of differential pulse polarography (DPP). The reduction peak height (I(p)) of PHQ in universal buffer solutions is not useful as an analytical signal, because it is highly affected by hydrogen evolution in acid media and appears as a small peak located at more negative potential values in alkaline media. A new and highly sensitive reduction peak (E(p)=-0.45, pH 9.25) appears, however, after addition of trace amounts of PHQ to Cu(II), or vice versa. This reduction peak is a result of the reduction of Cu(II) chelates in the PHQ-Cu(II) complex and is highly promising for the trace determination of PHQ at nanomolar and submicromolar levels. The response current (I(p)/mu A) for the reduction peak of Cu(II) chelates in a PHQ-Cu(II) matrix results in sensitivity to the concentration of PHQ at least three orders of magnitude higher than that for the reduction peak of PHQ alone under the same conditions. The limit of detection is as low as 5.264 ppb (microg L(-1)). The effect of a variety of anions and cations and of an insulating poly(vinyl alcohol) (PVA) matrix has been investigated. Electroactive PHQ-Cu(II) at a level of 0.685% could induce a current of approximately 240 nA in an insulating PVA matrix, suggesting possible application for the preparation of a PHQ-Cu(II)-PVA electroactive composite. PMID:12012200

  8. An effective in vitro and in vivo antileishmanial activity and mechanism of action of 8-hydroxyquinoline against Leishmania species causing visceral and tegumentary leishmaniasis.

    PubMed

    Costa Duarte, Mariana; Dos Reis Lage, Letcia Martins; Lage, Daniela Pagliara; Mesquita, Juliana Tonini; Salles, Beatriz Cristina Silveira; Lavorato, Stefnia Neiva; Menezes-Souza, Daniel; Roatt, Bruno Mendes; Alves, Ricardo Jos; Tavares, Carlos Alberto Pereira; Tempone, Andr Gustavo; Coelho, Eduardo Antonio Ferraz

    2016-02-15

    The development of new therapeutic strategies to treat leishmaniasis has become a priority. In the present study, the antileishmanial activity of 8-hydroxyquinoline (8-HQN) was investigated against in vitro promastigotes and in vivo intra-macrophage amastigotes of three Leishmania species: Leishmania amazonensis, Leishmania infantum and Leishmania braziliensis. Studies were performed to establish the 50% Leishmania inhibitory concentration (IC50) of 8-HQN, as well as its 50% cytotoxic concentration (CC50) on murine macrophages and in human red blood cells. The inhibition of macrophages infection was also evaluated using parasites that were pre-treated with 8-HQN. The effects of this compound on nitric oxide (NO) production and in the mitochondrial membrane potential were also evaluated. Finally, the therapeutic efficacy of 8-HQN was assessed in a known murine model, L. amazonensis-chronically infected BALB/c mice. Our results showed that 8-HQN was effective against promastigote and amastigote stages of all tested Leishmania species, presenting a selectivity index of 328.0, 62.0 and 47.0 for L. amazonensis, L. infantum and L. braziliensis, respectively. It was effective in treating infected macrophages, as well as in preventing the infection of these cells using pre-treated parasites. In addition, 8-HQN caused an alteration in the mitochondrial membrane potential of the parasites. When administered at 10mg/kg body weight/day by subcutaneous route, this product was effective in reducing the lesion diameter, as well as the parasite load in evaluated tissues and organs of infected animals. The results showed the in vitro and in vivo efficacy of 8-HQN against three different Leishmania species causing tegumentary and/or visceral leishmaniasis, and it could well be used for future therapeutic optimization studies to treat leishmaniasis. PMID:26827866

  9. 8-Hydroxyquinoline-based inhibitors of the Rce1 protease disrupt Ras membrane localization in human cells.

    PubMed

    Mohammed, Idrees; Hampton, Shahienaz E; Ashall, Louise; Hildebrandt, Emily R; Kutlik, Robert A; Manandhar, Surya P; Floyd, Brandon J; Smith, Haley E; Dozier, Jonathan K; Distefano, Mark D; Schmidt, Walter K; Dore, Timothy M

    2016-01-15

    Ras converting enzyme 1 (Rce1) is an endoprotease that catalyzes processing of the C-terminus of Ras protein by removing -aaX from the CaaX motif. The activity of Rce1 is crucial for proper localization of Ras to the plasma membrane where it functions. Ras is responsible for transmitting signals related to cell proliferation, cell cycle progression, and apoptosis. The disregulation of these pathways due to constitutively active oncogenic Ras can ultimately lead to cancer. Ras, its effectors and regulators, and the enzymes that are involved in its maturation process are all targets for anti-cancer therapeutics. Key enzymes required for Ras maturation and localization are the farnesyltransferase (FTase), Rce1, and isoprenylcysteine carboxyl methyltransferase (ICMT). Among these proteins, the physiological role of Rce1 in regulating Ras and other CaaX proteins has not been fully explored. Small-molecule inhibitors of Rce1 could be useful as chemical biology tools to understand further the downstream impact of Rce1 on Ras function and serve as potential leads for cancer therapeutics. Structure-activity relationship (SAR) analysis of a previously reported Rce1 inhibitor, NSC1011, has been performed to generate a new library of Rce1 inhibitors. The new inhibitors caused a reduction in Rce1 in vitro activity, exhibited low cell toxicity, and induced mislocalization of EGFP-Ras from the plasma membrane in human colon carcinoma cells giving rise to a phenotype similar to that observed with siRNA knockdowns of Rce1 expression. Several of the new inhibitors were more effective at mislocalizing K-Ras compared to a potent farnesyltransferase inhibitor (FTI), which is significant because of the preponderance of K-Ras mutations in cancer. PMID:26706114

  10. Analytical performance of a lab-made concomitant metal analyzer to generate volatile species of Ag, Au, Cd, Cu, Ni, Sn and Zn using 8-hydroxyquinoline as a reaction media.

    PubMed

    Villanueva-Alonso, Julia; Peña-Vázquez, Elena; Bermejo-Barrera, Pilar

    2012-10-15

    This study evaluated the main parameters affecting Ag, Au, Cd, Cu, Ni, Sn and Zn vapor generation using a lab-made concomitant metal analyzer (CMA) as a reaction chamber and gas-liquid separator. The modifier used in the reaction media was 8-hydroxyquinoline, and Inductively-Coupled Plasma Optical Emission Spectrometry was used as detection technique. The performance of the lab-made concomitant analyzer was compared with the performance of a continuous flow gas-liquid separator and of a cyclonic spray chamber. Standards were prepared in acid media and included 1 mg L(-1) of Co as a catalyzer. The optimum concentrations of the reagents in the standards were: 450 mg L(-1) of 8-hydroxyquinoline and 0.4 M nitric acid. The optimum concentration of sodium borohydride to generate the vapors was 2.25% (w/v) (prepared in 0.4% (w/v) NaOH). The volatile species were swept from the CMA to the torch by an argon flow of 0.6 mL min(-1). The use of the CMA led to an improvement of the detection limits for some elements compared to conventional nebulization: 1.1 μg L(-1) for Ag, 7.0 μg L(-1) for Au and 4.3 μg L(-1) for Sn. The limit of detection for Cu was 1.4 μg L(-1) and for Ni 22.5 μg L(-1). The direct mixing of the reagents on the spray chamber was not effective for Cd and Zn; a deviation of the linearity was observed for these elements. PMID:23141310

  11. Water-Soluble 8-Hydroxyquinoline Conjugate of Amino-Glucose As Receptor for La(3+) in HEPES Buffer, on Whatman Cellulose Paper and in Living Cells.

    PubMed

    Areti, Sivaiah; Bandaru, Sateesh; Teotia, Rohit; Rao, Chebrolu P

    2015-12-15

    A water-soluble glucopyranosyl conjugate, L, has been synthesized and characterized by different analytical and spectral techniques. The L has been demonstrated to have switch-on fluorescence enhancement of ?75 fold in the presence of La(3+) among the nine lanthanide ions studied in the HEPES buffer at pH 7.4. A minimum detection limit of 140 nM (16 2 ppb) was shown by L for La(3+) in the buffer at physiological pH. The utility of L has been demonstrated by showing its sensitivity toward La(3+) on Whatman filter paper strips. The reversible and reusable action of L has been demonstrated by monitoring the fluorescence changes as a function of the addition of La(3+) followed by F(-) and HPO4(2-) ions. The complexation of L by La(3+) was shown by absorption spectra wherein isosbestic behavior was observed. The Job's plot suggests a 2:1 complex between L and La(3+), and the same was supported by ESI-MS. The control molecular study revealed the necessity of hydroxy quinoline and the amine group for La(3+) ion binding and the glyco-moiety to bring water solubility and biocompatibility. The structural features of the [2L+La(3+)] complex were established by DFT computational calculations. The chemo-ensemble, [2L+La(3+)], is shown responsible for providing intracellular fluorescence imaging in HepG2 cells. PMID:26575324

  12. The urinary antibiotic 5-nitro-8-hydroxyquinoline (Nitroxoline) reduces the formation and induces the dispersal of Pseudomonas aeruginosa biofilms by chelation of iron and zinc.

    PubMed

    Sobke, A; Klinger, M; Hermann, B; Sachse, S; Nietzsche, S; Makarewicz, O; Keller, P M; Pfister, W; Straube, E

    2012-11-01

    Since cations have been reported as essential regulators of biofilm, we investigated the potential of the broad-spectrum antimicrobial and cation-chelator nitroxoline as an antibiofilm agent. Biofilm mass synthesis was reduced by up to 80% at sub-MIC nitroxoline concentrations in Pseudomonas aeruginosa, and structures formed were reticulate rather than compact. In preformed biofilms, viable cell counts were reduced by 4 logs at therapeutic concentrations. Complexation of iron and zinc was demonstrated to underlie nitroxoline's potent antibiofilm activity. PMID:22926564

  13. The Urinary Antibiotic 5-Nitro-8-Hydroxyquinoline (Nitroxoline) Reduces the Formation and Induces the Dispersal of Pseudomonas aeruginosa Biofilms by Chelation of Iron and Zinc

    PubMed Central

    Klinger, M.; Hermann, B.; Sachse, S.; Nietzsche, S.; Makarewicz, O.; Keller, P. M.; Pfister, W.; Straube, E.

    2012-01-01

    Since cations have been reported as essential regulators of biofilm, we investigated the potential of the broad-spectrum antimicrobial and cation-chelator nitroxoline as an antibiofilm agent. Biofilm mass synthesis was reduced by up to 80% at sub-MIC nitroxoline concentrations in Pseudomonas aeruginosa, and structures formed were reticulate rather than compact. In preformed biofilms, viable cell counts were reduced by 4 logs at therapeutic concentrations. Complexation of iron and zinc was demonstrated to underlie nitroxoline's potent antibiofilm activity. PMID:22926564

  14. Organic light-emitting devices with a mixture emitting layer of tris-(8-hydroxyquinoline) aluminum and 4,4'-bis(carbazol-9-yl)-biphenyl

    NASA Astrophysics Data System (ADS)

    Chen, B. J.; Sun, X. W.; Sarma, K. R.

    2006-06-01

    Organic light-emitting devices with a mixture of tris-(8-hydroxyqunoline) aluminum (Alq3) and 4,4'-bis(carbazol-9-yl)-biphenyl (CBP) as the emitting layer have been fabricated. The devices were fabricated in the same run with a standard device without CBP for comparison, with an identical structure of indium tin oxide (ITO)/m-MTDATA (80nm)/NPB (20nm)/CBP:Alq3 (40nm)/BCP (10nm)/Alq3 (60nm)/Mg:Ag (200nm), where m-MTDATA is 4,4',4?-tris(N-3-methylphenyl-N-phenyl-amino) triphenylamine, which is used to improve hole injection; NPB is N ,N'-di(naphth-2-yl)-N ,N'-diphenyl-benzidine; and BCP is 2,9-Dimethyl-4,7-diphenyl-1,110-phenanthorline. The ratio of CBP to Alq3 in mixture was varied from 0 to 2. For device with a ratio of 0.5, the current efficiency and power efficiency were significantly improved by 35% and 32%, respectively, compared to the standard device with Alq3 only as emitting layer. By increasing the ratio to 2, the current efficiency and power efficiency were dropped by 20% and 11%, respectively. The electroluminescence spectra showed a slight blueshift with the increase of CBP to Alq3 ratio.

  15. Spacecraft hazard avoidance utilizing structured light

    NASA Technical Reports Server (NTRS)

    Liebe, Carl Christian; Padgett, Curtis; Chapsky, Jacob; Wilson, Daniel; Brown, Kenneth; Jerebets, Sergei; Goldberg, Hannah; Schroeder, Jeffrey

    2006-01-01

    At JPL, a <5 kg free-flying micro-inspector spacecraft is being designed for host-vehicle inspection. The spacecraft includes a hazard avoidance sensor to navigate relative to the vehicle being inspected. Structured light was selected for hazard avoidance because of its low mass and cost. Structured light is a method of remote sensing 3-dimensional structure of the proximity utilizing a laser, a grating, and a single regular APS camera. The laser beam is split into 400 different beams by a grating to form a regular spaced grid of laser beams that are projected into the field of view of an APS camera. The laser source and the APS camera are separated forming the base of a triangle. The distance to all beam intersections of the host are calculated based on triangulation.

  16. Synthesis, structural characterization, electrochemistry and spectroelectrochemistry of dinuclear copper(II) metal complexes stabilized by a tetradentate NOOO salicylaldimine ligands

    NASA Astrophysics Data System (ADS)

    Tas, E.; Onal, I. H.; Yilmaz, I.; Kilic, A.; Durgun, M.

    2009-06-01

    The synthesis, structure, spectroscopic and electro-spectrochemical properties of salicylaldimine Schiff-base ligands (L nH) ( n = 1, 2, and 3) (L 1H = N-[2-amino-8-hydroxyquinoline]-salicylaldimine, L 2H = N-[2-amino-8-hydroxyquinoline]-5-bromosalicylaldimine and L 3H = N-[2-amino-8-hydroxyquinoline]-5-methoxysalicylaldimine), respectively, and their dinuclear copper(II) complexes [Cu 2(L n) 2] are described. Three new dissymmetric tetradentate salicylaldimine ligands containing a donor set of NOOO were prepared by reaction of 2-amino-8-hydroxyquinoline with different salicylaldehydes. The dinuclear copper(II) metal complexes of these ligands were synthesized by treating an ethanolic solution of the appropriate ligand with an equimolar amount of Cu(Ac) 2H 2O. The ligands and their copper complexes were characterized by FT-IR, UV-vis, 1H NMR, elemental analysis, molar conductivity, mass spectra and thermal analysis methods in addition to magnetic susceptibility and spectroelectrochemical techniques. The reaction of these ligands in a 1:1 mole ratio with copper(II) acetate afforded dinuclear Cu(II) metal complexes. The room temperature magnetic moments of [Cu 2(L n) 2] complexes are found between 1.12 and 1.28 BM for per Cu(II) molecule.

  17. A structural design decomposition method utilizing substructuring

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1994-01-01

    A new method of design decomposition for structural analysis and optimization is described. For this method, the structure is divided into substructures where each substructure has its structural response described by a structural-response subproblem, and its structural sizing determined from a structural-sizing subproblem. The structural responses of substructures that have rigid body modes when separated from the remainder of the structure are further decomposed into displacements that have no rigid body components, and a set of rigid body modes. The structural-response subproblems are linked together through forces determined within a structural-sizing coordination subproblem which also determines the magnitude of any rigid body displacements. Structural-sizing subproblems having constraints local to the substructures are linked together through penalty terms that are determined by a structural-sizing coordination subproblem. All the substructure structural-response subproblems are totally decoupled from each other, as are all the substructure structural-sizing subproblems, thus there is significant potential for use of parallel solution methods for these subproblems.

  18. The Causal Structure of Utility Conditionals

    ERIC Educational Resources Information Center

    Bonnefon, Jean-Francois; Sloman, Steven A.

    2013-01-01

    The psychology of reasoning is increasingly considering agents' values and preferences, achieving greater integration with judgment and decision making, social cognition, and moral reasoning. Some of this research investigates utility conditionals, "if 'p' then 'q'" statements where the realization of "p" or "q" or both is valued by some agents.

  19. The Causal Structure of Utility Conditionals

    ERIC Educational Resources Information Center

    Bonnefon, Jean-Francois; Sloman, Steven A.

    2013-01-01

    The psychology of reasoning is increasingly considering agents' values and preferences, achieving greater integration with judgment and decision making, social cognition, and moral reasoning. Some of this research investigates utility conditionals, ‘"if 'p' then 'q'’" statements where the realization of "p" or "q" or both is valued by some agents.…

  20. Utilization of structural steel in buildings

    PubMed Central

    Moynihan, Muiris C.; Allwood, Julian M.

    2014-01-01

    Over one-quarter of steel produced annually is used in the construction of buildings. Making this steel causes carbon dioxide emissions, which climate change experts recommend be reduced by half in the next 37 years. One option to achieve this is to design and build more efficiently, still delivering the same service from buildings but using less steel to do so. To estimate how much steel could be saved from this option, 23 steel-framed building designs are studied, sourced from leading UK engineering firms. The utilization of each beam is found and buildings are analysed to find patterns. The results for over 10 000 beams show that average utilization is below 50% of their capacity. The primary reason for this low value is ‘rationalization’—providing extra material to reduce labour costs. By designing for minimum material rather than minimum cost, steel use in buildings could be drastically reduced, leading to an equivalent reduction in ‘embodied’ carbon emissions. PMID:25104911

  1. Utilization of Protein Crystal Structures in Industry

    NASA Astrophysics Data System (ADS)

    Ishikawa, Kohki

    In industry, protein crystallography is used in mainly two technologies. One is structure-based drug design, and the other is structure-based enzyme engineering. Some successful cases together with recent advances are presented in this article. The cases include the development of an anti-influenza drug, and the introduction of engineered acid phosphatase to the manufacturing process of nucleotides used as umami seasoning.

  2. UAV sensor platforms utilizing pressurized structures technology

    NASA Astrophysics Data System (ADS)

    Edge, Harris L.

    2009-05-01

    Several areas of unmanned aerial vehicle (UAV) performance need to be improved for the next generation of UAVs to be used successfully in expanded future combat roles. This paper describes the initial research to improve the performance of UAVs through the use of pressurized structures-based (PSB) technologies. Basically, the UAV will be constructed in such a way that a considerable percentage of its weight will be supported by or composed of inflatable structures containing air or helium. PSB technology will reduce the amount of energy required to keep the UAV aloft thus allowing the use of smaller, slower, and quieter motors. Using PSB technology in tandem with improving technologies in electronics, energy storage, and materials should provide a substantial increase over current UAV performance in areas of need to the military.

  3. Dynamic and structural control utilizing smart materials and structures

    NASA Technical Reports Server (NTRS)

    Rogers, C. A.; Robertshaw, H. H.

    1989-01-01

    An account is given of several novel 'smart material' structural control concepts that are currently under development. The thrust of these investigations is the evolution of intelligent materials and structures superceding the recently defined variable-geometry trusses and shape memory alloy-reinforced composites; the substances envisioned will be able to autonomously evaluate emergent environmental conditions and adapt to them, and even change their operational objectives. While until now the primary objective of the developmental efforts presently discussed has been materials that mimic biological functions, entirely novel concepts may be formulated in due course.

  4. Vibration Based Structural Health Monitoring for Utility Scale Wind Turbines

    NASA Astrophysics Data System (ADS)

    Bassett, Kyle

    Structural health monitoring (SHM) is a process of implementing a damage detection strategy for a mechanical system. Wind turbine machinery stands to benefit from SHM significantly as the ability to detect early stages of damage before serious malfunction or collapse reduces the overall operating costs of wind power projects. Vibration analysis of dynamic structural response is an approach to SHM that has been successfully applied to mechanical and civil systems and shows promise for wind turbine application due to availability of instruments, ease of installation, and overall affordability. This study presents the development of vibration based wind turbine structural health monitoring through experimental analysis of an operating wind turbine. A database of acquired vibration response signals detailing over 3 hours of turbine operation was assembled and a Daubachies 6th order wavelet was used to perform a 12 level discrete wavelet decomposition such that general trends and patterns within the signals could be identified. After determining response behavior of a healthy turbine, a novel vibration based SHM scheme is developed based on findings from experimental work. Specific interest has been paid to monitoring yaw and braking systems as they have been identified as problematic. With further development this vibration scheme can be applied by wind farm operators to reduce downtime and failure frequency of utility scale wind turbines.

  5. Design of intelligent mesoscale periodic array structures utilizing smart hydrogel

    NASA Technical Reports Server (NTRS)

    Sunkara, H. B.; Penn, B. G.; Frazier, D. O.; Weissman, J. M.; Asher, S. A.

    1996-01-01

    Mesoscale Periodic Array Structures (MPAS, also known as crystalline colloidal arrays), composed of aqueous or nonaqueous dispersions of self-assembled submicron colloidal spheres are emerging toward the development of advanced optical devices for technological applications. This is because of their unique optical diffraction properties and the ease with which these intriguing properties can be modulated experimentally. Moreover our recent advancements in this area which include 'locking' the liquid MPAS into solid or semisolid polymer matrices for greater stability with longer life span, and incorporation of CdS quantum dots and laser dyes into colloidal spheres to obtain nonlinear optical (NLO) responses further corroborate the use of MPAS in optical technology. Our long term goal is fabrication of all-optical and electro-optical devices such as spatial light modulators for optical signal processing and flat panel display devices by utilizing intelligent nonlinear periodic array structural materials. Here we show further progress in the design of novel linear MPAS which have the ability to sense and respond to an external source such as temperature. This is achieved by combining the self-assembly properties of polymer colloidal spheres and thermoshrinking properties of smart polymer gels. At selected temperatures the periodic array efficiently Bragg diffracts light and transmits most of the light at other temperatures. Hence these intelligent systems are of potential use as fixed notch filters optical switches or limiters to protect delicate optical sensors from high intensity laser radiation.

  6. Structure of the electric utility industry, 1990. Final report

    SciTech Connect

    Penner, P.S.

    1980-04-01

    A vector of normalized inputs to a hypothetical 1990 electric-utility industry is created. Inputs and outputs from the industry are all considered as homogeneous components of Bureau of Economic Analysis (BEA) economic sectors at approximately the 2-digit (83-sector) level of aggregation. While the sector definitions are BEA-compatible, the vector is created at a 90-sector level of detail for use within the Energy Research Group (ERG) energy input-output model. The vector is listed as ERGELIN. The normalized vector of depreciation capital inputs is stored as ELINDEP. The sum of the two is the final depreciation-corrected vector of 1990 electric-utility industry inputs and is stored as EGELIND. All vectors have units Btu/Btue (1st five sectors) and $1967 per million Btue.

  7. Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them

    SciTech Connect

    Mendelsohn, M.; Kreycik, C.

    2012-04-01

    Utility-scale solar projects have grown rapidly in number and size over the last few years, driven in part by strong renewable portfolio standards (RPS) and federal incentives designed to stimulate investment in renewable energy technologies. This report provides an overview of such policies, as well as the project financial structures they enable, based on industry literature, publicly available data, and questionnaires conducted by the National Renewable Energy Laboratory (NREL).

  8. High performance encapsulation structures utilizing Russian Doll architectures

    NASA Astrophysics Data System (ADS)

    Granstrom, Jimmy; Villet, Michael; Chatterjee, Tirtha

    2010-03-01

    A Russian Doll encapsulation architecture utilizing pairs of free-standing barrier films and epoxy seals separated by nitrogen spacers is presented, enabling the use of low-cost epoxy to attach two or more free-standing barrier films to a substrate with improved barrier performance. The performance of various Russian Doll encapsulations was evaluated with the calcium thin film optical transmission test, showing improved performance of the Russian doll configuration relative to a non-nested barrier/spacer architecture, and demonstrating that water vapor transmission rates of 0.0021 g/(m^2, day) or below can be achieved with low-cost materials in this architecture. This WVTR correlates to a predicted lifetime of more than 10 years for inverted organic P3HT:PCBM bulk heterojunction solar cell modules fabricated and tested by Konarka Technologies (Lowell, MA, USA).

  9. Design of intelligent mesoscale periodic array structures utilizing smart hydrogel

    SciTech Connect

    Sunkara, H.B.; Penn, B.G.; Frazier, D.O.

    1996-10-01

    Intelligent mesoscale periodic array structures have been designed by combining the self-assembly properties of monodisperse polymer colloidal spheres with thermoshrinking properties of crosslinked poly(N-isopropylacrylamide) hydrogels. The periodic array structures dispersed in aqueous medium are very sensitive to environmental stimuli such as temperature and ionic species. These systems displayed dramatic and reversible optical responses against changes in temperature due to the spatial modulation in the index of refraction of the get spheres in the lattice. Precisely selecting a temperature, the diffraction efficiencies of this system can be turned on-off. The intelligent structures can be used in optical devices to protect optical sensors from high intensity lasers, and will of use in advanced optical device applications.

  10. Cellular structure of detonation utilized in propulsion system

    NASA Astrophysics Data System (ADS)

    Zhang, XuDong; Fan, BaoChun; Gui, MingYue; Pan, ZhenHua

    2012-10-01

    How to confine a detonation in a combustor is a key issue of detonation applications in propulsion systems. Based on achieving schemes, detonations applied in the combustor, including pulse detonation wave (PDW), oblique detonation wave (ODW) and rotating detonation wave (RDW), are different from that described by the classic CJ theory in fine structures and its self-sustaining mechanisms. In this work, the cellular structures and flow fields of ODW and RDW were obtained numerically, and the fundamental characteristics and self-sustaining mechanisms of the detonations were analyzed and discussed. ODW front consists of three parts: the ZND-like front, the single-headed triple point front and the dual-headed triple point front. Cellular structures of RDW are heterogeneous, and the cell size near the outer wall is smaller than that near the inner wall.

  11. Possibility of utilization directing structures in river revitalization

    NASA Astrophysics Data System (ADS)

    lezingr, M.; Synkov, J.; Foltnov, L.; Uhmannov, H.

    2010-09-01

    Directing and concentrating structures are mainly used on water courses with unstable channels and major sediment transport or in areas with major bank erosion. The main purpose of these structures is to redirect water flow from the stressed and very often eroded bank to the centre of the channel or other parts of the channel, where the water flow may be used, e.g., for dispersion of unsuitable deposits before its eventual stabilization by natural succession. Another important goal is to achieve a desired change in a stream channel by using the transporting power of the water flow and targeted deposition of any sediment. The area of a deflecting structure, a so-called hydraulic shadow, also appears where sediment is deposited (deflector). The objective is to achieve the deposition of sediments at desired places in the stream. It is possible to design a whole range of suitable or less suitable types of flow deflectors. In our article, we will particularly focus on problems of revitalizing a water course; i.e., the design of structures from biological or biotechnical elements for channel stabilization.

  12. Multifunctional composite sandwich structures utilizing embedded microvascular networks

    NASA Astrophysics Data System (ADS)

    Tye, Jordan

    Sandwich composites possess exceptional specific flexural strengths, but currently lack the capability for multifunctional use of the volumes encapsulated within their cores. The objectives of this research are to (1) fabricate sacrificial fiber with increased production rates and decreased degradation times, (2) integrate sacrificial fibers into sandwich composite skins, and (3) transport, store, and recover fluid from cells within a honeycomb composite core. Melt-mixing and extrusion of PLA and tin (II) oxalate catalyst is used to increase production rates by five orders of magnitude and reduce evacuation times by a factor of four, while substantially lowering costs and eliminating hazardous chemical waste. Sacrificial fibers are woven into and fully evacuated from sandwich composite structures. Finally, fluid is successfully transported via the patterned microvascular pathways and stored within the core compartments, enabling sandwich composites suitable for applications such as structural fluid storage, heat dissipation, and damage sensing.

  13. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structures: Preprint

    SciTech Connect

    Ruth, Mark; Pratt, Annabelle; Lunacek, Monte; Mittal, Saurabh; Wu, Hongyu; Jones, Wesley

    2015-07-17

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is poorly understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time of use tariff to estimate economic and physical impacts on both the households and the distribution utilities. HEMS reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Household savings are greater than the reduction utility net revenue indicating that HEMS can provide a societal benefit providing tariffs are structured so that utilities remain solvent. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices and resulting in a higher peak load.

  14. Method for Molding Structural Parts Utilizing Modified Silicone Rubber

    NASA Technical Reports Server (NTRS)

    Weiser, Erik S. (Inventor); Baucom, Robert M. (Inventor); Snoha, John J. (Inventor)

    1998-01-01

    This invention improves upon a method for molding structural parts from preform material. Preform material to be used for the part is provided. A silicone rubber composition containing entrained air voids is prepared. The silicone rubber and preform material assembly is situated within a rigid mold cavity used to shape the preform material to die desired shape. The entire assembly is heated in a standard heating device so that the thermal expansion of the silicone rubber exerts the pressure necessary to force the preform material into contact with the mold container. The introduction of discrete air voids into the silicone rubber allows for accurately controlled pressure application on the preform material at the cure temperature.

  15. Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.

    PubMed

    Knez, Damijan; Brus, Boris; Coquelle, Nicolas; Sosi?, Izidor; ink, Roman; Brazzolotto, Xavier; Mravljak, Janez; Colletier, Jacques-Philippe; Gobec, Stanislav

    2015-08-01

    Tremendous efforts have been dedicated to the development of effective therapeutics against Alzheimer's disease, which represents the most common debilitating neurodegenerative disease. Multifunctional agents are molecules designed to have simultaneous effects on different pathological processes. Such compounds represent an emerging strategy for the development of effective treatments against Alzheimer's disease. Here, we report on the synthesis and biological evaluation of a series of nitroxoline-based analogs that were designed by merging the scaffold of 8-hydroxyquinoline with that of a known selective butyrylcholinesterase inhibitor that has promising anti-Alzheimer properties. Most strikingly, compound 8g inhibits self-induced aggregation of the amyloid beta peptide (A?1-42), inhibits with sub-micromolar potency butyrylcholinesterase (IC50=215 nM), and also selectively complexes Cu(2+). Our study thus designates this compound as a promising multifunctional agent for therapeutic treatment of Alzheimer's disease. The crystal structure of human butyrylcholinesterase in complex with compound 8g is also solved, which suggests ways to further optimize compounds featuring the 8-hydroxyquinoline scaffold. PMID:26116179

  16. Study on utilization of advanced composites in commercial aircraft wing structures, volume 2

    NASA Technical Reports Server (NTRS)

    Sakata, I. F.; Ostrom, R. B.

    1978-01-01

    A plan is defined for a composite wing development effort which will assist commercial transport manufacturers in reaching a level of technology readiness where the utilization of composite wing structure is a cost competitive option for a new aircraft production plan. The recommended development effort consists of two programs: a joint government/industry material development program and a wing structure development program. Both programs are described in detail.

  17. Assessment of Multiple Physician Competencies in Postgraduate Training: Utility of the Structured Oral Examination

    ERIC Educational Resources Information Center

    Jefferies, Ann; Simmons, Brian; Ng, Eugene; Skidmore, Martin

    2011-01-01

    Competency based medical education involves assessing physicians-in-training in multiple roles. Training programs are challenged by the need to introduce appropriate yet feasible assessment methods. We therefore examined the utility of a structured oral examination (SOE) in the assessment of the 7 CanMEDS roles (Medical Expert, Communicator,

  18. Advances in template-based protein docking by utilizing interfaces towards completing structural interactome.

    PubMed

    Muratcioglu, Serena; Guven-Maiorov, Emine; Keskin, Özlem; Gursoy, Attila

    2015-12-01

    The increase in the number of structurally determined protein complexes strengthens template-based docking (TBD) methods for modelling protein-protein interactions (PPIs). These methods utilize the known structures of protein complexes as templates to predict the quaternary structure of the target proteins. The templates may be partial or complete structures. Interface based (partial) methods have recently gained interest due in part to the observation that the interface regions are reusable. We describe how available template interfaces can be used to obtain the structural models of protein interactions. Despite the agreement that a majority of the protein complexes can be modelled using the available Protein Data Bank (PDB) structures, a handful of studies argue that we need more template proteins to increase the structural coverage of PPIs. We also discuss the performance of the interface TBD methods at large scale, and the significance of capturing multiple conformations for improving accuracy. PMID:26539658

  19. Impacts of Commercial Electric Utility Rate Structure Elements on the Economics of Photovoltaic Systems

    SciTech Connect

    Ong, S.; Denholm, P.; Doris, E.

    2010-06-01

    This analysis uses simulated building data, simulated solar photovoltaic (PV) data, and actual electric utility tariff data from 25 cities to understand better the impacts of different commercial rate structures on the value of solar PV systems. By analyzing and comparing 55 unique rate structures across the United States, this study seeks to identify the rate components that have the greatest effect on the value of PV systems. Understanding the beneficial components of utility tariffs can both assist decision makers in choosing appropriate rate structures and influence the development of rates that favor the deployment of PV systems. Results from this analysis show that a PV system's value decreases with increasing demand charges. Findings also indicate that time-of-use rate structures with peaks coincident with PV production and wide ranges between on- and off-peak prices most benefit the types of buildings and PV systems simulated. By analyzing a broad set of rate structures from across the United States, this analysis provides an insight into the range of impacts that current U.S. rate structures have on PV systems.

  20. Structural analysis and design of a faceted stretched membrane dish concentrator for utility scale use

    SciTech Connect

    Sandubrae, J.A.; Beninga, K.J.; Halford, J.G.

    1995-11-01

    Science Applications International Corporation (SAIC) has a contract with the US Department of Energy (DOE) through Sandia National Laboratories to develop a commercial 25 kW{sub e} solar thermal power system using a dish concentrator and a Stirling engine. The program duration is five years, and is divided into three phases. The program is a joint-venture funded equally by DOE and the industry participants, including several utilities. The project goal is to commercialize the technology by the late 1990`s for utility applications in the US and around the world. This paper presents the approach to the development of the solar concentrator. With goals of low cost, low weight, and high performance, the concentrator design has incorporated many unique and innovative concepts. The analysis methodology used in the structural design is described in detail including design criteria, wind load development, and modeling techniques. Procedures for the conversion of structural deformations into optical performance characteristics are also presented.

  1. Effects of a major earthquake on the PEP housing, structures, and utilities

    SciTech Connect

    Weidner, H.

    1990-08-01

    The PEP tunnel, above-ground structures, and utility structures have been designed to withstand a major earthquake. This means they will experience minor or moderate damage in an earthquake which will cause widespread devastation in the surrounding region. The earthquake on October 17, 1989, which was not very severe locally, caused no damage to the PEP tunnel, buildings, or utilities. There was apparently some permanent displacement of the PEP tunnel. The PEP ring magnets moved enough to require re-alignment. A major earthquake will probably cause sufficient displacement of the PEP tunnel and magnet systems to necessitate extensive re-alignment. This may be the dominant factor determining the length of the shutdown after the quake.

  2. A study on the utilization of advanced composites in commercial aircraft wing structure

    NASA Technical Reports Server (NTRS)

    Watts, D. J.

    1978-01-01

    A study was conducted to define the technology and data needed to support the introduction of advanced composite materials in the wing structure of future production aircraft. The study accomplished the following: (1) definition of acceptance factors, (2) identification of technology issues, (3) evaluation of six candidate wing structures, (4) evaluation of five program options, (5) definition of a composite wing technology development plan, (6) identification of full-scale tests, (7) estimation of program costs for the total development plan, (8) forecast of future utilization of composites in commercial transport aircraft and (9) identification of critical technologies for timely program planning.

  3. Amazon forest structure generates diurnal and seasonal variability in light utilization

    NASA Astrophysics Data System (ADS)

    Morton, D. C.; Rubio, J.; Cook, B. D.; Gastellu-Etchegorry, J.-P.; Longo, M.; Choi, H.; Hunter, M. O.; Keller, M.

    2015-12-01

    The complex three-dimensional (3-D) structure of tropical forests generates a diversity of light environments for canopy and understory trees. Understanding diurnal and seasonal changes in light availability is critical for interpreting measurements of net ecosystem exchange and improving ecosystem models. Here, we used the Discrete Anisotropic Radiative Transfer (DART) model to simulate leaf absorption of photosynthetically active radiation (lAPAR) for an Amazon forest. The 3-D model scene was developed from airborne lidar data, and local measurements of leaf reflectance, aerosols, and PAR were used to model lAPAR under direct and diffuse illumination conditions. Simulated lAPAR under clear sky and cloudy conditions was corrected for light saturation effects to estimate light utilization, the fraction of lAPAR available for photosynthesis. Although the fraction of incoming PAR absorbed by leaves was consistent throughout the year (0.80-0.82), light utilization varied seasonally (0.67-0.74), with minimum values during the Amazon dry season. Shadowing and light saturation effects moderated potential gains in forest productivity from increasing PAR during dry season months when the diffuse fraction from clouds and aerosols was low. Comparisons between DART and other models highlighted the role of 3-D forest structure to account for seasonal changes in light utilization. Our findings highlight how directional illumination and forest 3-D structure combine to influence diurnal and seasonal variability in light utilization, independent of further changes in leaf area, leaf age, or environmental controls on canopy photosynthesis. Changing illumination geometry constitutes an alternative biophysical explanation for observed seasonality in Amazon forest productivity without changes in canopy phenology.

  4. Finite element prediction of seismic response modification of monumental structures utilizing base isolation

    NASA Astrophysics Data System (ADS)

    Spanos, Konstantinos; Anifantis, Nikolaos; Kakavas, Panayiotis

    2015-05-01

    The analysis of the mechanical behavior of ancient structures is an essential engineering task concerning the preservation of architectural heritage. As many monuments of classical antiquity are located in regions of earthquake activity, the safety assessment of these structures, as well as the selection of possible restoration interventions, requires numerical models capable of correctly representing their seismic response. The work presented herein was part of a research project in which a better understanding of the dynamics of classical column-architrave structures was sought by means of numerical techniques. In this paper, the seismic behavior of ancient monumental structures with multi-drum classical columns is investigated. In particular, the column-architrave classical structure under strong ground excitations was represented by a finite element method. This approach simulates the individual rock blocks as distinct rigid blocks interconnected with slidelines and incorporates seismic isolation dampers under the basement of the structure. Sliding and rocking motions of individual stone blocks and drums are modeled utilizing non-linear frictional contact conditions. The seismic isolation is modeled through the application of pad bearings under the basement of the structure. These pads are interpreted by appropriate rubber and steel layers. Time domain analyses were performed, considering the geometric and material non-linear behavior at the joints and the characteristics of pad bearings. The deformation and failure modes of drum columns subject to seismic excitations of various types and intensities were analyzed. The adverse influence of drum imperfections on structural safety was also examined.

  5. Integrating models and data to estimate the structural reliability of utility poles during hurricanes.

    PubMed

    Han, Seung-Ryong; Rosowsky, David; Guikema, Seth

    2014-06-01

    Utility systems such as power and communication systems regularly experience significant damage and loss of service during hurricanes. A primary damage mode for these systems is failure of wooden utility poles that support conductors and communication lines. In this article, we present an approach for combining structural reliability models for utility poles with observed data on pole performance during past hurricanes. This approach, based on Bayesian updating, starts from an imperfect but informative prior and updates this prior with observed performance data. We consider flexural and foundation failure mechanisms in the prior, acknowledging that these are an incomplete, but still informative, subset of the possible failure mechanisms for utility poles during hurricanes. We show how a model-based prior can be updated with observed failure data, using pole failure data from Hurricane Katrina as a case study. The results of this integration of model-based estimates and observed performance data then offer a more informative starting point for power system performance estimation for hurricane conditions. PMID:23952685

  6. RTMPL: A structured programming and documentation utility for real-time multiprocessor simulations

    NASA Technical Reports Server (NTRS)

    Arpasi, D. J.

    1984-01-01

    The NASA Lewis Research Center is developing and evaluating experimental hardware and software systems to help meet future needs for real time simulations of air-breathing propulsion systems. The Real Time Multiprocessor Simulator (RTMPS) project is aimed at developing a prototype simulator system that uses multiple microprocessors to achieve the desired computing speed and accuracy at relatively low cost. Software utilities are being developed to provide engineering-level programming and interactive operation of the simulator. Two major software development efforts were undertaken in the RTMPS project. A real time multiprocessor operating system was developed to provide for interactive operation of the simulator. The second effort was aimed at developing a structured, high-level, engineering-oriented programming language and translator that would facilitate the programming of the simulator. The Real Time Multiprocessor Programming Language (RTMPL) allows the user to describe simulation tasks for each processor in a straight-forward, structured manner. The RTMPL utility acts as an assembly language programmer, translating the high-level simulation description into time-efficient assembly language code for the processors. The utility sets up all of the interfaces between the simulator hardware, firmware, and operating system.

  7. Process Developed for Fabricating Engineered Pore Structures for High- Fuel-Utilization Solid Oxide Fuel Cells

    NASA Technical Reports Server (NTRS)

    Sofie, Stephen W.; Cable, Thomas L.; Salamone, Sam M.

    2005-01-01

    Solid oxide fuel cells (SOFCs) have tremendous commercial potential because of their high efficiency, high energy density, and flexible fuel capability (ability to use fossil fuels). The drive for high-power-utilizing, ultrathin electrolytes (less than 10 microns), has placed an increased demand on the anode to provide structural support, yet allow sufficient fuel entry for sustained power generation. Concentration polarization, a condition where the fuel demand exceeds the supply, is evident in all commercial-based anode-supported cells, and it presents a significant roadblock to SOFC commercialization.

  8. A study on the utilization of advanced composites in commercial aircraft wing structure: Executive summary

    NASA Technical Reports Server (NTRS)

    Watts, D. J.

    1978-01-01

    The overall wing study objectives are to study and plan the effort by commercial transport aircraft manufacturers to accomplish the transition from current conventional materials and practices to extensive use of advanced composites in wings of aircraft that will enter service in the 1985-1990 time period. Specific wing study objectives are to define the technology and data needed to support an aircraft manufacturer's commitment to utilize composites primary wing structure in future production aircraft and to develop plans for a composite wing technology program which will provide the needed technology and data.

  9. [Effect of carbohydrate structure on glucose utilization and biosynthesis of lipids, proteins and glucagon in rats].

    PubMed

    Antonova, Zh V; Virovets, O A; Gapparov, M M

    1992-01-01

    It was established that utilization of labelled glucose depended on food carbohydrate structure. Saccharose increased 1.5-fold the labelling of lipids in the liver and lowered insignificantly glycogen labelling. Similar quantity of invert sugar sharply reduced glycogen labelling. When starch was substituted for corn syrup lipid labelling increased two-fold, while glycogen labelling decreased down to 26% of the control level. Lipid/glycogen labelling ratio in saccharose feeding was 2, in invert sugar--4, in corn syrup--17. PMID:1621380

  10. Attaching solar collectors to a structural framework utilizing a flexible clip

    DOEpatents

    Kruse, John S

    2014-03-25

    Methods and apparatuses described herein provide for the attachment of solar collectors to a structural framework in a solar array assembly. A flexible clip is attached to either end of each solar collector and utilized to attach the solar collector to the structural framework. The solar collectors are positioned to allow a member of the framework to engage a pair of flexible clips attached to adjacent solar collectors during assembly of the solar array. Each flexible clip may have multiple frame-engaging portions, each with a flange on one end to cause the flexible clip to deflect inward when engaged by the framework member during assembly and to guide each of the frame-engaging portions into contact with a surface of the framework member for attachment.

  11. Utilizing in-situ resources and 3D printing structures for a manned Mars mission

    NASA Astrophysics Data System (ADS)

    Kading, Benjamin; Straub, Jeremy

    2015-02-01

    This paper presents a manned Mars mission, which is based on the use of in-situ resources for the fabrication of structures. First, it provides an overview of the two-phase mission. In phase one, robotic construction units prepare a functional base for phase-two human habitation. Then, it describes a set of prospective structures that can be created utilizing additive manufacturing (commonly known as 3D printing) techniques and in situ materials. Next, the technological advancements required to allow this type of mission are considered and their feasibility is discussed. Specific focus is given to the topics of basalt 3D printing and the maintenance of the pressure environment. The process of the construction of the base is also discussed. Finally the proposed approach is analyzed through comparison to prior missions, before concluding.

  12. Vibration Based Wind Turbine Tower Foundation Design Utilizing Soil-Foundation-Structure Interaction

    NASA Astrophysics Data System (ADS)

    Al Satari, P. E. Mohamed; Hussain, S. E. Saif

    2008-07-01

    Wind turbines have been used to generate electricity as an alternative energy source to conventional fossil fuels. This case study is for multiple wind towers located at different villages in Alaska where severe arctic weather conditions exist. The towers are supported by two different types of foundations; large mat or deep piles foundations. Initially, a Reinforced Concrete (RC) mat foundation was utilized to provide the system with vertical and lateral support. Where soil conditions required it, a pile foundation solution was devised utilizing a 30? thick RC mat containing an embedded steel grillage of W18 beams supported by 20?-24? grouted or un-grouted piles. The mixing and casting of concrete in-situ has become the major source of cost and difficulty of construction at these remote Alaska sites. An all-steel foundation was proposed for faster installation and lower cost, but was found to impact the natural frequencies of the structural system by significantly softening the foundation system. The tower-foundation support structure thus became near-resonant with the operational frequencies of the wind turbine leading to a likelihood of structural instability or even collapse. A detailed 3D Finite-Element model of the original tower-foundation-pile system with RC foundation was created using SAP2000. Soil springs were included in the model based on soil properties obtained from the geotechnical consultant. The natural frequency from the model was verified against the tower manufacturer analytical and the experimental values. Where piles were used, numerous iterations were carried out to eliminate the need for the RC and optimize the design. An optimized design was achieved with enough separation between the natural and operational frequencies to prevent damage to the structural system eliminating the need for any RC encasement to the steel foundation or grouting to the piles.

  13. Trust-oriented Utility-based Community Structure in Multiagent Systems

    NASA Astrophysics Data System (ADS)

    Kastidou, Georgia; Cohen, Robin

    The problem we address in this chapter is how to design the community structure of a multiagent system in such a way that agents join the communities that will maximize their utility and communities accept the agents that will maximize their utility, towards a stable and productive multiagent system. In order to accomplish this goal, we propose allowing communities to exchange information about the reputability of agents. In particular, it agent a 1 exists in community c 1 and would now like to join c 2, c 2 will ask c 1 for the reputation rating of a 1 and then decide whether to allow the agent to join. Allowing for the sharing of reputation ratings then requires i) a method for determining the truthfulness of the reputation reports ii) an incentive mechanism to encourage the sharing of information iii) some consideration of privacy of information within the system. In order for agents to make effective selection of communities in which to participate, it is also ideal community enjoy and about the tendency for the community to be truthful, when it reports reputation ratings of agents. We present a reputation sharing system that promotes effective community structure, along with examples to demonstrate the benefit of this particular approach.

  14. Utilization of the Building-Block Approach in Structural Mechanics Research

    NASA Technical Reports Server (NTRS)

    Rouse, Marshall; Jegley, Dawn C.; McGowan, David M.; Bush, Harold G.; Waters, W. Allen

    2005-01-01

    In the last 20 years NASA has worked in collaboration with industry to develop enabling technologies needed to make aircraft safer and more affordable, extend their lifetime, improve their reliability, better understand their behavior, and reduce their weight. To support these efforts, research programs starting with ideas and culminating in full-scale structural testing were conducted at the NASA Langley Research Center. Each program contained development efforts that (a) started with selecting the material system and manufacturing approach; (b) moved on to experimentation and analysis of small samples to characterize the system and quantify behavior in the presence of defects like damage and imperfections; (c) progressed on to examining larger structures to examine buckling behavior, combined loadings, and built-up structures; and (d) finally moved to complicated subcomponents and full-scale components. Each step along the way was supported by detailed analysis, including tool development, to prove that the behavior of these structures was well-understood and predictable. This approach for developing technology became known as the "building-block" approach. In the Advanced Composites Technology Program and the High Speed Research Program the building-block approach was used to develop a true understanding of the response of the structures involved through experimentation and analysis. The philosophy that if the structural response couldn't be accurately predicted, it wasn't really understood, was critical to the progression of these programs. To this end, analytical techniques including closed-form and finite elements were employed and experimentation used to verify assumptions at each step along the way. This paper presents a discussion of the utilization of the building-block approach described previously in structural mechanics research and development programs at NASA Langley Research Center. Specific examples that illustrate the use of this approach are included from recent research and development programs for both subsonic and supersonic transports.

  15. Unique Structural Features and Sequence Motifs of Proline Utilization A (PutA)

    PubMed Central

    Singh, Ranjan K.; Tanner, John J.

    2013-01-01

    Proline utilization A proteins (PutAs) are bifunctional enzymes that catalyze the oxidation of proline to glutamate using spatially separated proline dehydrogenase and pyrroline-5-carboxylate dehydrogenase active sites. Here we use the crystal structure of the minimalist PutA from Bradyrhizobium japonicum (BjPutA) along with sequence analysis to identify unique structural features of PutAs. This analysis shows that PutAs have secondary structural elements and domains not found in the related monofunctional enzymes. Some of these extra features are predicted to be important for substrate channeling in BjPutA. Multiple sequence alignment analysis shows that some PutAs have a 17-residue conserved motif in the C-terminal 2030 residues of the polypeptide chain. The BjPutA structure shows that this motif helps seal the internal substrate-channeling cavity from the bulk medium. Finally, it is shown that some PutAs have a 100200 residue domain of unknown function in the C-terminus that is not found in minimalist PutAs. Remote homology detection suggests that this domain is homologous to the oligomerization beta-hairpin and Rossmann fold domain of BjPutA. PMID:22201760

  16. Unique structural features and sequence motifs of proline utilization A (PutA).

    PubMed

    Singh, Ranjan K; Tanner, John J

    2012-01-01

    Proline utilization A proteins (PutAs) are bifunctional enzymes that catalyze the oxidation of proline to glutamate using spatially separated proline dehydrogenase and pyrroline-5-carboxylate dehydrogenase active sites. Here we use the crystal structure of the minimalist PutA from Bradyrhizobium japonicum (BjPutA) along with sequence analysis to identify unique structural features of PutAs. This analysis shows that PutAs have secondary structural elements and domains not found in the related monofunctional enzymes. Some of these extra features are predicted to be important for substrate channeling in BjPutA. Multiple sequence alignment analysis shows that some PutAs have a 17-residue conserved motif in the C-terminal 20-30 residues of the polypeptide chain. The BjPutA structure shows that this motif helps seal the internal substrate-channeling cavity from the bulk medium. Finally, it is shown that some PutAs have a 100-200 residue domain of unknown function in the C-terminus that is not found in minimalist PutAs. Remote homology detection suggests that this domain is homologous to the oligomerization beta-hairpin and Rossmann fold domain of BjPutA. PMID:22201760

  17. Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum

    PubMed Central

    Srivastava, Dhiraj; Schuermann, Jonathan P.; White, Tommi A.; Krishnan, Navasona; Sanyal, Nikhilesh; Hura, Greg L.; Tan, Anmin; Henzl, Michael T.; Becker, Donald F.; Tanner, John J.

    2010-01-01

    The bifunctional proline catabolic flavoenzyme, proline utilization A (PutA), catalyzes the oxidation of proline to glutamate via the sequential activities of FAD-dependent proline dehydrogenase (PRODH) and NAD+-dependent ?1-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Although structures for some of the domains of PutA are known, a structure for the full-length protein has not previously been solved. Here we report the 2.1? resolution crystal structure of PutA from Bradyrhizobium japonicum, along with data from small-angle x-ray scattering, analytical ultracentrifugation, and steady-state and rapid-reaction kinetics. PutA forms a ring-shaped tetramer in solution having a diameter of 150?. Within each protomer, the PRODH and P5CDH active sites face each other at a distance of 41? and are connected by a large, irregularly shaped cavity. Kinetics measurements show that glutamate production occurs without a lag phase, suggesting that the intermediate, ?1-pyrroline-5-carboxylate, is preferably transferred to the P5CDH domain rather than released into the bulk medium. The structural and kinetic data imply that the cavity serves both as a microscopic vessel for the hydrolysis of ?1-pyrroline-5-carboxylate to glutamate semialdehyde and a protected conduit for the transport of glutamate semialdehyde to the P5CDH active site. PMID:20133651

  18. Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum

    SciTech Connect

    Srivastava, Dhiraj; Schuermann, Jonathan P.; White, Tommi A.; Krishnan, Navasona; Sanyal, Nikhilesh; Hura, Greg L.; Tan, Anmin; Henzl, Michael T.; Becker, Donald F.; Tanner, John J.

    2010-04-26

    The bifunctional proline catabolic flavoenzyme, proline utilization A (PutA), catalyzes the oxidation of proline to glutamate via the sequential activities of FAD-dependent proline dehydrogenase (PRODH) and NAD{sup +}-dependent {Delta}{sup 1}-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Although structures for some of the domains of PutA are known, a structure for the full-length protein has not previously been solved. Here we report the 2.1 {angstrom} resolution crystal structure of PutA from Bradyrhizobium japonicum, along with data from small-angle x-ray scattering, analytical ultracentrifugation, and steady-state and rapid-reaction kinetics. PutA forms a ring-shaped tetramer in solution having a diameter of 150 {angstrom}. Within each protomer, the PRODH and P5CDH active sites face each other at a distance of 41 {angstrom} and are connected by a large, irregularly shaped cavity. Kinetics measurements show that glutamate production occurs without a lag phase, suggesting that the intermediate, {Delta}{sup 1}-pyrroline-5-carboxylate, is preferably transferred to the P5CDH domain rather than released into the bulk medium. The structural and kinetic data imply that the cavity serves both as a microscopic vessel for the hydrolysis of {Delta}{sup 1}-pyrroline-5-carboxylate to glutamate semialdehyde and a protected conduit for the transport of glutamate semialdehyde to the P5CDH active site.

  19. Structural and spectroscopic characterizations of tetra-nuclear niobium(V) complexes of quinolinol derivatives

    NASA Astrophysics Data System (ADS)

    Amini, Mostafa M.; Fazaeli, Yousef; Mohammadnezhad, Gholamhossein; Khavasi, Hamid Reza

    2015-06-01

    Reactions between niobium ethoxide and 8-hydroxy-2-methylquinoline or 5-chloro-8-hydroxyquinoline have been explored. Two new tetranuclear heteroleptic niobium complexes containing oxo, ethoxo, and quinolinate chelate rings have been synthesized and characterized by 1H, 13C and 93Nb NMR, UV-Vis, and FT-IR spectroscopies, and single-crystal X-ray diffraction. The molecular structures of the niobium complexes, [Nb4(?-O)4(?-OEt)2(ONC10H8)2(OEt)8] (I) and [Nb4(?-O)4(?-OEt)2(ONC9H5Cl)2(OEt)8] (II), are composed of a pair of edge-sharing bioctahedral moieties in which connected via two almost linear oxo-bridges, with a large difference in the NbO distances. Single-crystal structures showed both complexes are centrosymmetric and contain two distinct Nb centers, and results confirmed by observation of two niobium signals in the 93Nb NMR spectra of complexes.

  20. Changes in Microbial Community Structure and Carbon Utilization Patterns in Response to Woody Encroachment into Grasslands

    NASA Astrophysics Data System (ADS)

    Creamer, C. A.; Filley, T. R.; Boutton, T. W.

    2012-12-01

    Land cover changes occurring in dryland ecosystems, such as woody encroachment, can moderate microbial activity and alter the flow of C and N between litter and soil, ultimately impacting soil organic carbon (SOC) dynamics. We analyzed the quantity and isotopic composition of microbial phospholipids along a grassland-to-woodland successional chronosequence in southern Texas to determine how microbial community structure and SOC utilization patterns responded to the extent of woody encroachment across two sampling seasons (Spring and Fall). Woody encroachment resulted in significant increases in total microbial biomass and fungal:bacterial ratios along with significant decreases in the ratio of gram-positive:gram-negative bacteria. Compound-specific 13C analysis of microbial phospholipids revealed that gram-negative bacteria and fungi were preferentially utilizing newer, C3-derived inputs, while other microbial groups generally showed no preferential incorporation of newer or older C. This preferential use of newer C in gram-negative bacteria and fungi, combined with their increasing relative abundance, reveals that these microbial groups are most responsive to biogeochemical changes elicited by woody encroachment, potentially to enhanced rhizosphere development or changes in the chemical stability of C inputs. This research provides important information regarding the links between changing plant cover, SOC accrual, and microbial activity in response to a globally relevant environmental perturbation.

  1. Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17*

    PubMed Central

    Chekan, Jonathan R.; Kwon, In Hyuk; Agarwal, Vinayak; Dodd, Dylan; Revindran, Vanessa; Mackie, Roderick I.; Cann, Isaac; Nair, Satish K.

    2014-01-01

    Hemicelluloses, the polysaccharide component of plant cell walls, represent one of the most abundant biopolymers in nature. The most common hemicellulosic constituents of softwoods, such as conifers and cycads, are mannans consisting of a 1,4-linked ?-mannopyranosyl main chain with branch decorations. Efforts toward the utilization of hemicellulose for bioconversion into cellulosic biofuels have resulted in the identification of several families of glycoside hydrolases that can degrade mannan. However, effective biofermentation of manno-oligosaccharides is limited by a lack of appropriate uptake route in ethanologenic organisms. Here, we used transcriptome sequencing to gain insights into mannan degradation by the thermophilic anaerobic bacterium Caldanaerobius polysaccharolyticus. The most highly up-regulated genes during mannan fermentation occur in a cluster containing several genes encoding enzymes for efficient mannan hydrolysis as well as a solute-binding protein (CpMnBP1) that exhibits specificity for short mannose polymers but exhibited the flexibility to accommodate branched polysaccharide decorations. Co-crystal structures of CpMnBP1 in complex with mannobiose (1.4- resolution) and mannotriose (2.2- resolution) revealed the molecular rationale for chain length and oligosaccharide specificity. Calorimetric analysis of several active site variants confirmed the roles of residues critical to the function of CpMnBP1. This work represents the first biochemical characterization of a mannose-specific solute-binding protein and provides a framework for engineering mannan utilization capabilities for microbial fermentation. PMID:25342756

  2. Structural and biochemical basis for mannan utilization by Caldanaerobius polysaccharolyticus strain ATCC BAA-17.

    PubMed

    Chekan, Jonathan R; Kwon, In Hyuk; Agarwal, Vinayak; Dodd, Dylan; Revindran, Vanessa; Mackie, Roderick I; Cann, Isaac; Nair, Satish K

    2014-12-12

    Hemicelluloses, the polysaccharide component of plant cell walls, represent one of the most abundant biopolymers in nature. The most common hemicellulosic constituents of softwoods, such as conifers and cycads, are mannans consisting of a 1,4-linked ?-mannopyranosyl main chain with branch decorations. Efforts toward the utilization of hemicellulose for bioconversion into cellulosic biofuels have resulted in the identification of several families of glycoside hydrolases that can degrade mannan. However, effective biofermentation of manno-oligosaccharides is limited by a lack of appropriate uptake route in ethanologenic organisms. Here, we used transcriptome sequencing to gain insights into mannan degradation by the thermophilic anaerobic bacterium Caldanaerobius polysaccharolyticus. The most highly up-regulated genes during mannan fermentation occur in a cluster containing several genes encoding enzymes for efficient mannan hydrolysis as well as a solute-binding protein (CpMnBP1) that exhibits specificity for short mannose polymers but exhibited the flexibility to accommodate branched polysaccharide decorations. Co-crystal structures of CpMnBP1 in complex with mannobiose (1.4- resolution) and mannotriose (2.2- resolution) revealed the molecular rationale for chain length and oligosaccharide specificity. Calorimetric analysis of several active site variants confirmed the roles of residues critical to the function of CpMnBP1. This work represents the first biochemical characterization of a mannose-specific solute-binding protein and provides a framework for engineering mannan utilization capabilities for microbial fermentation. PMID:25342756

  3. Synthesis and Structure of Fully Conjugated Block Copolymers Utilized in Organic Photovoltaics

    NASA Astrophysics Data System (ADS)

    Lee, Youngmin; Aplan, Melissa; Wang, Qing; Gomez, Enrique D.

    2015-03-01

    Fully conjugated block copolymers have the potential to overcome many of the limitations of mixtures and blends as photoactive layers in solar cells; furthermore, they may serve as model systems to study fundamental questions regarding optoelectric properties and charge transfer. However, the synthesis of fully conjugated block copolymers remains a challenging issue in the fieldchallenge. We have optimized the two-step synthesis of P3HT-b-PFTBT, which is composed comprised of Grignard metathesis for polymerization of P3HT followed by chain extension through a Suzuki-Miyaura polycondenstation. We find that the concentration of the Grignard reagent is critical for end-group control such that P3HT is terminated by H at one end and Br at the other. Furthermore, we can utilize an asymmetric feed ratio of monomers for the Suzuki-Miyaura reaction to minimize the amount of uncoupled homopolymers and to control the molecular weight of the second block. We investigated the chemical composition, structure and electrical characteristics of the polymers prepared by the different synthetic methods, and demonstrate that we can utilize these strategies for the synthesis of block copolymers beyond P3HT-b-PFTBT.

  4. Structural Basis of Transcriptional Regulation of the Proline Utilization Regulon by Multifunctional PutA

    PubMed Central

    Zhou, Yuzhen; Larson, John D.; Bottoms, Christopher A.; Arturo, Emilia C.; Henzl, Michael T.; Jenkins, Jermaine L.; Nix, Jay C.; Becker, Donald F.; Tanner, John J.

    2009-01-01

    Summary The multifunctional Escherichia coli PutA flavoprotein functions as both a membrane-associated proline catabolic enzyme and transcriptional repressor of the proline utilization genes putA and putP. To better understand the mechanism of transcriptional regulation by PutA, we have mapped the put regulatory region, determined a crystal structure of the PutA ribbon-helix-helix domain (PutA52) complexed with DNA and examined the thermodynamics of DNA binding to PutA52. Five operator sites, each containing the sequence motif 5?-GTTGCA-3?, were identified using gel-shift analysis. Three of the sites are shown to be critical for repression of putA, whereas the two other sites are important for repression of putP. The 2.25 resolution crystal structure of PutA52 bound to one of the operators (operator 2, 21-bp) shows that the protein contacts a 9-bp fragment, corresponding to the GTTGCA consensus motif plus three flanking base pairs. Since the operator sequences differ in flanking bases, the structure implies that PutA may have different affinities for the five operators. This hypothesis was explored using isothermal titration calorimetry. The binding of PutA52 to operator 2 is exothermic with an enthalpy of ?1.8 kcal/mol and a dissociation constant of 210 nM. Substitution of the flanking bases of operator 4 into operator 2 results in an unfavorable enthalpy of 0.2 kcal/mol and 15-fold lower affinity, which shows that base pairs outside of the consensus motif impact binding. The structural and thermodynamic data suggest that hydrogen bonds between Lys9 and bases adjacent to the GTTGCA motif contribute to transcriptional regulation by fine-tuning the affinity of PutA for put control operators. PMID:18586269

  5. Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A

    PubMed Central

    2015-01-01

    Proline utilization A from Bradyrhizobium japonicum (BjPutA) is a bifunctional flavoenzyme that catalyzes the oxidation of proline to glutamate using fused proline dehydrogenase (PRODH) and ?1-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Recent crystal structures and kinetic data suggest an intramolecular channel connects the two active sites, promoting substrate channeling of the intermediate ?1-pyrroline-5-carboxylate/glutamate-?-semialdehyde (P5C/GSA). In this work, the structure of the channel was explored by inserting large side chain residues at four positions along the channel in BjPutA. Kinetic analysis of the different mutants revealed replacement of D779 with Tyr (D779Y) or Trp (D779W) significantly decreased the overall rate of the PRODHP5CDH channeling reaction. X-ray crystal structures of D779Y and D779W revealed that the large side chains caused a constriction in the central section of the tunnel, thus likely impeding the travel of P5C/GSA in the channel. The D779Y and D779W mutants have PRODH activity similar to that of wild-type BjPutA but exhibit significantly lower P5CDH activity, suggesting that exogenous P5C/GSA enters the channel upstream of Asp779. Replacement of nearby Asp778 with Tyr (D778Y) did not impact BjPutA channeling activity. Consistent with the kinetic results, the X-ray crystal structure of D778Y shows that the main channel pathway is not impacted; however, an off-cavity pathway is closed off from the channel. These findings provide evidence that the off-cavity pathway is not essential for substrate channeling in BjPutA. PMID:25046425

  6. Kinetic and structural characterization of tunnel-perturbing mutants in Bradyrhizobium japonicum proline utilization A.

    PubMed

    Arentson, Benjamin W; Luo, Min; Pemberton, Travis A; Tanner, John J; Becker, Donald F

    2014-08-12

    Proline utilization A from Bradyrhizobium japonicum (BjPutA) is a bifunctional flavoenzyme that catalyzes the oxidation of proline to glutamate using fused proline dehydrogenase (PRODH) and ?(1)-pyrroline-5-carboxylate dehydrogenase (P5CDH) domains. Recent crystal structures and kinetic data suggest an intramolecular channel connects the two active sites, promoting substrate channeling of the intermediate ?(1)-pyrroline-5-carboxylate/glutamate-?-semialdehyde (P5C/GSA). In this work, the structure of the channel was explored by inserting large side chain residues at four positions along the channel in BjPutA. Kinetic analysis of the different mutants revealed replacement of D779 with Tyr (D779Y) or Trp (D779W) significantly decreased the overall rate of the PRODH-P5CDH channeling reaction. X-ray crystal structures of D779Y and D779W revealed that the large side chains caused a constriction in the central section of the tunnel, thus likely impeding the travel of P5C/GSA in the channel. The D779Y and D779W mutants have PRODH activity similar to that of wild-type BjPutA but exhibit significantly lower P5CDH activity, suggesting that exogenous P5C/GSA enters the channel upstream of Asp779. Replacement of nearby Asp778 with Tyr (D778Y) did not impact BjPutA channeling activity. Consistent with the kinetic results, the X-ray crystal structure of D778Y shows that the main channel pathway is not impacted; however, an off-cavity pathway is closed off from the channel. These findings provide evidence that the off-cavity pathway is not essential for substrate channeling in BjPutA. PMID:25046425

  7. Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus

    PubMed Central

    Naas, A.E.; MacKenzie, A.K.; Dalhus, B.; Eijsink, V.G.H.; Pope, P.B.

    2015-01-01

    Previous gene-centric analysis of a cow rumen metagenome revealed the first potentially cellulolytic polysaccharide utilization locus, of which the main catalytic enzyme (AC2aCel5A) was identified as a glycoside hydrolase (GH) family 5 endo-cellulase. Here we present the 1.8 Å three-dimensional structure of AC2aCel5A, and characterization of its enzymatic activities. The enzyme possesses the archetypical (β/α)8-barrel found throughout the GH5 family, and contains the two strictly conserved catalytic glutamates located at the C-terminal ends of β-strands 4 and 7. The enzyme is active on insoluble cellulose and acts exclusively on linear β-(1,4)-linked glucans. Co-crystallization of a catalytically inactive mutant with substrate yielded a 2.4 Å structure showing cellotriose bound in the −3 to −1 subsites. Additional electron density was observed between Trp178 and Trp254, two residues that form a hydrophobic “clamp”, potentially interacting with sugars at the +1 and +2 subsites. The enzyme’s active-site cleft was narrower compared to the closest structural relatives, which in contrast to AC2aCel5A, are also active on xylans, mannans and/or xyloglucans. Interestingly, the structure and function of this enzyme seem adapted to less-substituted substrates such as cellulose, presumably due to the insufficient space to accommodate the side-chains of branched glucans in the active-site cleft. PMID:26133573

  8. Relations between Brain Structure and Attentional Function in Spina Bifida: Utilization of Robust Statistical Approaches

    PubMed Central

    Kulesz, Paulina A.; Tian, Siva; Juranek, Jenifer; Fletcher, Jack M.; Francis, David J.

    2015-01-01

    Objective Weak structure-function relations for brain and behavior may stem from problems in estimating these relations in small clinical samples with frequently occurring outliers. In the current project, we focused on the utility of using alternative statistics to estimate these relations. Method Fifty-four children with spina bifida meningomyelocele performed attention tasks and received MRI of the brain. Using a bootstrap sampling process, the Pearson product moment correlation was compared with four robust correlations: the percentage bend correlation, the Winsorized correlation, the skipped correlation using the Donoho-Gasko median, and the skipped correlation using the minimum volume ellipsoid estimator Results All methods yielded similar estimates of the relations between measures of brain volume and attention performance. The similarity of estimates across correlation methods suggested that the weak structure-function relations previously found in many studies are not readily attributable to the presence of outlying observations and other factors that violate the assumptions behind the Pearson correlation. Conclusions Given the difficulty of assembling large samples for brain-behavior studies, estimating correlations using multiple, robust methods may enhance the statistical conclusion validity of studies yielding small, but often clinically significant, correlations. PMID:25495830

  9. Utilizing electron microscopy and spectroscopy methods to understand water structure and water doping

    NASA Astrophysics Data System (ADS)

    Miller, Lior

    Water is the second most common element in the universe and the most studied material on earth. Most of the studies concerning water are from the fields of chemistry and biology. Hence, the structure of water molecules and short range order and interactions are well characterized and understood. However, the collective arrangement of water molecules and the long range order are still missing. Understanding of this long range order in water is needed, as it is the key to many water activities. To fill this gap, this study utilizes a new direct method for characterization of water in the vapor phase. Water samples from different water types were characterized using electron energy loss spectroscopy (EELS) within a transmission electron microscope (TEM). Prior to characterizing water vapor, the measurement method for in-situ gas analysis was developed using pure gases. Water samples were also characterized using more conventional techniques, including: using cryogenic scanning electron microscopy (Cryo-SEM) in the solid state, after rapid freezing; and using high resolution TEM (HRTEM) and scanning TEM (STEM) after drying. Many other characterization techniques were evaluated but most of them were found to be not suitable, mainly due to detection limits. EELS characterization showed that samples from different water types have different electronic configurations, and they all have structures that are large enough in order to scatter electrons. From cryo SEM characterization it was found that water has nanoparticles inside with a size range of 10-100 nm, and these particles are ~500 nm apart. HRTEM/STEM characterization showed that particles from different water types have different shapes. The presence of particles provide surfaces to support water structures and the difference between the particles can explain the different properties of different water types Using tools and methods that are conventional in materials science for characterization of bulk materials and long range orders, resulted in characterization of water clusters that are significantly larger than what was known until now. By this we contribute a new point of view for water structure, which together with new insights on water properties can potentially advance later use of water as an active ingredient.

  10. Effect of questionnaire structure on recall of drug utilization in a population of university students

    PubMed Central

    2009-01-01

    Background Self-reported data are a common source of information about drug exposure. Modes of data collection differ considerably and the questionnaire's structure may affect prevalence estimates. We compared the recall of medication use evaluated by means of two questionnaires differing in structure and length. Methods Drug utilization was assessed by two alternative versions of a questionnaire (A 4 pages, including specific questions for 12 indications/pharmacological groups and one question for "other medicines"; B 1 page, including 1 open-ended question to cover overall drug consumption). Each of 32 classes in a private University in Maputo, Mozambique, was randomly assigned questionnaire A (233 participants) or B (276 participants). Logistic regression (allowing for clustering by classroom) was used to compare the two groups in terms of socio-demographic characteristics and medication used during the previous month. Results Overall, 67.4% of the subjects had used at least one drug during the previous month. The following prevalences were greater among participants completing questionnaire A: use of drugs from two or more pharmacological groups (60.5% vs. 34.4%, p < 0.001), use of two or more drugs (66.2% vs. 43.0%, p < 0.001), and use of antibiotics (14.6% vs. 6.9%, p = 0.001), antifungals (9.4% vs. 4.0%, p = 0.013), antiparasitics (5.6% vs. 1.8%, p = 0.031) and antacids (8.6% vs. 3.6%, p = 0.024). Information about duration of treatment and medical advice was more complete with version A. Conclusion The indication/drug-specific questions (questionnaire A) revealed a significantly higher prevalence of use of medicines antibiotics, antifungals, antiparasitics and antacids without compromising the completeness of the information. PMID:19563651

  11. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design.

    PubMed

    Massey, Andrew J; Stokes, Stephen; Browne, Helen; Foloppe, Nicolas; Fiumana, Andre; Scrace, Simon; Fallowfield, Mandy; Bedford, Simon; Webb, Paul; Baker, Lisa; Christie, Mark; Drysdale, Martin J; Wood, Mike

    2015-11-01

    Chk1 kinase is a critical component of the DNA damage response checkpoint especially in cancer cells and targeting Chk1 is a potential therapeutic opportunity for potentiating the anti-tumor activity of DNA damaging chemotherapy drugs. Fragment elaboration by structure guided design was utilized to identify and develop a novel series of Chk1 inhibitors culminating in the identification of V158411, a potent ATP-competitive inhibitor of the Chk1 and Chk2 kinases. V158411 abrogated gemcitabine and camptothecin induced cell cycle checkpoints, resulting in the expected modulation of cell cycle proteins and increased cell death in cancer cells. V158411 potentiated the cytotoxicity of gemcitabine, cisplatin, SN38 and camptothecin in a variety of p53 deficient human tumor cell lines in vitro, p53 proficient cells were unaffected. In nude mice, V158411 showed minimal toxicity as a single agent and in combination with irinotecan. In tumor bearing animals, V158411 was detected at high levels in the tumor with a long elimination half-life; no pharmacologically significant in vivo drug-drug interactions with irinotecan were identified through analysis of the pharmacokinetic profiles. V158411 potentiated the anti-tumor activity of irinotecan in a variety of human colon tumor xenograft models without additional systemic toxicity. These results demonstrate the opportunity for combining V158411 with standard of care chemotherapeutic agents to potentiate the therapeutic efficacy of these agents without increasing their toxicity to normal cells. Thus, V158411 would warrant further clinical evaluation. PMID:26437226

  12. Structural and Function Correlation of Cone Packing Utilizing Adaptive Optics and Microperimetry

    PubMed Central

    Supriya, Dabir; Shwetha, Mangalesh; Kiran Anupama, Kumar; Kummelil Mathew, Kurian; Berendschot, Tos T. J. M.; Schouten, Jan S. A. G.; Bharamshetter, Roopa; Naresh, Yadav K.; Rohit, Shetty; Hegde, Bharath

    2015-01-01

    Aim. To assess the functional aspects of cone mosaic and correlate cone packing with retinal sensitivity utilizing microperimetry in emmetropes at different eccentricities. Methods. Twenty-four healthy volunteers underwent microperimetry (MAIA Centervue, Italy) and assessment of photoreceptors using adaptive optics retinal camera, rtx1 (Imagine Eyes, Orsay, France), at 2 and 3 degrees from the foveal centre in 4 quadrants: superior, inferior, temporal, and nasal. Data was analyzed using SPSS version 17 (IBM). Spearman's correlation tests were used to establish correlation between mean cone packing density and retinal sensitivity at different quadrants. Results. Thirteen females and 11 males (age range 2040 years) were included. The cone density was found to be significantly different among all quadrants (temporal = 25786.68/mm2??4367.07/mm2, superior = 23009.35/mm2??5415.81/mm2, nasal = 22838.09/mm2??4166.22/mm2, and inferior = 21097.53/mm2??4235.84/mm2). A statistical significance (P < 0.008) was found between orthogonal meridians, that is, temporal, nasal (48624.77/mm2)> superior, inferior (44106.88/mm2). A drop in retinal sensitivity was observed as the eccentricity increased (P < 0.05). It was also found that as cone packing density decreased retinal sensitivity also decreased (P < 0.05) in all quadrants. This was observed at both 2 and 3 degrees. Conclusion. It is of crucial importance to establish normative variations in cone structure-function correlation. This may help in detection of subtle pathology and its early intervention. PMID:26167509

  13. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Ruth, M.; Pratt, A.; Lunacek, M.; Mittal, S.; Wu, H.; Jones, W.

    2015-06-15

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is not well understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load. used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load.

  14. Overcoming Structural Constraints to Patient Utilization of Electronic Medical Records: A Critical Review and Proposal for an Evaluation Framework

    PubMed Central

    Winkelman, Warren J.; Leonard, Kevin J.

    2004-01-01

    There are constraints embedded in medical record structure that limit use by patients in self-directed disease management. Through systematic review of the literature from a critical perspective, four characteristics that either enhance or mitigate the influence of medical record structure on patient utilization of an electronic patient record (EPR) system have been identified: environmental pressures, physician centeredness, collaborative organizational culture, and patient centeredness. An evaluation framework is proposed for use when considering adaptation of existing EPR systems for online patient access. Exemplars of patient-accessible EPR systems from the literature are evaluated utilizing the framework. From this study, it appears that traditional information system research and development methods may not wholly capture many pertinent social issues that arise when expanding access of EPR systems to patients. Critically rooted methods such as action research can directly inform development strategies so that these systems may positively influence health outcomes. PMID:14633932

  15. Restriction of enhanced (2-/sup 14/C)deoxyglucose utilization to rhinencephalic structures in immature amygdala-kindled rats

    SciTech Connect

    Ackermann, R.F.; Moshe, S.L.; Albala, B.J.

    1989-04-01

    Sixteen-day-old albino rat pups were kindled to varying degrees of seizure severity with amygdala stimulations spaced 15 to 20 min apart. Subsequently, each rat pup was injected (ip) with 10 microCi of (2-/sup 14/C)-deoxyglucose, and received several additional kindled seizures at regular intervals throughout the following 80 min, at which time it was killed and processed for deoxyglucose autoradiography. Increased seizure severity was associated with correspondingly increased deoxyglucose utilization in many rhinencephalic limbic structures. However, unlike adults, rat pups did not show discernibly increased neocortical, thalamic, or substantia nigra utilization. We postulate that the apparent confinement of seizure activity to limbic structures in pups is related to their relative lack of postictal seizure refractoriness, as well as to other indices of increased seizure susceptibility in immature animals.

  16. Integration and utilization of different visualization methods and devices in a structure-based drug design process

    NASA Astrophysics Data System (ADS)

    Grohn, Matti T.; Nyronen, Tommi N.

    2003-05-01

    Molecular visualization techniques are used in various stages in the computer-aided drug design process. Here, we report on utilization of a four wall immersive virtual room in the visualization of protein - drug complexes. The advantage of a virtual room compared to desktop graphics is that it provides a high-resolution large field of view, helping the observers of the visualization to dissect the individual important structural features more easily than while using only conventional molecular graphics visualizations.

  17. Suppression of structural imperfection in strained Si by utilizing SiGe bulk substrate

    SciTech Connect

    Usami, N.; Nose, Y.; Fujiwara, K.; Nakajima, K.

    2006-05-29

    We attempted to utilize homemade SiGe bulk crystal as a substrate for epitaxy of strain-controlled heterostructures. X-ray reciprocal space mapping clarified that the growth of a Si thin film on a SiGe bulk substrate leads to reduction in the orientation fluctuation compared with that on a SiGe virtual substrate. Furthermore, analysis of Raman spectra revealed a dramatic decrease of the strain fluctuation in the strained Si film on the SiGe bulk substrate. These results suggest that the SiGe bulk crystal can be utilized as a substrate for various strain-controlled heterostructures for fundamental studies as well as improvement of device performance.

  18. Creating a Test Validated Structural Dynamic Finite Element Model of the Multi-Utility Technology Test Bed Aircraft

    NASA Technical Reports Server (NTRS)

    Pak, Chan-Gi; Truong, Samson S.

    2014-01-01

    Small modeling errors in the finite element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of Multi Utility Technology Test Bed, X-56A, aircraft is the flight demonstration of active flutter suppression, and therefore in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of X-56A. The ground vibration test validated structural dynamic finite element model of the X-56A is created in this study. The structural dynamic finite element model of the X-56A is improved using a model tuning tool. In this study, two different weight configurations of the X-56A have been improved in a single optimization run.

  19. Accounting for the Hierarchical Structure in Veterans Health Administration Data: Differences in Healthcare Utilization between Men and Women Veterans.

    PubMed

    Allore, Heather G; Ning, Yuming; Brandt, Cynthia A; Goulet, Joseph L

    2013-01-01

    Women currently constitute 15% of active United States of America military service personnel, and this proportion is expected to double in the next 5 years. Previous research has shown that healthcare utilization and costs differ in women US Veterans Health Administration (VA) patients compared to men. However, none have accounted for the potential effects of clustering on their estimates of healthcare utilization. US Women Veterans are more likely to serve in specific military branches (e.g. Army), components (e.g. National Guard), and ranks (e.g. officer) than men. These factors may confer different risk and protection that can affect subsequent healthcare needs. Our study investigates the effects of accounting for the hierarchical structure of data on estimates of the association between gender and VA healthcare utilization. The sample consisted of data on 406,406 Veterans obtained from VA's Operation Enduring Freedom/Operation Iraqi Freedom roster provided by Defense Manpower Data Center - Contingency Tracking System Deployment File. We compared three statistical models, ordinary, fixed and random effects hierarchical logistic regression, in order to assess the association of gender with healthcare utilization, controlling for branch of service, component, rank, age, race, and marital status. Gender was associated with utilization in ordinary logistic and, but not in fixed effects hierarchical logistic or random effects hierarchical logistic regression models. This point out that incomplete inference could be drawn by ignoring the military structure that may influence combat exposure and subsequent healthcare needs. Researchers should consider modeling VA data using methods that account for the potential clustering effect of hierarchy. PMID:24910720

  20. Novel light trapping scheme for thin crystalline cells utilizing deep structures on both wafer sides

    SciTech Connect

    Jorgensen, A.M.; Clausen, T.; Leistiko, O.

    1997-12-31

    A new light trapping structure is presented with trapping capabilities comparable to or better than those of the perpendicular grooves structure. The new structure traps a larger fraction of rays for 8--80 passes than the perpendicular grooves structure. The average path length enhancement is about 62 times the average thickness. The structure consists of deep ({approximately}200 {micro}m) inverted pyramids on the front side and deep ({approximately}200 {micro}m) truncated pyramids with eight sides on the back. The structure is realized in crystalline silicon by wet chemical etching using potassium hydroxide (KOH) and isopropanol (IPA). A process for creating thin solar cells with this light trapping scheme is described. The process includes only two main photolithographic steps and features a self aligned front metallization. The process uses 250 {micro}m wafers to create cells that on average are about 70 {micro}m thick.

  1. Assessing the utility of coevolution-based residue-residue contact predictions in a sequence- and structure-rich era.

    PubMed

    Kamisetty, Hetunandan; Ovchinnikov, Sergey; Baker, David

    2013-09-24

    Recently developed methods have shown considerable promise in predicting residue-residue contacts in protein 3D structures using evolutionary covariance information. However, these methods require large numbers of evolutionarily related sequences to robustly assess the extent of residue covariation, and the larger the protein family, the more likely that contact information is unnecessary because a reasonable model can be built based on the structure of a homolog. Here we describe a method that integrates sequence coevolution and structural context information using a pseudolikelihood approach, allowing more accurate contact predictions from fewer homologous sequences. We rigorously assess the utility of predicted contacts for protein structure prediction using large and representative sequence and structure databases from recent structure prediction experiments. We find that contact predictions are likely to be accurate when the number of aligned sequences (with sequence redundancy reduced to 90%) is greater than five times the length of the protein, and that accurate predictions are likely to be useful for structure modeling if the aligned sequences are more similar to the protein of interest than to the closest homolog of known structure. These conditions are currently met by 422 of the protein families collected in the Pfam database. PMID:24009338

  2. Confirming the Factor Structure of the Cognitive Test Anxiety Scale: Comparing the Utility of Three Solutions

    ERIC Educational Resources Information Center

    Cassady, Jerrell C.; Finch, W. Holmes

    2014-01-01

    This study validated the factor structure of a popular assessment of learner's cognitive test anxiety. Following recent findings in a study with Argentinean students' use of the Spanish version of the Cognitive Test Anxiety Scale (CTAS), this study tested the factor structure using data from 742 students who completed the original

  3. The intellectual structure and substance of the knowledge utilization field: A longitudinal author co-citation analysis, 1945 to 2004

    PubMed Central

    Estabrooks, Carole A; Derksen, Linda; Winther, Connie; Lavis, John N; Scott, Shannon D; Wallin, Lars; Profetto-McGrath, Joanne

    2008-01-01

    Background It has been argued that science and society are in the midst of a far-reaching renegotiation of the social contract between science and society, with society becoming a far more active partner in the creation of knowledge. On the one hand, new forms of knowledge production are emerging, and on the other, both science and society are experiencing a rapid acceleration in new forms of knowledge utilization. Concomitantly since the Second World War, the science underpinning the knowledge utilization field has had exponential growth. Few in-depth examinations of this field exist, and no comprehensive analyses have used bibliometric methods. Methods Using bibliometric analysis, specifically first author co-citation analysis, our group undertook a domain analysis of the knowledge utilization field, tracing its historical development between 1945 and 2004. Our purposes were to map the historical development of knowledge utilization as a field, and to identify the changing intellectual structure of its scientific domains. We analyzed more than 5,000 articles using citation data drawn from the Web of Science®. Search terms were combinations of knowledge, research, evidence, guidelines, ideas, science, innovation, technology, information theory and use, utilization, and uptake. Results We provide an overview of the intellectual structure and how it changed over six decades. The field does not become large enough to represent with a co-citation map until the mid-1960s. Our findings demonstrate vigorous growth from the mid-1960s through 2004, as well as the emergence of specialized domains reflecting distinct collectives of intellectual activity and thought. Until the mid-1980s, the major domains were focused on innovation diffusion, technology transfer, and knowledge utilization. Beginning slowly in the mid-1980s and then growing rapidly, a fourth scientific domain, evidence-based medicine, emerged. The field is dominated in all decades by one individual, Everett Rogers, and by one paradigm, innovation diffusion. Conclusion We conclude that the received view that social science disciplines are in a state where no accepted set of principles or theories guide research (i.e., that they are pre-paradigmatic) could not be supported for this field. Second, we document the emergence of a new domain within the knowledge utilization field, evidence-based medicine. Third, we conclude that Everett Rogers was the dominant figure in the field and, until the emergence of evidence-based medicine, his representation of the general diffusion model was the dominant paradigm in the field. PMID:19014512

  4. History of biological metal utilization inferred through phylogenomic analysis of protein structures

    PubMed Central

    Dupont, Christopher L.; Butcher, Andrew; Valas, Ruben E.; Bourne, Philip E.; Caetano-Anollés, Gustavo

    2010-01-01

    The fundamental chemistry of trace elements dictates the molecular speciation and reactivity both within cells and the environment at large. Using protein structure and comparative genomics, we elucidate several major influences this chemistry has had upon biology. All of life exhibits the same proteome size-dependent scaling for the number of metal-binding proteins within a proteome. This fundamental evolutionary constant shows that the selection of one element occurs at the exclusion of another, with the eschewal of Fe for Zn and Ca being a defining feature of eukaryotic proteomes. Early life lacked both the structures required to control intracellular metal concentrations and the metal-binding proteins that catalyze electron transport and redox transformations. The development of protein structures for metal homeostasis coincided with the emergence of metal-specific structures, which predominantly bound metals abundant in the Archean ocean. Potentially, this promoted the diversification of emerging lineages of Archaea and Bacteria through the establishment of biogeochemical cycles. In contrast, structures binding Cu and Zn evolved much later, providing further evidence that environmental availability influenced the selection of the elements. The late evolving Zn-binding proteins are fundamental to eukaryotic cellular biology, and Zn bioavailability may have been a limiting factor in eukaryotic evolution. The results presented here provide an evolutionary timeline based on genomic characteristics, and key hypotheses can be tested by alternative geochemical methods. PMID:20498051

  5. Peptide ligand structure and I-Aq binding avidity influence T cell signaling pathway utilization.

    PubMed

    Myers, Linda K; Cullins, David L; Park, Jeoung-Eun; Yi, Ae-Kyung; Brand, David D; Rosloniec, Edward F; Stuart, John M; Kang, Andrew H

    2015-10-01

    Factors that drive T cells to signal through differing pathways remain unclear. We have shown that an altered peptide ligand (A9) activates T cells to utilize an alternate signaling pathway which is dependent upon FcR? and Syk. However, it remains unknown whether the affinity of peptide binding to MHC drives this selection. To answer this question we developed a panel of peptides designed so that amino acids interacting with the p6 and p9 predicted MHC binding pockets were altered. Analogs were tested for binding to I-A(q) using a competitive binding assay and selected analogs were administered to arthritic mice. Using the collagen-induced arthritis (CIA) model, arthritis severity was correlated with T cell cytokine production and molecular T cell signaling responses. We establish that reduced affinity of interaction with the MHC correlates with T cell signaling through the alternative pathway, leading ultimately to secretion of suppressive cytokines and attenuation of arthritis. PMID:25982319

  6. Detection of spin-resolved electronic structures from a buried ferromagnetic layer utilizing forward Mott scattering

    SciTech Connect

    Ueda, S.; Mizuguchi, M.; Kojima, T.; Takanashi, K.; Ishimaru, S.; Tsujikawa, M.; Shirai, M.

    2014-03-31

    We report ultrahigh-resolution spin-resolved hard X-ray photoemission (HAXPES) for a buried FeNi alloy film. By utilizing the forward Mott scattering in a Au layer on FeNi, our spin-resolved HAXPES method does not require a standard spin detector and allows us to use the multi-channel electron detection system for the high-efficient electron detection as used in conventional photoemission spectroscopy. A combination of the forward Mott scattering and multi-channel detection leads us to measure a clear spin polarization as well as spin-resolved majority and minority states in the Fe 2p core-level spectra without using the standard spin detector. This method enables us to measure spin-resolved core-level spectra for buried ferromagnetic materials.

  7. Structural analysis of the central Columbia Plateau utilizing radar, digital topography, and magnetic data bases

    SciTech Connect

    Thiessen, R.L.; Eliason, J.R.; Johnson, L.K.; Brougher, C.W.; Foley, M.G.; Beaver, D.E.

    1988-01-01

    The geology of the central Columbia Plateau is characterized by subdued topography and limited outcrop, with most of the exposure concentrated in localized folded/faulted mountains (the Yakima folds) and along river canyons. In order to efficiently compare lineament data bases, we have written an automated computer routine that correlates lineaments that are within a user specified distance of each other. The angle between their trends has to be less than an input maximum separation angle. If more than two lineament maps exist for the area, the analyst may also specify the minimum number of times each structure must be seen. The lineament correlation routine was applied to data bases of all aeromagnetic linears as well as lineaments seen on radar and a digital elevation model image. Due to their topographic expression and associated deformation, the Yakima folds are detected by nearly all of the studies. Other features that do not correspond to known structures are detected in a number of the above data types and so are likely to have a strong structural control. Previously mapped small faults that obliquely cross the Yakima folds were identified a multiple number of times. These structures align with a set of three-dimensional planar structures identified with our unique Geologic Spatial Analysis (GSA) system. The GSA analysis is based upon computer automated detection of valley bottoms as defined by a DEM. Valley vectors which are coplanar may be controlled by a planar geologic structure whose three-dimensional orientation can be calculated by GSA routines. 58 refs., 7 figs.

  8. Parameter and structure-activity data bases: management for maximum utility.

    PubMed Central

    Leo, A

    1985-01-01

    Quantitative structure-activity relationships (QSAR) in the fields of medicinal chemistry, pesticide science, biochemistry and toxicology are being published at an ever increasing rate. In addition to these biological correlation equations, thousands of such equations have been published for all kinds of organic reactions. There is a great need to develop a computerized system to enable one to make comparisons and to draw generalizations about the effects of structure on chemical and biological activity. A proposal is made for a systematic approach to this problem based on the physicochemical properties of organic compounds. PMID:4065069

  9. Prismatic sealed nickel-cadmium batteries utilizing fiber structured electrodes. I - New advances in cell design

    NASA Astrophysics Data System (ADS)

    Haschka, Friedrich; Benczur-Urmossy, Gabor; Anderman, Menahem

    Prismatic sealed Ni/Cd cells of fiber structured electrodes offer the potential to fully recharge a battery in a uniquely short time. It was demonstrated that the cells show excellent cycle life. The design is not restricted to 20 Ah rated capacity. Cells of 50 Ah have been built and tested in an electric hybrid vehicle. A specially designed ultra high-power cell of 45 Ah rated capacity for APU cranking in commerical aircraft supplies 50 percent more peak power than vented Ni/Cd sintered plate aircraft cells. The fiber structured sealed FNC-RECOM cell will not require any maintenance.

  10. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  11. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  12. Biochemical and Structural Insights into Xylan Utilization by the Thermophilic Bacterium Caldanaerobius polysaccharolyticus*

    PubMed Central

    Han, Yejun; Agarwal, Vinayak; Dodd, Dylan; Kim, Jason; Bae, Brian; Mackie, Roderick I.; Nair, Satish K.; Cann, Isaac K. O.

    2012-01-01

    Hemicellulose is the next most abundant plant cell wall component after cellulose. The abundance of hemicellulose such as xylan suggests that their hydrolysis and conversion to biofuels can improve the economics of bioenergy production. In an effort to understand xylan hydrolysis at high temperatures, we sequenced the genome of the thermophilic bacterium Caldanaerobius polysaccharolyticus. Analysis of the partial genome sequence revealed a gene cluster that contained both hydrolytic enzymes and also enzymes key to the pentose-phosphate pathway. The hydrolytic enzymes in the gene cluster were demonstrated to convert products from a large endoxylanase (Xyn10A) predicted to anchor to the surface of the bacterium. We further use structural and calorimetric studies to demonstrate that the end products of Xyn10A hydrolysis of xylan are recognized and bound by XBP1, a putative solute-binding protein, likely for transport into the cell. The XBP1 protein showed preference for xylo-oligosaccharides as follows: xylotriose > xylobiose > xylotetraose. To elucidate the structural basis for the oligosaccharide preference, we solved the co-crystal structure of XBP1 complexed with xylotriose to a 1.8-? resolution. Analysis of the biochemical data in the context of the co-crystal structure reveals the molecular underpinnings of oligosaccharide length specificity. PMID:22918832

  13. Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism*

    PubMed Central

    Walsh, Agnes A.; Szklarz, Grazyna D.; Scott, Emily E.

    2013-01-01

    Cytochrome P450 (CYP) 1A1 is an extrahepatic monooxygenase involved in the metabolism of endogenous substrates and drugs, as well as the activation of certain toxins and environmental pollutants. CYP1A1 is particularly well known for its ability to biotransform polycyclic aromatic hydrocarbons, such as benzo[a]pyrene in tobacco smoke, into carcinogens. CYP1A1 possesses functional similarities and differences with human CYP1A2 and CYP1B1 enzymes, but the structural basis for this has been unclear. We determined a 2.6 Å structure of human CYP1A1 with the inhibitor α-naphthoflavone. α-Naphthoflavone binds within an enclosed active site, with the planar benzochromen-4-one core packed flat against the I helix that composes one wall of the active site, and the 2-phenyl substituent oriented toward the catalytic heme iron. Comparisons with previously determined structures of the related cytochrome P450 1A2 and 1B1 enzymes reveal distinct features among the active sites that may underlie the functional variability of these enzymes. Finally, docking studies probed the ability of CYP1A structures to assist in understanding their known in vitro interactions with several typical substrates and inhibitors. PMID:23508959

  14. Utilizing Natural Structure of the Research Literature in Psychology as a Model for Bibliographic Instruction.

    ERIC Educational Resources Information Center

    Olivetti, L. James

    1979-01-01

    Offered as an alternative to the search strategy model for bibliographic instruction, the approach to library instruction in psychology which is described involves analysis of the natural structure of the research literature. An example using Festinger's theory of cognitive dissonance is presented. Twelve references are cited. (EJS)

  15. The Factor Structure and Screening Utility of the Social Interaction Anxiety Scale

    ERIC Educational Resources Information Center

    Rodebaugh, Thomas L.; Woods, Carol M.; Heimberg, Richard G.; Liebowitz, Michael R.; Schneier, Franklin R.

    2006-01-01

    The widely used Social Interaction Anxiety Scale (SIAS; R. P. Mattick & J. C. Clarke, 1998) possesses favorable psychometric properties, but questions remain concerning its factor structure and item properties. Analyses included 445 people with social anxiety disorder and 1,689 undergraduates. Simple unifactorial models fit poorly, and models that

  16. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  17. A Study of the Utilization of Advanced Composites in Fuselage Structures of Commercial Aircraft

    NASA Technical Reports Server (NTRS)

    Watts, D. J.; Sumida, P. T.; Bunin, B. L.; Janicki, G. S.; Walker, J. V.; Fox, B. R.

    1985-01-01

    A study was conducted to define the technology and data needed to support the introduction of advanced composites in the future production of fuselage structure in large transport aircraft. Fuselage structures of six candidate airplanes were evaluated for the baseline component. The MD-100 was selected on the basis of its representation of 1990s fuselage structure, an available data base, its impact on the schedule and cost of the development program, and its availability and suitability for flight service evaluation. Acceptance criteria were defined, technology issues were identified, and a composite fuselage technology development plan, including full-scale tests, was identified. The plan was based on composite materials to be available in the mid to late 1980s. Program resources required to develop composite fuselage technology are estimated at a rough order of magnitude to be 877 man-years exclusive of the bird strike and impact dynamic test components. A conceptual composite fuselage was designed, retaining the basic MD-100 structural arrangement for doors, windows, wing, wheel wells, cockpit enclosure, major bulkheads, etc., resulting in a 32 percent weight savings.

  18. Biochemical and structural insights into xylan utilization by the thermophilic bacterium Caldanaerobius polysaccharolyticus.

    PubMed

    Han, Yejun; Agarwal, Vinayak; Dodd, Dylan; Kim, Jason; Bae, Brian; Mackie, Roderick I; Nair, Satish K; Cann, Isaac K O

    2012-10-12

    Hemicellulose is the next most abundant plant cell wall component after cellulose. The abundance of hemicellulose such as xylan suggests that their hydrolysis and conversion to biofuels can improve the economics of bioenergy production. In an effort to understand xylan hydrolysis at high temperatures, we sequenced the genome of the thermophilic bacterium Caldanaerobius polysaccharolyticus. Analysis of the partial genome sequence revealed a gene cluster that contained both hydrolytic enzymes and also enzymes key to the pentose-phosphate pathway. The hydrolytic enzymes in the gene cluster were demonstrated to convert products from a large endoxylanase (Xyn10A) predicted to anchor to the surface of the bacterium. We further use structural and calorimetric studies to demonstrate that the end products of Xyn10A hydrolysis of xylan are recognized and bound by XBP1, a putative solute-binding protein, likely for transport into the cell. The XBP1 protein showed preference for xylo-oligosaccharides as follows: xylotriose > xylobiose > xylotetraose. To elucidate the structural basis for the oligosaccharide preference, we solved the co-crystal structure of XBP1 complexed with xylotriose to a 1.8-? resolution. Analysis of the biochemical data in the context of the co-crystal structure reveals the molecular underpinnings of oligosaccharide length specificity. PMID:22918832

  19. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... preserve and protect all structures, equipment, and vegetation (such as trees, shrubs, and grass) on or... work required under this contract. The Contractor shall only remove trees when specifically authorized... trees are broken during contract performance, or by the careless operation of equipment, or by...

  20. Static shape control of smart structures: A new approach utilizing compliant mechanisms

    NASA Astrophysics Data System (ADS)

    Saggere, Laxminarayana

    Smart structures are "active" structures capable of sensing stimuli, and responding with active control. Static shape control of a smart structure is a controlled response involving quasi-static change in its configuration from a given state into another desired state. Static shape control of smart structures finds numerous potential applications, especially in the aerospace field, and is accomplished in the current practice by interfacing an "inert" structure with a distribution of a multitude of discrete smart materials based actuators and control capabilities. Such a distributed actuation approach has several advantages. However, the implementation of this technology in many practical applications is currently impeded by certain limitations such as inadequate stroke and response time of the state-of-the-art smart materials based actuators, numerousness of the actuators required, and the associated complexity of the distributed parameter control. Therefore, motivated by the need for improved actuation schemes, a novel approach for static shape control of flexible structures has been developed in this dissertation. The new approach offers practicable solutions for real-scale applications while reducing the number of actuators and control complexity of the system. In this approach, a given beam segment is "deformed" into prescribed shapes by transmitting controlled displacements to "optimal" points on the segment from one or two actuators (not limited to smart materials) located away from the segment through a special class of mechanisms called compliant mechanisms--mechanisms that achieve mobility from the elastic deformations of its links and joints. This research has developed two procedures for systematic syntheses of complaint mechanisms for effectuating desired shape changes in a given segment in two possible modes: one involving pure bending and the other involving bending plus a rigid-body motion. The procedures are based on the first-principles of kinematics and mechanics combined through structural optimization techniques. In these procedures, first the topology of the compliant mechanism is systematically established by generating a frame-work of beam elements between predetermined "optimal" activation points on the given segment and the input actuation point(s); then, the dimensions of the mechanism are optimized by solving inverse problems. The two procedures are illustrated by an example for each case.

  1. Prismatic sealed nickel-cadmium batteries utilizing fiber structured electrodes. II - Applications as a maintenance free aircraft battery

    NASA Astrophysics Data System (ADS)

    Anderman, Menahem; Benczur-Urmossy, Gabor; Haschka, Friedrich

    Test data on prismatic sealed Ni-Cd batteries utilizing fiber structured electrodes (sealed FNC) is discussed. It is shown that, under a voltage limited charging scheme, the charge acceptance of the sealed FNC battery is far superior to that of the standard vented aircraft Ni-Cd batteries. This results in the sealed FNC battery maintaining its capacity over several thousand cycles without any need for electrical conditioning or water topping. APU start data demonstrate superior power capabilities over existing technologies. Performance at low temperature is presented. Abuse test results reveal a safe fail mechanism even under severe electrical abuse.

  2. Understanding the role of electron and hole trions on current transport in aluminium tris(8-hydroxyquinoline) using organic magnetoresistance

    SciTech Connect

    Zhang, Sijie; Gillin, W. P.; Willis, M.; Gotto, R.; Roy, K. A.; Kreouzis, T.; Rolfe, N. J.

    2014-01-27

    The change in current through an organic light emitting diode (OLED) when it is placed in a magnetic field has been dubbed organic magnetoresistance and provides a means to understand the spin interactions that are occurring in working devices. Whilst there are a wide range of interactions that have been proposed to be the cause of the measured effects, there is still a need to identify their individual roles and in particular how they respond to an applied magnetic field. In this work, we investigate the effect of changing the balance of electron and hole injection in a simple aluminium tris(8-hydroxyqinoline) based OLED and demonstrate that the triplet polaron interaction appears to be much stronger for electrons than for holes in this material.

  3. Biomass utilization

    SciTech Connect

    Cote, W.A.

    1983-01-01

    Proceedings are given of the NATO Advanced Study Institute on biomass utilization. The course was introduced by discussion of the basic concepts of biomass utilization. Then the raw material (forest biomass, agricultural resources, aquatic resources and municipal solid waste) was considered from the point of view of its availability, assessment, preparation and general suitability. The structure and chemical composition of the biomass were addressed by a number of speakers before the conversion methods were presented. Biological and thermochemical routes for conversion of biomass to energy, chemicals or food were discussed for several days as this is the main thrust of biomass utilization today. Finally, the engineering aspects and the economics of biomass utilization were taken up in order to examine the feasibility of the various elements that comprise this multidisciplinary field. Separate abstracts have been prepared for items within the scope of the Energy Data Base.

  4. Study of Flow Structure around Hypersonic MUSES-C Capsule Utilizing the Electric Discharge Method

    NASA Astrophysics Data System (ADS)

    Nishio, Masatomi; Sezaki, Shinji; Nakamura, Hiroaki; Suzuki, Kojiro

    The three-dimensional flow structure around a model of the MUSES-C capsule traveling at a speed of Mach 10 was observed by using various techniques of the electric discharge method. The shock shape ahead of the capsule was observed by a shock shape visualization technique, and the streamline after the shock wave was observed by a streamline visualization technique. Subsequently, the flow pattern including the re-circulation region such as the separation point, free shear layer, and rear stagnation location behind the capsule was observed by using a technique of the electric discharge method. These experiments have made clear the three dimensional flow structure around the capsule, which was very difficult to visualize.

  5. Utilization of Optimization for Design of Morphing Wing Structures for Enhanced Flight

    NASA Astrophysics Data System (ADS)

    Detrick, Matthew Scott

    Conventional aircraft control surfaces constrain maneuverability. This work is a comprehensive study that looks at both smart material and conventional actuation methods to achieve wing twist to potentially improve flight capability using minimal actuation energy while allowing minimal wing deformation under aerodynamic loading. A continuous wing is used in order to reduce drag while allowing the aircraft to more closely approximate the wing deformation used by birds while loitering. The morphing wing for this work consists of a skin supported by an underlying truss structure whose goal is to achieve a given roll moment using less actuation energy than conventional control surfaces. A structural optimization code has been written in order to achieve minimal wing deformation under aerodynamic loading while allowing wing twist under actuation. The multi-objective cost function for the optimization consists of terms that ensure small deformation under aerodynamic loading, small change in airfoil shape during wing twist, a linear variation of wing twist along the length of the wing, small deviation from the desired wing twist, minimal number of truss members, minimal wing weight, and minimal actuation energy. Hydraulic cylinders and a two member linkage driven by a DC motor are tested separately to provide actuation. Since the goal of the current work is simply to provide a roll moment, only one actuator is implemented along the wing span. Optimization is also used to find the best location within the truss structure for the actuator. The active structure produced by optimization is then compared to simulated and experimental results from other researchers as well as characteristics of conventional aircraft.

  6. Structural analysis of the central Columbia Plateau utilizing radar, digital topography, and magnetic data bases

    SciTech Connect

    Thiessen, R.L.; Eliason, J.R.; Johnson, L.K.; Brougher, C.W.; Foley, M.G.; Beaver, D.E.

    1991-08-01

    Interest in the Hanford site (Washington) as a nuclear production, power, and waste disposal site has led to generation of a vast quantity of geophysical and remote sensing data sets of the central Columbia Plateau. To data, these various studies, including at least 13 independent magnetic linear and image lineament studies, have not been adequately correlated. Therefore, these studies provide a unique opportunity to compare and contrast the viability of the different geophysical and remote sensing techniques. The geology of the central Columbia Plateau is characterized by subdued topography and limited outcrop, with most of the exposure concentrated in localized folded/faulted mountains (the Yakima folds) and along river canyons. In order to efficiently compare lineament data bases, we have written an automated computer routine that correlated lineaments that are within a user specified distance of each other. The angle between their trends has to be less than an input maximum separation angle. If more than two lineament maps exist for the area, the analyst may also specify the minimum number of times each structure must be seen. The lineament correlation routine was applied to data bases of all aeromagnetic linears as well as lineaments seen on radar and a digital elevation model DEM image. Geologic structures align with a set of three-dimensional planar structures identified with our Geologic Spatial Analysis (GSA) system. The GSA analysis is based upon computer automated detection of valley bottoms as defined by a DEM.

  7. Quantification of urban structure on building block level utilizing multisensoral remote sensing data

    NASA Astrophysics Data System (ADS)

    Wurm, Michael; Taubenbck, Hannes; Dech, Stefan

    2010-10-01

    Dynamics of urban environments are a challenge to a sustainable development. Urban areas promise wealth, realization of individual dreams and power. Hence, many cities are characterized by a population growth as well as physical development. Traditional, visual mapping and updating of urban structure information of cities is a very laborious and cost-intensive task, especially for large urban areas. For this purpose, we developed a workflow for the extraction of the relevant information by means of object-based image classification. In this manner, multisensoral remote sensing data has been analyzed in terms of very high resolution optical satellite imagery together with height information by a digital surface model to retrieve a detailed 3D city model with the relevant land-use / land-cover information. This information has been aggregated on the level of the building block to describe the urban structure by physical indicators. A comparison between the indicators derived by the classification and a reference classification has been accomplished to show the correlation between the individual indicators and a reference classification of urban structure types. The indicators have been used to apply a cluster analysis to group the individual blocks into similar clusters.

  8. Damage identification in nonlinear periodic structures utilizing the dynamics of intrinsic localized modes

    NASA Astrophysics Data System (ADS)

    Thota, M.; Harne, R. L.; Wang, K. W.

    2015-04-01

    Intrinsic localized modes (ILMs) are localized vibrational responses that may occur in a variety of nonlinear periodic systems. Many investigations have characterized the existence and stability of ILMs and they have been realized in systems representing numerous domains and length scales. Previous studies indicate that ILMs strongly interact with an impurity via attraction or repulsion from the damage location. In this research to exploit such phenomena for structural damage identification, we analyze the interaction of an ILM with multiple impurities, where a steered impurity strategically guides the ILM towards another, static impurity representative of damage. We discover and catalog the distinct phenomenological interaction types between steered ILMs and damage. For some interaction types, the ILM propagation rate temporarily exceeds a threshold, a behavior that is shown to consistently coincide with ILM interaction with damage (the static impurity). The quantitatively distinct interaction types are used to devise a method to effectively identify damage in the nonlinear periodic structure. Numerous studies are performed to assess the viability and accuracy of the proposed damage identification method and to examine its robustness to random structural heterogeneity. Beyond stiffness change, the proposed method is applicable to monitoring other system characteristics, such as changing mass or multi-field features, which may be representative of damage or static impurity.

  9. Utilizing a Key Aptamer Structure-Switching Mechanism for the Ultrahigh Frequency Detection of Cocaine.

    PubMed

    Neves, Miguel A D; Blaszykowski, Christophe; Thompson, Michael

    2016-03-15

    Aptasensing of small molecules remains a challenge as detection often requires the use of labels or signal amplification methodologies, resulting in both difficult-to-prepare sensor platforms and multistep, complex assays. Furthermore, many aptasensors rely on the binding mechanism or structural changes associated with target capture by the aptameric probe, resulting in a detection scheme customized to each aptamer. It is in this context that we report herein a sensitive cocaine aptasensor that offers both real-time and label-free measurement capabilities. Detection relies on the electromagnetic piezoelectric acoustic sensor (EMPAS) platform. The sensing interface consists of a S-(11-trichlorosilyl-undecanyl)benzenethiosulfonate (BTS) adlayer-coated quartz disc onto which a structure-switching cocaine aptamer (MN6) is immobilized, completing the preparation of the MN6 cocaine aptasensor (M6CA). The EMPAS system has recently been employed as the foundation of a cocaine aptasensor based on a structurally rigid cocaine aptamer variant (MN4), an aptasensor referred to by analogy as M4CA. M6CA represents a significant increase in terms of analytical performance, compared to not only M4CA but also other cocaine aptamer-based sensors that do not rely on signal amplification, producing an apparent Kd of 27 ± 6 μM and a 0.3 μM detection limit. Remarkably, the latter is in the range of that achieved by cocaine aptasensors relying on signal amplification. Furthermore, M6CA proved to be capable not only of regaining its cocaine-binding ability via simple buffer flow over the sensing interface (i.e., without the necessity to implement an additional regeneration step, such as in the case of M4CA), but also of detecting cocaine in a multicomponent matrix possessing potentially assay-interfering species. Finally, through observation of the distinct shape of its response profiles to cocaine injection, demonstration was made that the EMPAS system in practice offers the possibility to distinguish between the binding mechanisms of structure-switching (MN6) vs rigid (MN4) aptameric probes, an ability that could allow the EMPAS to provide a more universal aptasensing platform than what is ordinarily observed in the literature. PMID:26871312

  10. Study of utilization of advanced composites in fuselage structures of large transports

    NASA Technical Reports Server (NTRS)

    Jackson, A. C.; Campion, M. C.; Pei, G.

    1984-01-01

    The effort required by the transport aircraft manufacturers to support the introduction of advanced composite materials into the fuselage structure of future commercial and military transport aircraft is investigated. Technology issues, potential benefits to military life cycle costs and commercial operating costs, and development plans are examined. The most urgent technology issues defined are impact dynamics, acoustic transmission, pressure containment and damage tolerance, post-buckling, cutouts, and joints and splices. A technology demonstration program is defined and a rough cost and schedule identified. The fabrication and test of a full-scale fuselage barrel section is presented. Commercial and military benefits are identified. Fuselage structure weight savings from use of advanced composites are 16.4 percent for the commercial and 21.8 percent for the military. For the all-composite airplanes the savings are 26 percent and 29 percent, respectively. Commercial/operating costs are reduced by 5 percent for the all-composite airplane and military life cycle costs by 10 percent.

  11. Innovative design of composite structures: Design, manufacturing, and testing of plates utilizing curvilinear fiber trajectories

    NASA Technical Reports Server (NTRS)

    Hyer, M. W.; Rust, R. J.; Waters, W. A., Jr.

    1994-01-01

    As a means of improving structural design, the concept of fabricating flat plates containing holes by incorporating curvilinear fiber trajectories to transmit loads around the hole is studied. In the present discussion this concept is viewed from a structural level, where access holes, windows, doors, and other openings are of significant size. This is opposed to holes sized for mechanical fasteners. Instead of cutting the important load-bearing fibers at the hole edge, as a conventional straightline design does, the curvilinear design preserves the load-bearing fibers by orienting them in smooth trajectories around the holes, their loading not ending abruptly at the hole edge. Though the concept of curvilinear fiber trajectories has been studied before, attempts to manufacture and test such plates have been limited. This report describes a cooperative effort between Cincinnati Milacron Inc., NASA Langley Research Center, and Virginia Polytechnic Institute and State University to design, manufacture, and test plates using the curvilinear fiber trajectory concept. The paper discusses details of the plate design, details of the manufacturing, and a summary of results from testing the plates with inplane compressive buckling loads and tensile loads. Comparisons between the curvilinear and conventional straightline fiber designs based on measurements and observation are made. Failure modes, failure loads, strains, deflections, and other key responses are compared.

  12. Evaluation of commercial utility of ERTS-A imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F.; Thomas, G. E.

    1973-01-01

    Five areas in North America (North Slope-Alaska, Superior Province-Canada, Williston Basin-Montana, Colorado and New Mexico-West Texas) are being studied for discernibility of geological evidence on ERTS-1 imagery, Evidence mapped is compared with known mineral/hydrocarbon accumulations to determine the value of the imagery in commercial exploration programs. Evaluation has proceeded in the New Mexico-West Texas area while awaiting imagery in the other areas. To date, results have been better than expected. Clearly discernible structural lineaments in New Mexico-West Texas are evident on the photographs. Comparison of this evidence with known major mining localities in New Mexico indicates a clear pattern of coincidence between the lineaments and mining localities. In West Texas, lineament and geomorphological evidence obtainable from the photographs define the petroleum-productive Central Basin Platform. Based on evaluation results in the New Mexico-West Texas area and on cursory results in the other four areas of North America, ERTS-1 imagery will be extremely valuable in defining the regional and local structure in any commercial exploration program.

  13. Utilization of Pebax 1657 as structure directing agent in fabrication of ultra-porous ZIF-8

    NASA Astrophysics Data System (ADS)

    Jomekian, A.; Behbahani, R. M.; Mohammadi, T.; Kargari, A.

    2016-03-01

    Ultra porous ZIF-8 particles synthesized using PEO/PA6 based poly(ether-block-amide) (Pebax 1657) as structure directing agent. Structural properties of ZIF-8 samples prepared under different synthesis parameters were investigated by laser particle size analysis, XRD, N2 adsorption analysis, BJH and BET tests. The overall results showed that: (1) The mean pore size of all ZIF-8 samples increased remarkably (from 0.34 nm to 1.1-2.5 nm) compared to conventionally synthesized ZIF-8 samples. (2) Exceptional BET surface area of 1869 m2/g was obtained for a ZIF-8 sample with mean pore size of 2.5 nm. (3) Applying high concentrations of Pebax 1657 to the synthesis solution lead to higher surface area, larger pore size and smaller particle size for ZIF-8 samples. (4) Both, Increase in temperature and decrease in molar ratio of MeIM/Zn2+ had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples.

  14. Limited Predictive Utility of Admissions Scores and Objective Structured Clinical Examinations for APPE Performance

    PubMed Central

    McLaughlin, Jacqueline E.; Khanova, Julia; Scolaro, Kelly; Rodgers, Philip T.

    2015-01-01

    Objective. To examine the relationship between admissions, objective structured clinical examination (OSCE), and advanced pharmacy practice experience (APPE) scores. Methods. Admissions, OSCE, and APPE scores were collected for students who graduated from the doctor of pharmacy (PharmD) program in spring of 2012 and spring of 2013 (n=289). Pearson correlation was used to examine relationships between variables, and independent t test was used to compare mean scores between groups. Results. All relationships among admissions data (undergraduate grade point average, composite PCAT scores, and interview scores) and OSCE and APPE scores were weak, with the strongest association found between the final OSCE and ambulatory care APPEs. Students with low scores on the final OSCE performed lower than others on the acute care, ambulatory care, and community APPEs. Conclusion. This study highlights the complexities of assessing student development of noncognitive professional skills over the course of a curriculum. PMID:26430271

  15. Utility of anion and cation combinations for phasing of protein structures.

    PubMed

    Sharma, Ashwani; Yogavel, Manickam; Sharma, Amit

    2012-09-01

    We report the use of anionic (I(-)), cationic (Ba(2+), Cd(2+)) and ionic mixtures (I(-) plus Ba(2+)) for derivatizing liver fatty acid binding protein (LFABP) crystals. Use of cationic and anionic salts in phasing experiments revealed distinct non-overlapping sites for these ions, suggesting exclusive binding regions on LFABP. Interestingly, cations of identical charge and valency (like Ba(2+) and Cd(2+)) bound to distinct pockets on the protein surface. Furthermore, a mixture of salts containing both I(-) and Ba(2+) was very useful in phasing experiments as these oppositely charged ions bound to different regions of LFABP. Our data therefore suggest that cationic and anionic salt mixtures like BaCl(2) with NH(4)I or salts like CdI, BaI where each ion has a significant anomalous signal for a given X-ray wavelength may be valuable reagents for phasing during structure determination. PMID:22562242

  16. Study on utilization of advanced composites in commercial aircraft wing structures. Volume 1: Executive summary

    NASA Technical Reports Server (NTRS)

    Sakata, I. F.; Ostrom, R. B.; Cardinale, S. V.

    1978-01-01

    The effort required by commercial transport manufacturers to accomplish the transition from current construction materials and practices to extensive use of composites in aircraft wings was investigated. The engineering and manufacturing disciplines which normally participate in the design, development, and production of an aircraft were employed to ensure that all of the factors that would enter a decision to commit to production of a composite wing structure were addressed. A conceptual design of an advanced technology reduced energy aircraft provided the framework for identifying and investigating unique design aspects. A plan development effort defined the essential technology needs and formulated approaches for effecting the required wing development. The wing development program plans, resource needs, and recommendations are summarized.

  17. Gift-Giving and Network Structure in Rural China: Utilizing Long-Term Spontaneous Gift Records

    PubMed Central

    Chen, Xi

    2014-01-01

    The tradition of keeping written records of gift received during household ceremonies in many countries offers researchers an underutilized means of data collection for social network analysis. This paper first summarizes unique features of the gift record data that circumvent five prevailing sampling and measurement issues in the literature, and we discuss their advantages over existing studies at both the individual level and the dyadic link level using previous data sources. We then document our research project in rural China that implements a multiple wave census-type household survey and a long-term gift record collection. The pattern of gift-giving in major household social events and its recent escalation is analyzed. There are significantly positive correlations between gift network centrality and various forms of informal insurance. Finally, economic inequality and competitive marriage market are among the main demographic and socioeconomic determinants of the observed gift network structure. PMID:25111696

  18. Utility of the inverse partial fluorescence for electronic structure studies of battery materials

    NASA Astrophysics Data System (ADS)

    Wadati, H.; Achkar, A. J.; Hawthorn, D. G.; Regier, T. Z.; Singh, M. P.; Truong, K. D.; Fournier, P.; Chen, G.; Mizokawa, T.; Sawatzky, G. A.

    2012-05-01

    X-ray absorption spectroscopy is one of the most widely used experimental techniques to study the electronic and spatial structure of materials. Fluorescence yield mode is bulk-sensitive, but has several serious problems coming from saturation effects. In this study, we show the usefulness of partial fluorescence yields in addressing these problems. We discuss the different behaviors of La2NiMnO6 and LiMnO2 at the Mn 2p absorption edges. The total fluorescence yield produces misleading spectra for LiMnO2 due to the absence of high-Z (Z: atomic number) elements. We conclude that the measurement of the inverse partial fluorescence yield is essential in studies of LiMnO2, which is a hotly debated Li-ion battery material.

  19. End-to-end communication test on variable length packet structures utilizing AOS testbed

    NASA Technical Reports Server (NTRS)

    Miller, Warner H.; Sank, V.; Fong, Wai; Miko, J.; Powers, M.; Folk, John; Conaway, B.; Michael, K.; Yeh, Pen-Shu

    1994-01-01

    This paper describes a communication test, which successfully demonstrated the transfer of losslessly compressed images in an end-to-end system. These compressed images were first formatted into variable length Consultative Committee for Space Data Systems (CCSDS) packets in the Advanced Orbiting System Testbed (AOST). The CCSDS data Structures were transferred from the AOST to the Radio Frequency Simulations Operations Center (RFSOC), via a fiber optic link, where data was then transmitted through the Tracking and Data Relay Satellite System (TDRSS). The received data acquired at the White Sands Complex (WSC) was transferred back to the AOST where the data was captured and decompressed back to the original images. This paper describes the compression algorithm, the AOST configuration, key flight components, data formats, and the communication link characteristics and test results.

  20. Sensor Array Devices Utilizing Nano-structured Metal-oxides for Hazardous Gas Detection

    NASA Astrophysics Data System (ADS)

    Andio, Mark A.

    Methane and carbon monoxide are two hazardous gases which require continuous monitoring by gas sensors in underground coal mines for explosion prevention and toxicity, respectively. This work explored implementing miniaturized gas sensors in this area to simultaneously detect both gases for benefits of increased portability and reduced power consumption of the chemiresistive gas sensor device. The focus of this research was to understand how the particle size, morphology, and microstructure of the metaloxide film affected the gas sensor performance to the two gases of interest on miniaturized gas sensor devices in the form of microhotplate platforms. This was done through three main research studies. The first was conducted by growing SnO2 nanowires from SnO 2 particles using an Au-catalyst. Growth conditions including temperature, time, and oxygen partial pressure were explored to determine the formation aspects of the SnO2 nanowires. Gas sensor studies were completed that provided evidence that the SnO2 nanowires increased detection to a fixed concentration of carbon monoxide compared to SnO2 particles without nano-structure formation. A second research study was performed to compare the gas sensor performance of SnO2 nanoparticles, hierarchical particles, and micron-size particles. The nanoparticles were developed into an ink and deposited via ink-jet printing on the microhotplate substrates to control the microstructure of the metal-oxide film. By preventing agglomeration of the nanoparticle film, the SnO2 nanoparticles displayed similar gas sensor performance to methane and carbon monoxide as the hierarchical particles. Both nano-structures had much higher gas sensor response than the micron-size particles which confirms the surface area of the metal-oxide film is critical for reaction of the analyte gas at the surface. The last research study presented in the dissertation describes an oxide nanoparticle array developed for detecting methane and carbon monoxide in the presence of one another. A design of experiments was constructed and principal component analysis was used for determining the optimum temperatures of the metal-oxide elements. A four element array was developed with the SnO 2 and TiO2 sensor elements able to detect methane concentrations of interest and the ZnO and NiO sensor elements able to detect the carbon monoxide concentrations. A linear based prediction model was developed and tested for accuracy and reproducibility of the model to a series of random gas concentrations.

  1. Ert Applied to the Characterization of Subsidence in Mexico City: Ancient Structures Affecting Urban Utilities

    NASA Astrophysics Data System (ADS)

    Arango, C.; Chavez, R. E.; Cifuentes-Nava, G.; Hernndez-Quintero, E.

    2013-05-01

    The problem of subsidence in Mexico City is basically due to the rapid extraction of groundwater for water supply in addition to the geological conditions. The most typical manifestations of the phenomena are presented as cracks and fractures due to compaction of ancient lake clayish sediments. This phenomenon has caused major affectations to city infrastructure because of the differential subsidence. Fractured buildings, sinkholes, among others manifestations, are potentially sources of collapses, which exposes the population to a serious risk. A small portion of Iztacalco County is being affected by this problem, specifically, in a crossroad formed by two important avenues: La Viga and Plutarco Elias Calles, where the area apparently increases its topographical level. The Electrical Resistivity Tomography technique was selected in order to obtain a resistivity image of the subsoil, which allows identify the main features associated to the terrain uprising. Three (ERT) profiles 200 m, were deployed on the mentioned crossroad in order to characterize the subsurface structures affecting the topographical level of the avenues. A big resistivity anomaly (~ 1000 ohm-m) could be observed towards the central part of the crossroad, coinciding with the major lifting level on surface. This feature appears at 15 m deep in all the profiles and depicts an approximate extension of 100 m in the E-W direction and 60 m in N-S axis. On the other hand, the surrounding material seems to correspond to a higher-saturated environment (lacustrine sediments <10 ohm-m). Shallow anomalies were also detected related to urban artifacts (pipes, sewers, etcetera). The apparently terrain uprising can be associated to a differential subsidence. However, the mentioned avenues were ancient water channels since pre-Hispanic times, where the caudal was enough to allow small steam boating at late nineteenth century. These waterways served as main routes for the exchange of goods during colonial times until the early twentieth century, and just at the junction of the channels, there was a custom gate, where the merchandise used to be registered before its arrival to the downtown market. We suspect that these high resistivity structures could be remains of those buildings that were not removed when the authorities decided to drain the channels in 1921.

  2. The structure of myostatin:follistatin 288: insights into receptor utilization and heparin binding

    SciTech Connect

    Cash, Jennifer N.; Rejon, Carlis A.; McPherron, Alexandra C.; Bernard, Daniel J.; Thompson, Thomas B.

    2009-09-29

    Myostatin is a member of the transforming growth factor-{beta} (TGF-{beta}) family and a strong negative regulator of muscle growth. Here, we present the crystal structure of myostatin in complex with the antagonist follistatin 288 (Fst288). We find that the prehelix region of myostatin very closely resembles that of TGF-{beta} class members and that this region alone can be swapped into activin A to confer signalling through the non-canonical type I receptor Alk5. Furthermore, the N-terminal domain of Fst288 undergoes conformational rearrangements to bind myostatin and likely acts as a site of specificity for the antagonist. In addition, a unique continuous electropositive surface is created when myostatin binds Fst288, which significantly increases the affinity for heparin. This translates into stronger interactions with the cell surface and enhanced myostatin degradation in the presence of either Fst288 or Fst315. Overall, we have identified several characteristics unique to myostatin that will be paramount to the rational design of myostatin inhibitors that could be used in the treatment of muscle-wasting disorders.

  3. Structural Determinants in Family Planning Service Utilization in Ethiopia: EDHS 2011 Analysis

    PubMed Central

    Gizachew Balew, Jembere; Cho, Yongtae; Tammy Kim, Clara; Ko, Woorim

    2015-01-01

    Family planning coverage has improved in Ethiopia in the last decade, though fertility is still about 5.8 in the rural setup. In this paper, the major structural determinants of family planning service were analyzed using a multilevel model from 8906 individual women observation in the 2011 EDHS data. The results show that there is a big variation in family planning use both at the individual and between group levels. More than 39% of the variation in FP use is explained by contextual cluster level differences. Most of the socioeconomic predictors; respondent's education, ethnicity, and partners' education as well as employment status and urbanization were found to be significant factors that affect FP use. Similarly health extension visit and media access were found to be strong factors that affect FP service at both individual and cluster levels. This evidence concludes that addressing these contextual factors is very crucial to strengthen FP use and fertility reduction in the nation, beyond individual behavioral changes. PMID:26783520

  4. How funding structures for HIV/AIDS research shape outputs and utilization: a Swiss case study

    PubMed Central

    2011-01-01

    Background Research policy in the field of HIV has changed substantially in recent decades in Switzerland. Until 2004, social science research on HIV/AIDS was funded by specialized funding agencies. After 2004, funding of such research was normalized and integrated into the Swiss National Science Foundation as the main funding agency for scientific research in Switzerland. This paper offers a longitudinal analysis of the relationship between the changing nature of funding structures on the one hand and the production and communication of policy-relevant scientific knowledge in the field of HIV on the other hand. Methods The analysis relies on an inventory of all social sciences research projects on HIV in Switzerland that were funded between 1987 and 2010, including topics covered and disciplines involved, as well as financial data. In addition, in-depth interviews were conducted with 18 stakeholders. Results The analysis highlights that the pre-2004 funding policy ensured good coverage of important social science research themes. Specific incentives and explicit promotion of social science research related to HIV gave rise to a multidisciplinary, integrative and health-oriented approach. The abolition of a specific funding policy in 2004 was paralleled by a drastic reduction in the number of social science research projects submitted for funding, and a decline of public money dedicated to such research. Although the public administration in charge of HIV policy still acknowledges the relevance of findings from social sciences for the development of prevention, treatment and care, HIV-related social science research does not flourish under current funding conditions. Conclusions The Swiss experience sheds light on the difficulties of sustaining social science research and multidisciplinary approaches related to HIV without specialized funding agencies. Future funding policy might not necessarily require specialized agencies, but should better take into account research dynamics and motivations in the field of social sciences. PMID:21968292

  5. Mycobacterium tuberculosis utilizes a unique heterotetrameric structure for dehydrogenation of the cholesterol side chain

    PubMed Central

    Thomas, Suzanne T.; Sampson, Nicole S.

    2013-01-01

    Compounding evidence supports the important role in pathogenesis that the metabolism of cholesterol by Mycobacterium tuberculosis (M. tuberculosis) plays. Elucidating the pathway by which cholesterol is catabolized is necessary to understand the molecular mechanism by which this pathway contributes to infection. Based on early metabolite identification studies in multiple actinomycetes, it has been proposed that cholesterol side chain metabolism requires one or more acyl-CoA dehydrogenases (ACADs). There are 35 genes annotated as encoding ACADs in the M. tuberculosis genome. Here we characterize a heteromeric ACAD encoded by Rv3544c and Rv3543c, formerly named fadE28 and fadE29, respectively. We now refer to genes Rv3544c and Rv3543c as chsE1 and chsE2 in recognition of their validated activity in cholesterol side chain dehydrogenation. Analytical ultracentrifugation and LC/UV experiments establish that ChsE1-ChsE2 forms an ?2?2 heterotetramer, a new architecture for an ACAD. Our bioinformatic analysis and mutagenesis studies reveal that heterotetrameric ChsE1-ChsE2 has only two active sites. E241 in ChsE2 is required for catalysis of dehydrogenation by ChsE1-ChsE2. Steady state kinetic analysis establishes the enzyme is specific for an intact steroid ring system compared to hexahydroindanone substrates with specificity constants (kcat/KM) of 2.5 105 0.5 s-1 M-1 vs 9.8 102 s-1 M-1 respectively, at pH 8.5. The characterization of a unique ACAD quaternary structure involved in sterol metabolism that is encoded by two distinct cistronic ACAD genes opens the way to identification of additional sterol metabolizing ACADs in M. tuberculosis and other actinomycetes through bioinformatic analysis. PMID:23560677

  6. Utilizing USArray to image the structure and infer the evolution of the North-American Plate

    NASA Astrophysics Data System (ADS)

    van der Lee, S.; Lou, X.; Chang, S.; Bedle, H.

    2009-05-01

    Seismic tomography has long been a powerful tool for inferring present-day structural variations within the mantle in three dimensions, but does not provide explicit information on the evolution of the mantle. However, in conjunction with geodynamic modeling, mineral physcis, geology, tectonophysics, and geodesy, seismic tomography can provide critical clues to the evolution of the mantle and overlying continents. Moreover, current trends in seismic-tomographic inversion modeling, which combine ever more information from different types of seismic data in joint inversions, yield more exclusive (better constrained) models, simultaneously consistent with multiple types of data. Finally, and most relevant for North America, Earthscope has been providing the mix of data needed to conjecture the general and unique aspects of the past and future evolution of the North- American continent. We will present and discuss a number of recent seismic tomographic models in terms of similarities, differences, possible causes for these differences, compatibility with analyses of independent seismic data from USArray, and ability to predict waveforms from continental earthquakes. In particular, we compare tomographic models with relative delays from teleseismic P and S waves recorded by USArray and a number of completed seismic experiments further east, such as MOMA and Abitibi. We follow several lines of evidence that the dominant cause of spatial variations in seismic velocities in the upper mantle lies in spatial variations in mantle temperatures, closely linked to ongoing and past tectonic processes. While these tomographic models provide additional data to constrain the Cenozoic evolution of North America, such as images of the subducted trailing fragments of the Farallon Plate, they have intriguing features that might hold clues as to the tectonic future of the continent. In particular we speculate on how Farallon subduction on the western margin might have the potential to trigger future subduction on the eastern margin of North America.

  7. Quantum-dot blue light emitting diodes utilizing organic/inorganic hybrid structures

    NASA Astrophysics Data System (ADS)

    Wu, Feifei; Hu, Lian; Zhang, Bingpo; Li, Ruifeng; Wu, Huizhen

    2015-02-01

    We report blue color quantum-dot light-emitting diodes (QDLEDs) using an organic-inorganic hybrid structure and CdZnS-ZnS core-shell quantum-dot emitters. In the device organic ploy(3,4-ethylenedioxythiophene):ploy(styrene sulfonate) (PEDOT:PSS) and NN‧-bis(3-methylphenyl)-NN‧-bis(phenyl)-99-spiro-bifluorene (TPD) thin films are respectively used as the hole-injection layer (HIL) and the hole-transporting layer (HTL), and an inorganic ZnSnO thin film is used as the electron-transporting layer (ETL). In the blue QDLEDs, the function of the TPD-HTL is explored and it is found that the device employing a TPD-HTL exhibits much better optical characteristics compared with that having an identical device layout but without the TPD-HTL. The TPD HTL acts as a transition layer and offers a ladder for the injected holes from PEDOT:PSS to the QDs, leading to an more efficient hole injection. It is further found that the intensity ratio between surface-state emission (SSE) and band-edge emission (BEE) (RS/B) of the two devices shows significant difference at high bias voltages. The SSE becomes more prominent at higher bias voltage in the QDLEDs due to the imbalance injection of holes and electrons. The injected holes firstly encounter the excessive electrons accumulated at the surface of the charged QDs, thus the probability of hole-electron recombination at the QDs surface is greatly enhanced at high bias voltages.

  8. Full equations utilities (FEQUTL) model for the approximation of hydraulic characteristics of open channels and control structures during unsteady flow

    USGS Publications Warehouse

    Franz, Delbert D.; Melching, Charles S.

    1997-01-01

    The Full EQuations UTiLities (FEQUTL) model is a computer program for computation of tables that list the hydraulic characteristics of open channels and control structures as a function of upstream and downstream depths; these tables facilitate the simulation of unsteady flow in a stream system with the Full Equations (FEQ) model. Simulation of unsteady flow requires many iterations for each time period computed. Thus, computation of hydraulic characteristics during the simulations is impractical, and preparation of function tables and application of table look-up procedures facilitates simulation of unsteady flow. Three general types of function tables are computed: one-dimensional tables that relate hydraulic characteristics to upstream flow depth, two-dimensional tables that relate flow through control structures to upstream and downstream flow depth, and three-dimensional tables that relate flow through gated structures to upstream and downstream flow depth and gate setting. For open-channel reaches, six types of one-dimensional function tables contain different combinations of the top width of flow, area, first moment of area with respect to the water surface, conveyance, flux coefficients, and correction coefficients for channel curvilinearity. For hydraulic control structures, one type of one-dimensional function table contains relations between flow and upstream depth, and two types of two-dimensional function tables contain relations among flow and upstream and downstream flow depths. For hydraulic control structures with gates, a three-dimensional function table lists the system of two-dimensional tables that contain the relations among flow and upstream and downstream flow depths that correspond to different gate openings. Hydraulic control structures for which function tables containing flow relations are prepared in FEQUTL include expansions, contractions, bridges, culverts, embankments, weirs, closed conduits (circular, rectangular, and pipe-arch shapes), dam failures, floodways, and underflow gates (sluice and tainter gates). The theory for computation of the hydraulic characteristics is presented for open channels and for each hydraulic control structure. For the hydraulic control structures, the theory is developed from the results of experimental tests of flow through the structure for different upstream and downstream flow depths. These tests were done to describe flow hydraulics for a single, steady-flow design condition and, thus, do not provide complete information on flow transitions (for example, between free- and submerged-weir flow) that may result in simulation of unsteady flow. Therefore, new procedures are developed to approximate the hydraulics of flow transitions for culverts, embankments, weirs, and underflow gates.

  9. Utilizing Changes in Repeating Earthquakes to Monitor Evolving Processes and Structure Before and During Volcanic Eruptions

    NASA Astrophysics Data System (ADS)

    Hotovec-Ellis, Alicia

    Repeating earthquakes are two or more earthquakes that share the same source location and source mechanism, which results in the earthquakes having highly similar waveforms when recorded at a seismic instrument. Repeating earthquakes have been observed in a wide variety of environments: from fault systems (such as the San Andreas and Cascadia subduction zone), to hydrothermal areas and volcanoes. Volcano seismologists are particularly concerned with repeating earthquakes, as they have been observed at volcanoes along the entire range of eruptive style and are often a prominent feature of eruption seismicity. The behavior of repeating earthquakes sometimes changes with time, which possibly reflects subtle changes in the mechanism creating the earthquakes. In Chapter 1, we document an example of repeating earthquakes during the 2009 eruption of Redoubt volcano that became increasingly frequent with time, until they blended into harmonic tremor prior to several explosions. We interpreted the source of the earthquakes as stick-slip on a fault near the conduit that slipped increasingly often as the explosion neared in response to the build-up of pressure in the system. The waveforms of repeating earthquakes may also change, even if the behavior does not. We can quantify changes in waveform using the technique of coda wave interferometry to differentiate between changes in source and medium. In Chapters 2 and 3, we document subtle changes in the coda of repeating earthquakes related to small changes in the near-surface velocity structure at Mount St. Helens before and during its eruption in 2004. Velocity changes have been observed prior to several volcanic eruptions, are thought to occur in response to volumetric strain and the opening or closing of cracks in the subsurface. We compared continuous records of velocity change against other geophysical data, and found that velocities at Mount St. Helens change in response to snow loading, fluid saturation, shaking from large distant earthquakes, shallow pressurization, and possibly lava extrusion. Velocity changes at Mount St. Helens are a complex mix of many different effects, and other complementary data are required to interpret the signal.

  10. Mott metal-insulator transition induced by utilizing a glasslike structural ordering in low-dimensional molecular conductors

    NASA Astrophysics Data System (ADS)

    Hartmann, Benedikt; Mller, Jens; Sasaki, Takahiko

    2014-11-01

    We utilize a glasslike structural transition in order to induce a Mott metal-insulator transition in the quasi-two-dimensional organic charge-transfer salt ? -(BEDT-TTF)2Cu [N (CN)2Br ]. In this material, the terminal ethylene groups of the BEDT-TTF molecules can adopt two different structural orientations within the crystal structure, namely eclipsed (E) and staggered (S) with the relative orientation of the outer C-C bonds being parallel and canted, respectively. These two conformations are thermally disordered at room temperature and undergo a glasslike ordering transition at Tg75 K. When cooling through Tg, a small fraction that depends on the cooling rate remains frozen in the S configuration, which is of slightly higher energy, corresponding to a controllable degree of structural disorder. We demonstrate that, when thermally coupled to a low-temperature heat bath, a pulsed heating current through the sample causes a very fast relaxation with cooling rates at Tg of the order of several 1000 K /min . The freezing of the structural degrees of freedom causes a decrease of the electronic bandwidth W with increasing cooling rate, and hence a Mott metal-insulator transition as the system crosses the critical ratio (W/U ) c of bandwidth to on-site Coulomb repulsion U . Due to the glassy character of the transition, the effect is persistent below Tg and can be reversibly repeated by melting the frozen configuration upon warming above Tg. Both by exploiting the characteristics of slowly changing relaxation times close to this temperature and by controlling the heating power, the materials can be fine-tuned across the Mott transition. A simple model allows for an estimate of the energy difference between the E and S state as well as the accompanying degree of frozen disorder in the population of the two orientations.

  11. A structural analysis of the Midcontinent Rift in Michigan, based on a fault array analysis utilizing slickenside

    SciTech Connect

    Witthuhn, K.M.; Teyssier, C. . Dept. of Geology and Geophysics)

    1992-01-01

    The Midcontinent Rift is a 1.1 billion year old crustal structure which has been defined primarily on the basis of geophysical studies. It displays evidence of both rifting and subsequent closure. Many studies have examined the rift from a petrologic view but few have examined it in any detail from a structural geological viewpoint. This paper examines the structural aspects of the rift, elucidates the direction of closing, and constrains the timing of the system by utilizing paleostress stratigraphy. Establishment of the relative age and sense of movement on faults was accomplished by analyzing slickensides and crystallization on the fault plane. Detailed work on the Keweenaw Peninsula of Michigan suggests a southerly direction for the closing of the rift system, while similar work on Isle Royale suggests an east-southeasterly closing direction. Faults in both areas with opposite sense of movement (dextral vs. sinistral, normal vs. reverse) have similar attitudes indicating a reversal of maximum and minimum stress directions. Stress tensors from both limbs of the Lake Superior syncline were isolated using identical methods, suggesting the geometry or lithology of the system interfered with the manifestation of the far-field stresses. The results suggest then the direction of opening and closing of the rift was constrained by the geometry of the major and minor fault systems and anisotropies in the lava flows.

  12. Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

    ERIC Educational Resources Information Center

    Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

    2010-01-01

    A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key…

  13. Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units that Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database

    ERIC Educational Resources Information Center

    Battle, Gary M.; Allen, Frank H.; Ferrence, Gregory M.

    2010-01-01

    A series of online interactive teaching units have been developed that illustrate the use of experimentally measured three-dimensional (3D) structures to teach fundamental chemistry concepts. The units integrate a 500-structure subset of the Cambridge Structural Database specially chosen for their pedagogical value. The units span a number of key

  14. Simultaneous precision positioning and vibration suppression of an intelligent composite satellite structure utilizing piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Doherty, Kathleen Marie

    Adaptive or intelligent structures which have the capability for sensing and responding to their environment promise a novel approach to satisfying the stringent performance requirements of future space missions. This research effort focuses on the development of a smart thruster mount truss structure with precision positioning and active vibration suppression capability for use in a space satellite. The smart thruster mount would utilize piezoelectric sensors and actuators for precision positioning to provide fine tuning of position tolerance for thruster alignment. The same structure may be used for suppressing the vibration that resonates throughout the spacecraft during thruster firing. This vibration renders sensitive optical or measurement equipment non-operational until the disturbance has dissipated. This smart system approach would greatly enhance mission performance by fine tuning attitude control, potentially eliminating the nonoperational period as well as minimizing fuel consumption utilized for position correction. The configuration of the smart thruster mount truss system is that of a modified Stewart platform. Precision positioning of the truss structure is achieved using active members which extend or contract to tilt the upper platform where the thruster is mounted. An inverse kinematic analysis of a modified Stewart platform has been developed and is used to determine the required axial displacement of the active struts for the desired angular tilt of the smart platform. Experimental data is used to verify the precision positioning capabilities of the active struts. This information demonstrates the ability of the active strut to tilt the top of the smart platform by the required angular displacement. Analytical verification of the vibration suppression capabilities of the active struts in the smart composite platform using finite element analysis is presented. A model of an active strut with surface mounted sensors/actuators was used to develop a vibration suppression scheme. This technique was used successfully to analytically demonstrate both the lateral and axial vibration suppression capability of the active strut. The numerical and experimental results show that the proposed smart platform offers a promising method for achieving fine tuning of positioning tolerances of a thruster as well as minimizing the effect of the disturbance generated during thruster firing.

  15. Relating Indices of Knowledge Structure Coherence and Accuracy to Skill-Based Performance: Is There Utility in Using a Combination of Indices?

    ERIC Educational Resources Information Center

    Schuelke, Matthew J.; Day, Eric Anthony; McEntire, Lauren E.; Boatman, Paul R.; Boatman, Jazmine Espejo; Kowollik, Vanessa; Wang, Xiaoqian

    2009-01-01

    The authors examined the relative criterion-related validity of knowledge structure coherence and two accuracy-based indices (closeness and correlation) as well as the utility of using a combination of knowledge structure indices in the prediction of skill acquisition and transfer. Findings from an aggregation of 5 independent samples (N = 958)

  16. An exploration of an alternative rate structure as a means of integrating equity and efficiency in a municipally owned natural gas distribution utility

    SciTech Connect

    Lynch, D.A.

    1989-01-01

    After two decades of a somewhat golden age for gas utilities and regulators, the 1970's saw a changing energy market characterized by curtailments and allocations in the natural gas industry. The Natural Gas Policy Act of 1978 provided incentives for new supplies but at increased prices. During a period of rapidly calculating natural gas prices (1979-1984), municipal owned public utility operators were criticized for not meeting the needs of the poor and other deprived members of society. The thesis of this paper is that this criticism of operators of municipal owned natural gas utilities stemmed from the observer conceiving of the utility as a social agency of government. This paper investigates the background of the problem and public utilities' obligations because of their status as regulated monopolies. The municipal owned natural gas utility's responsibility in meeting the social functions of government are considered. This paper argues that such a utility should be viewed as a business not a societal agency. Use of a utility's rate structure for satisfying the dictates of a system of distributive justice is investigated. The attempts made by state and local governments (moratoriums on delinquent shutoffs, lifeline rates, etc.) have been ineffective and counter productive. The utility's duty to offer service to all who request it; without discrimination among people similarly situated; to the limit of its capacity is considered with consumers duty to pay just bills. Arguments show that the rate structure, not quantity delivered, is the crucial factor in assuring distributive justice. Pricing is viewed from a philosophical perspective also an economic perspective. The only need identified for equity and economic efficiency is in rate structures.

  17. New Insight into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine

    PubMed Central

    Polo, Luis Mariano; Gil-Ortiz, Fernando; Cantín, Angel; Rubio, Vicente

    2012-01-01

    Transcarbamylases reversibly transfer a carbamyl group from carbamylphosphate (CP) to an amine. Although aspartate transcarbamylase and ornithine transcarbamylase (OTC) are well characterized, little was known about putrescine transcarbamylase (PTC), the enzyme that generates CP for ATP production in the fermentative catabolism of agmatine. We demonstrate that PTC (from Enterococcus faecalis), in addition to using putrescine, can utilize L-ornithine as a poor substrate. Crystal structures at 2.5 Å and 2.0 Å resolutions of PTC bound to its respective bisubstrate analog inhibitors for putrescine and ornithine use, N-(phosphonoacetyl)-putrescine and δ-N-(phosphonoacetyl)-L-ornithine, shed light on PTC preference for putrescine. Except for a highly prominent C-terminal helix that projects away and embraces an adjacent subunit, PTC closely resembles OTCs, suggesting recent divergence of the two enzymes. Since differences between the respective 230 and SMG loops of PTC and OTC appeared to account for the differential preference of these enzymes for putrescine and ornithine, we engineered the 230-loop of PTC to make it to resemble the SMG loop of OTCs, increasing the activity with ornithine and greatly decreasing the activity with putrescine. We also examined the role of the C-terminal helix that appears a constant and exclusive PTC trait. The enzyme lacking this helix remained active but the PTC trimer stability appeared decreased, since some of the enzyme eluted as monomers from a gel filtration column. In addition, truncated PTC tended to aggregate to hexamers, as shown both chromatographically and by X-ray crystallography. Therefore, the extra C-terminal helix plays a dual role: it stabilizes the PTC trimer and, by shielding helix 1 of an adjacent subunit, it prevents the supratrimeric oligomerizations of obscure significance observed with some OTCs. Guided by the structural data we identify signature traits that permit easy and unambiguous annotation of PTC sequences. PMID:22363663

  18. Method for visual display and analysis of subsurface rock properties and structure utilizing colored magnetotelluric transfer functions

    SciTech Connect

    McEnen, R.B.

    1989-03-07

    A method or process is described for visual display and analysis of subsurface geologic structure and rock properties utilizing for a common sequence of magnetotelluric wave periods, sequences of the standard impedance polar diagram input parameters, comprising the steps of: (a) displaying in three dimensional perspective properly oriented field survey impedance polar diagrams and model-derived impedance polar diagrams as a function of probing depth, (b) determining for each wave period for which field survey and model derived values are available a vector difference polar diagram equal to a vector difference between a field survey impedance polar diagram and the corresponding model-derived impedance polar diagram, and displaying the vector difference polar diagram at a probing depth derived from the corresponding field survey measurements, (c) displaying the model of the survey area used to obtain the model derived polar diagrams in the same perspective as the model-derived polar diagrams, and (d) rotating an apparent viewing volume along with the field-survey, the model-derived and the vector difference polar diagrams displayed therein, so as to allow a viewing of the field survey, model-derived and vector difference polar diagrams in a different perspective.

  19. Co thickness dependence of structural and magnetic properties in spin quantum cross devices utilizing stray magnetic fields

    NASA Astrophysics Data System (ADS)

    Kaiju, H.; Kasa, H.; Komine, T.; Mori, S.; Misawa, T.; Abe, T.; Nishii, J.

    2015-05-01

    We investigate the Co thickness dependence of the structural and magnetic properties of Co thin-film electrodes sandwiched between borate glasses in spin quantum cross (SQC) devices that utilize stray magnetic fields. We also calculate the Co thickness dependence of the stray field between the two edges of Co thin-film electrodes in SQC devices using micromagnetic simulation. The surface roughness of Co thin films with a thickness of less than 20 nm on borate glasses is shown to be as small as 0.18 nm, at the same scanning scale as the Co film thickness, and the squareness of the hysteresis loop is shown to be as large as 0.96-1.0. As a result of the establishment of polishing techniques for Co thin-film electrodes sandwiched between borate glasses, we successfully demonstrate the formation of smooth Co edges and the generation of stray magnetic fields from Co edges. Theoretical calculation reveals that a strong stray field beyond 6 kOe is generated when the Co thickness is greater than 10 nm at a junction gap distance of 5 nm. From these experimental and calculation results, it can be concluded that SQC devices with a Co thickness of 10-20 nm can be expected to function as spin-filter devices.

  20. Co thickness dependence of structural and magnetic properties in spin quantum cross devices utilizing stray magnetic fields

    SciTech Connect

    Kaiju, H. Kasa, H.; Mori, S.; Misawa, T.; Abe, T.; Nishii, J.; Komine, T.

    2015-05-07

    We investigate the Co thickness dependence of the structural and magnetic properties of Co thin-film electrodes sandwiched between borate glasses in spin quantum cross (SQC) devices that utilize stray magnetic fields. We also calculate the Co thickness dependence of the stray field between the two edges of Co thin-film electrodes in SQC devices using micromagnetic simulation. The surface roughness of Co thin films with a thickness of less than 20 nm on borate glasses is shown to be as small as 0.18 nm, at the same scanning scale as the Co film thickness, and the squareness of the hysteresis loop is shown to be as large as 0.96–1.0. As a result of the establishment of polishing techniques for Co thin-film electrodes sandwiched between borate glasses, we successfully demonstrate the formation of smooth Co edges and the generation of stray magnetic fields from Co edges. Theoretical calculation reveals that a strong stray field beyond 6 kOe is generated when the Co thickness is greater than 10 nm at a junction gap distance of 5 nm. From these experimental and calculation results, it can be concluded that SQC devices with a Co thickness of 10–20 nm can be expected to function as spin-filter devices.

  1. Microbial resource utilization traits and trade-offs: implications for community structure, functioning, and biogeochemical impacts at present and in the future

    PubMed Central

    Litchman, Elena; Edwards, Kyle F.; Klausmeier, Christopher A.

    2015-01-01

    Trait-based approaches provide a mechanistic framework to understand and predict the structure and functioning of microbial communities. Resource utilization traits and trade-offs are among key microbial traits that describe population dynamics and competition among microbes. Several important trade-offs have been identified for prokaryotic and eukaryotic microbial taxa that define contrasting ecological strategies and contribute to species coexistence and diversity. The shape, dimensionality, and hierarchy of trade-offs may determine coexistence patterns and need to be better characterized. Laboratory measured resource utilization traits can be used to explain temporal and spatial structure and dynamics of natural microbial communities and predict biogeochemical impacts. Global environmental change can alter microbial community composition through altering resource utilization by different microbes and, consequently, may modify biogeochemical impacts of microbes. PMID:25904900

  2. Lignin-based monomers: Utilization in high-performance polymers and the effects of their structures on polymer properties

    NASA Astrophysics Data System (ADS)

    Stanzione, Joseph F., III

    With the uncertainty of petroleum reserves and future crude oil prices, lignocellulosic biomass is becoming an increasingly valuable resource for the sustainable development of fuels, chemicals, and materials, including vinyl ester resins (VERs). Petroleum-based VERs are used to produce polymer composites for a wide variety of commercial applications. Although possessing relatively high moduli, strengths, and glass transition temperatures, commercial VERs typically contain high concentrations of a reactive diluent, such as styrene. However, these reactive diluents are often considered hazardous air pollutants (HAPs), volatile organic compounds (VOCs), and anticipated carcinogens. Moreover, bisphenol-A, which has gained considerable attention due to potential associated health-related issues, is utilized as a precursor in the synthesis of VERs. A green chemistry and engineering approach in the development of new VERs and renewable reactive diluents that are based on lignin is presented in this dissertation. Lignin, which is currently an abundant, renewable waste product of the paper and pulping industry, is primarily burned as a low value fuel. However, lignin has the potential to be a low cost feedstock in future lignocellulosic biorefineries that could yield highly valuable aromatic chemicals (lignin model compounds, LMCs) when strategically depolymerized. The incorporation of aromaticity in a resin's chemical structure is known to improve overall polymer composite performance and the high aromatic content found in lignin is ideal for novel resin development. Highlighted in this dissertation are three projects: (1) the synthesis and characterization of a lignin-based bio-oil resin/reactive diluent, (2) the use of functionalized LMCs as styrene replacements in VERs, and (3) the synthesis and characterization of a vanillin-based resin. Through the use of traditional and new polymer theory coupled with spectroscopic, thermal, and mechanical techniques, structure-property relationships are identified and related to polymer performance. These findings have important implications for the optimization and design of polymer composites that are based on sustainable resources and processes, are petroleum-independent, and have reduced toxicity with beneficial environmental impacts. In addition, these findings provide the incentive for continued investment in using lignin as a respected materials' feedstock. Lastly, several lignin-related research opportunities of scientific and commercial interest are recommended.

  3. The Incremental Utility of Behavioral Rating Scales and a Structured Diagnostic Interview in the Assessment of Attention-Deficit/Hyperactivity Disorder

    ERIC Educational Resources Information Center

    Vaughn, Aaron J.; Hoza, Betsy

    2013-01-01

    The current study examined the incremental utility of rating scales, a structured diagnostic interview, and multiple informants in a comprehensive assessment of attention-deficit/hyperactivity disorder (ADHD). The sample included 185 children with ADHD (M[subscript age] = 9.22, SD = 0.95) and 82 children without ADHD (M[subscript age] = 9.24, SD =

  4. The Incremental Utility of Behavioral Rating Scales and a Structured Diagnostic Interview in the Assessment of Attention-Deficit/Hyperactivity Disorder

    ERIC Educational Resources Information Center

    Vaughn, Aaron J.; Hoza, Betsy

    2013-01-01

    The current study examined the incremental utility of rating scales, a structured diagnostic interview, and multiple informants in a comprehensive assessment of attention-deficit/hyperactivity disorder (ADHD). The sample included 185 children with ADHD (M[subscript age] = 9.22, SD = 0.95) and 82 children without ADHD (M[subscript age] = 9.24, SD =…

  5. Biofunctional constituent isolated from Citrullus colocynthis fruits and structure-activity relationships of its analogues show acaricidal and insecticidal efficacy.

    PubMed

    Jeon, Ju-Hyun; Lee, Hoi-Seon

    2014-08-27

    The acaricidal and insecticidal potential of the active constituent isolated from Citrullus colocynthis fruits and its structurally related analogues was evaluated by performing leaf disk, contact toxicity, and fumigant toxicity bioassays against Tetranychus urticae, Sitophilus oryzae, and Sitophilus zeamais adults. The active constituent of C. colocynthis fruits was isolated by chromatographic techniques and was identified as 4-methylquinoline on the basis of spectroscopic analyses. To investigate the structure-activity relationships, 4-methylquinoline and its structural analogues were tested against mites and two insect pests. On the basis of the LC50 values, 7,8-benzoquinoline was the most effective against T. urticae. Quinoline, 8-hydroxyquinoline, 2-methylquinoline, 4-methylquinoline, 6-methylquinoline, 8-methylquinoline, and 7,8-benzoquinoline showed high insecticidal activities against S. oryzae and S. zeamais regardless of the application method. These results indicate that introduction of a functional group into the quinoline skeleton and changing the position of the group have an important influence on the acaricidal and insecticidal activities. Furthermore, 4-methylquinoline isolated from C. colocynthis fruits, along with its structural analogues, could be effective natural pesticides for managing spider mites and stored grain weevils. PMID:25110971

  6. Structural and spectroscopic characterizations of tetra-nuclear niobium(V) complexes of quinolinol derivatives.

    PubMed

    Amini, Mostafa M; Fazaeli, Yousef; Mohammadnezhad, Gholamhossein; Khavasi, Hamid Reza

    2015-06-01

    Reactions between niobium ethoxide and 8-hydroxy-2-methylquinoline or 5-chloro-8-hydroxyquinoline have been explored. Two new tetranuclear heteroleptic niobium complexes containing oxo, ethoxo, and quinolinate chelate rings have been synthesized and characterized by (1)H, (13)C and (93)Nb NMR, UV-Vis, and FT-IR spectroscopies, and single-crystal X-ray diffraction. The molecular structures of the niobium complexes, [Nb4(μ-O)4(μ-OEt)2(ONC10H8)2(OEt)8] (I) and [Nb4(μ-O)4(μ-OEt)2(ONC9H5Cl)2(OEt)8] (II), are composed of a pair of edge-sharing bioctahedral moieties in which connected via two almost linear oxo-bridges, with a large difference in the NbO distances. Single-crystal structures showed both complexes are centrosymmetric and contain two distinct Nb centers, and results confirmed by observation of two niobium signals in the (93)Nb NMR spectra of complexes. PMID:25756687

  7. Comparative study of optoelectronic properties of various Europium complexes used in organic electroluminescent structures

    NASA Astrophysics Data System (ADS)

    Chakaroun, M.; Antony, R.; Demadrille, R.; Moliton, A.

    2006-04-01

    In order to obtain a red emission with organic electroluminescent device, we realized multilayer structures using various Europium complexes as emitting layer. The multilayer structures were obtained with the emitting layer deposited on a ITO substrate; a 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP) layer was used as hole blocking layer and a tris-(8-hydroxyquinoline) aluminium (Alq3) layer as electron transport layer. Cathode of the devices was realized with a calcium layer covered with an protective aluminium layer. Two different europium complexes have been tested: Eu (TTA) 3 phen (TTA = thenoyltrifluoroacetone), Eu (DTP) 3 (dipphen) (DTP = 1,3-di(2-thienyl)propane-1,3-dione, dipphen = 4,7-Diphenyl-1,10-phenanthroline) The Europium complexes were inserted in a poly-9-vinylcarbazole (PVK) matrix and the "spin-coating" process was used to obtain the emitting layers. The maximum emission of the OLEDs are centered around 610 nm according to the 5D 0 --> 7F II transition of the rare earth. Europium complexes absorption spectra in chloroform and electroluminescence spectra are presented. Current-voltage and luminance-voltage characteristics are also presented and we discuss about the results obtained with various molar concentration of Europium complexes in the PVK matrix.

  8. Structure monitor system by using optical fiber sensor and watching camera in utility tunnel in urban area

    NASA Astrophysics Data System (ADS)

    Nakano, Masahiro; Torigoe, Toshihiko; Kawano, Masaru

    2011-09-01

    This paper reports the measurement results of the utility tunnel (electric power and communication) according to the adjacent expressway construction. And moreover, the surveillance camera for the monitor is connected to the network, set up in joint premises in this measurement, and it reports on the content observed overall.

  9. Labview utilities

    Energy Science and Technology Software Center (ESTSC)

    2011-09-30

    The software package provides several utilities written in LabView. These utilities don't form independent programs, but rather can be used as a library or controls in other labview programs. The utilities include several new controls (xcontrols), VIs for input and output routines, as well as other 'helper'-functions not provided in the standard LabView environment.

  10. Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

    PubMed

    Rysavy, Steven J; Beck, David A C; Daggett, Valerie

    2014-11-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ? 25-75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

  11. Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

    PubMed Central

    Rysavy, Steven J; Beck, David AC; Daggett, Valerie

    2014-01-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ?2575% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

  12. International utilization and operations

    NASA Technical Reports Server (NTRS)

    Goldberg, Stanley R.

    1989-01-01

    The international framework of the Space Station Freedom Program is described. The discussion covers the U.S. space policy, international agreements, international Station elements, overall program management structure, and utilization and operations management. Consideration is also given to Freedom's user community, Freedom's crew, pressurized payload and attached payload accommodations, utilization and operations planning, user integration, and user operations.

  13. Assessment of the utility of contact-based restraints in accelerating the prediction of protein structure using molecular dynamics simulations.

    PubMed

    Raval, Alpan; Piana, Stefano; Eastwood, Michael P; Shaw, David E

    2016-01-01

    Molecular dynamics (MD) simulation is a well-established tool for the computational study of protein structure and dynamics, but its application to the important problem of protein structure prediction remains challenging, in part because extremely long timescales can be required to reach the native structure. Here, we examine the extent to which the use of low-resolution information in the form of residue-residue contacts, which can often be inferred from bioinformatics or experimental studies, can accelerate the determination of protein structure in simulation. We incorporated sets of 62, 31, or 15 contact-based restraints in MD simulations of ubiquitin, a benchmark system known to fold to the native state on the millisecond timescale in unrestrained simulations. One-third of the restrained simulations folded to the native state within a few tens of microseconds-a speedup of over an order of magnitude compared with unrestrained simulations and a demonstration of the potential for limited amounts of structural information to accelerate structure determination. Almost all of the remaining ubiquitin simulations reached near-native conformations within a few tens of microseconds, but remained trapped there, apparently due to the restraints. We discuss potential methodological improvements that would facilitate escape from these near-native traps and allow more simulations to quickly reach the native state. Finally, using a target from the Critical Assessment of protein Structure Prediction (CASP) experiment, we show that distance restraints can improve simulation accuracy: In our simulations, restraints stabilized the native state of the protein, enabling a reasonable structural model to be inferred. PMID:26266489

  14. Structure-Property Relationships of Polymer Brushes in Restricted Geometries and their Utilization as Ultra-Low Lubricants

    SciTech Connect

    Kuhl, Tonya Lynn; Faller, Roland

    2015-09-28

    Though polymer films are widely used to modify or tailor the physical, chemical and mechanical properties of interfaces in both solid and liquid systems, the rational design of interface- or surface-active polymer modifiers has been hampered by a lack of information about the behavior and structure-property relationships of this class of molecules. This is especially true for systems in which the role of the polymer is to modify the interaction between two solid surfaces in intimate contact and under load, to cause them to be mechanically coupled (e.g. to promote adhesion and wetting) or to minimize their interaction (e.g. lubrication, colloidal stabilization, etc.). Detailed structural information on these systems has largely been precluded by the many difficulties and challenges associated with direct experimental measurements of polymer structure in these geometries. As a result, many practitioners have been forced to employ indirect measurements or rely wholly on theoretical modeling. This has resulted in an incomplete understanding of the structure-property relationships, which are relied upon for the rational design of improved polymer modifiers. Over the course of this current research program, we made direct measurements of the structure of polymers at the interface between two solid surfaces under confinement and elucidated the fundamental physics behind these phenomena using atomistic and coarse grained simulations. The research has potential to lead to new lubricants and wear reducing agents to improve efficiency.

  15. A magnetic-piezoelectric smart material-structure utilizing magnetic force interaction to optimize the sensitivity of current sensing

    NASA Astrophysics Data System (ADS)

    Yeh, Po-Chen; Chung, Tien-Kan; Lai, Chen-Hung; Wang, Chieh-Min

    2016-01-01

    This paper presents a magnetic-piezoelectric smart material-structure using a novel magnetic-force-interaction approach to optimize the sensitivity of conventional piezoelectric current sensing technologies. The smart material-structure comprises a CuBe-alloy cantilever beam, a piezoelectric PZT sheet clamped to the fixed end of the beam, and an NdFeB permanent magnet mounted on the free end of the beam. When the smart material-structure is placed close to an AC conductor, the magnet on the beam of the smart structure experiences an alternating magnetic attractive and repulsive force produced by the conductor. Thus, the beam vibrates and subsequently generates a strain in the PZT sheet. The strain produces a voltage output because of the piezoelectric effect. The magnetic force interaction is specifically enhanced through the optimization approach (i.e., achieved by using SQUID and machining method to reorient the magnetization to different directions to maximize the magnetic force interaction). After optimizing, the beam's vibration amplitude is significantly enlarged and, consequently, the voltage output is substantially increased. The experimental results indicated that the smart material-structure optimized by the proposed approach produced a voltage output of 4.01 Vrms with a sensitivity of 501 m Vrms/A when it was placed close to a conductor with a current of 8 A at 60 Hz. The optimized voltage output and sensitivity of the proposed smart structure were approximately 316 % higher than those (1.27 Vrms with 159 m Vrms/A) of representative piezoelectric-based current sensing technologies presented in other studies. These improvements can significantly enable the development of more self-powered wireless current sensing applications in the future.

  16. Monte Carlo simulation of ionizing radiation induced DNA strand breaks utilizing coarse grained high-order chromatin structures.

    PubMed

    Liang, Ying; Yang, Gen; Liu, Feng; Wang, Yugang

    2016-01-01

    Ionizing radiation threatens genome integrity by causing DNA damage. Monte Carlo simulation of the interaction of a radiation track structure with DNA provides a powerful tool for investigating the mechanisms of the biological effects. However, the more or less oversimplification of the indirect effect and the inadequate consideration of high-order chromatin structures in current models usually results in discrepancies between simulations and experiments, which undermine the predictive role of the models. Here we present a biophysical model taking into consideration factors that influence indirect effect to simulate radiation-induced DNA strand breaks in eukaryotic cells with high-order chromatin structures. The calculated yields of single-strand breaks and double-strand breaks (DSBs) for photons are in good agreement with the experimental measurements. The calculated yields of DSB for protons and ? particles are consistent with simulations by the PARTRAC code, whereas an overestimation is seen compared with the experimental results. The simulated fragment size distributions for (60)Co ? irradiation and ? particle irradiation are compared with the measurements accordingly. The excellent agreement with (60)Co irradiation validates our model in simulating photon irradiation. The general agreement found in ? particle irradiation encourages model applicability in the high linear energy transfer range. Moreover, we demonstrate the importance of chromatin high-order structures in shaping the spectrum of initial damage. PMID:26675481

  17. Monte Carlo simulation of ionizing radiation induced DNA strand breaks utilizing coarse grained high-order chromatin structures

    NASA Astrophysics Data System (ADS)

    Liang, Ying; Yang, Gen; Liu, Feng; Wang, Yugang

    2016-01-01

    Ionizing radiation threatens genome integrity by causing DNA damage. Monte Carlo simulation of the interaction of a radiation track structure with DNA provides a powerful tool for investigating the mechanisms of the biological effects. However, the more or less oversimplification of the indirect effect and the inadequate consideration of high-order chromatin structures in current models usually results in discrepancies between simulations and experiments, which undermine the predictive role of the models. Here we present a biophysical model taking into consideration factors that influence indirect effect to simulate radiation-induced DNA strand breaks in eukaryotic cells with high-order chromatin structures. The calculated yields of single-strand breaks and double-strand breaks (DSBs) for photons are in good agreement with the experimental measurements. The calculated yields of DSB for protons and α particles are consistent with simulations by the PARTRAC code, whereas an overestimation is seen compared with the experimental results. The simulated fragment size distributions for 60Co γ irradiation and α particle irradiation are compared with the measurements accordingly. The excellent agreement with 60Co irradiation validates our model in simulating photon irradiation. The general agreement found in α particle irradiation encourages model applicability in the high linear energy transfer range. Moreover, we demonstrate the importance of chromatin high-order structures in shaping the spectrum of initial damage.

  18. An Inverse Interpolation Method Utilizing In-Flight Strain Measurements for Determining Loads and Structural Response of Aerospace Vehicles

    NASA Technical Reports Server (NTRS)

    Shkarayev, S.; Krashantisa, R.; Tessler, A.

    2004-01-01

    An important and challenging technology aimed at the next generation of aerospace vehicles is that of structural health monitoring. The key problem is to determine accurately, reliably, and in real time the applied loads, stresses, and displacements experienced in flight, with such data establishing an information database for structural health monitoring. The present effort is aimed at developing a finite element-based methodology involving an inverse formulation that employs measured surface strains to recover the applied loads, stresses, and displacements in an aerospace vehicle in real time. The computational procedure uses a standard finite element model (i.e., "direct analysis") of a given airframe, with the subsequent application of the inverse interpolation approach. The inverse interpolation formulation is based on a parametric approximation of the loading and is further constructed through a least-squares minimization of calculated and measured strains. This procedure results in the governing system of linear algebraic equations, providing the unknown coefficients that accurately define the load approximation. Numerical simulations are carried out for problems involving various levels of structural approximation. These include plate-loading examples and an aircraft wing box. Accuracy and computational efficiency of the proposed method are discussed in detail. The experimental validation of the methodology by way of structural testing of an aircraft wing is also discussed.

  19. Utilization of high resolution computed tomography to visualize the three dimensional structure and function of plant vasculature

    Technology Transfer Automated Retrieval System (TEKTRAN)

    High resolution x-ray computed tomography (HRCT) is a non-destructive diagnostic imaging technique with sub-micron resolution capability that is now being used to evaluate the structure and function of plant xylem network in three dimensions (3D). HRCT imaging is based on the same principles as medi...

  20. Genetic diversity, population structure, conservation and utilization of Theobroma cacao L., genetic resources in the Dominican Republic

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cacao (Theobroma cacao L.) is a significant agricultural commodity in the Dominican Republic, which ranks 11th in the world and number one in organic cacao exports. In an effort to identify propagation mistakes, and estimate genetic diversity and population structure in cacao germplasm accessions a...

  1. Load monitoring of aerospace structures utilizing micro-electro-mechanical systems for static and quasi-static loading conditions

    NASA Astrophysics Data System (ADS)

    Martinez, M.; Rocha, B.; Li, M.; Shi, G.; Beltempo, A.; Rutledge, R.; Yanishevsky, M.

    2012-11-01

    The National Research Council Canada (NRC) has worked on the development of structural health monitoring (SHM) test platforms for assessing the performance of sensor systems for load monitoring applications. The first SHM platform consists of a 5.5 m cantilever aluminum beam that provides an optimal scenario for evaluating the ability of a load monitoring system to measure bending, torsion and shear loads. The second SHM platform contains an added level of structural complexity, by consisting of aluminum skins with bonded/riveted stringers, typical of an aircraft lower wing structure. These two load monitoring platforms are well characterized and documented, providing loading conditions similar to those encountered during service. In this study, a micro-electro-mechanical system (MEMS) for acquiring data from triads of gyroscopes, accelerometers and magnetometers is described. The system was used to compute changes in angles at discrete stations along the platforms. The angles obtained from the MEMS were used to compute a second, third or fourth order degree polynomial surface from which displacements at every point could be computed. The use of a new Kalman filter was evaluated for angle estimation, from which displacements in the structure were computed. The outputs of the newly developed algorithms were then compared to the displacements obtained from the linear variable displacement transducers connected to the platforms. The displacement curves were subsequently post-processed either analytically, or with the help of a finite element model of the structure, to estimate strains and loads. The estimated strains were compared with baseline strain gauge instrumentation installed on the platforms. This new approach for load monitoring was able to provide accurate estimates of applied strains and shear loads.

  2. Construction of Zinc Oxide into Different Morphological Structures to Be Utilized as Antimicrobial Agent against Multidrug Resistant Bacteria.

    PubMed

    Elkady, M F; Shokry Hassan, H; Hafez, Elsayed E; Fouad, Ahmed

    2015-01-01

    Nano-ZnO has been successfully implemented in particles, rods, and tubes nanostructures via sol-gel and hydrothermal techniques. The variation of the different preparation parameters such as reaction temperature, time, and stabilizer agents was optimized to attain different morphological structures. The influence of the microwave annealing process on ZnO crystallinity, surface area, and morphological structure was monitored using XRD, BET, and SEM techniques, respectively. The antimicrobial activity of zinc oxide produced in nanotubes structure was examined against four different multidrug resistant bacteria: Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) strains. The activity of produced nano-ZnO was determined by disc diffusion technique and the results revealed that ZnO nanotubes recorded high activity against the studied strains due to their high surface area equivalent to 17.8 m(2)/g. The minimum inhibitory concentration (MIC) of ZnO nanotubes showed that the low concentrations of ZnO nanotubes could be a substitution for the commercial antibiotics when approached in suitable formula. Although the annealing process of ZnO improves the degree of material crystallinity, however, it declines its surface area and consequently its antimicrobial activity. PMID:26451136

  3. Construction of Zinc Oxide into Different Morphological Structures to Be Utilized as Antimicrobial Agent against Multidrug Resistant Bacteria

    PubMed Central

    Elkady, M. F.; Shokry Hassan, H.; Hafez, Elsayed E.; Fouad, Ahmed

    2015-01-01

    Nano-ZnO has been successfully implemented in particles, rods, and tubes nanostructures via sol-gel and hydrothermal techniques. The variation of the different preparation parameters such as reaction temperature, time, and stabilizer agents was optimized to attain different morphological structures. The influence of the microwave annealing process on ZnO crystallinity, surface area, and morphological structure was monitored using XRD, BET, and SEM techniques, respectively. The antimicrobial activity of zinc oxide produced in nanotubes structure was examined against four different multidrug resistant bacteria: Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) strains. The activity of produced nano-ZnO was determined by disc diffusion technique and the results revealed that ZnO nanotubes recorded high activity against the studied strains due to their high surface area equivalent to 17.8 m2/g. The minimum inhibitory concentration (MIC) of ZnO nanotubes showed that the low concentrations of ZnO nanotubes could be a substitution for the commercial antibiotics when approached in suitable formula. Although the annealing process of ZnO improves the degree of material crystallinity, however, it declines its surface area and consequently its antimicrobial activity. PMID:26451136

  4. Influence of the Photorhabdus luminescens phosphomannose isomerase gene, manA, on mannose utilization, exopolysaccharide structure, and biofilm formation.

    PubMed

    Amos, Matthew R; Sanchez-Contreras, Maria; Jackson, Robert W; Muoz-Berbel, Xavier; Ciche, Todd A; Yang, Guowei; Cooper, Richard M; Waterfield, Nicholas R

    2011-02-01

    Extracellular polysaccharide (EPS) is produced by diverse bacterial pathogens and fulfills assorted roles, including providing a structural matrix for biofilm formation and more specific functions in virulence, such as protection against immune defenses. We report here the first investigation of some of the genes important for biofilm formation in Photorhabdus luminescens and demonstrate the key role of the phosphomannose isomerase gene, manA, in the structure of functional EPS. Phenotypic analyses of a manA-deficient mutant showed the importance of EPS in motility, insect virulence, and biofilm formation on abiotic surfaces as well as the requirement of this gene for the use of mannose as the sole carbon source. Conversely, this defect had no apparent impact on symbiosis with the heterorhabditid nematode vector. A more detailed analysis of biofilm formation revealed that the manA mutant was able to attach to surfaces with the same efficiency as that of the wild-type strain but could not develop the more extended biofilm matrix structures. A compositional analysis of P. luminescens EPS reveals how the manA mutation has a major effect on the formation of a complete, branched EPS. PMID:21148694

  5. Influence of the Photorhabdus luminescens Phosphomannose Isomerase Gene, manA, on Mannose Utilization, Exopolysaccharide Structure, and Biofilm Formation ?

    PubMed Central

    Amos, Matthew R.; Sanchez-Contreras, Maria; Jackson, Robert W.; Muoz-Berbel, Xavier; Ciche, Todd A.; Yang, Guowei; Cooper, Richard M.; Waterfield, Nicholas R.

    2011-01-01

    Extracellular polysaccharide (EPS) is produced by diverse bacterial pathogens and fulfills assorted roles, including providing a structural matrix for biofilm formation and more specific functions in virulence, such as protection against immune defenses. We report here the first investigation of some of the genes important for biofilm formation in Photorhabdus luminescens and demonstrate the key role of the phosphomannose isomerase gene, manA, in the structure of functional EPS. Phenotypic analyses of a manA-deficient mutant showed the importance of EPS in motility, insect virulence, and biofilm formation on abiotic surfaces as well as the requirement of this gene for the use of mannose as the sole carbon source. Conversely, this defect had no apparent impact on symbiosis with the heterorhabditid nematode vector. A more detailed analysis of biofilm formation revealed that the manA mutant was able to attach to surfaces with the same efficiency as that of the wild-type strain but could not develop the more extended biofilm matrix structures. A compositional analysis of P. luminescens EPS reveals how the manA mutation has a major effect on the formation of a complete, branched EPS. PMID:21148694

  6. Environmental impact assessment using a utility-based recursive evidential reasoning approach for structural flood mitigation measures in Metro Manila, Philippines.

    PubMed

    Gilbuena, Romeo; Kawamura, Akira; Medina, Reynaldo; Nakagawa, Naoko; Amaguchi, Hideo

    2013-12-15

    In recent years, the practice of environmental impact assessment (EIA) has created significant awareness on the role of environmentally sound projects in sustainable development. In view of the recent studies on the effects of climate change, the Philippine government has given high priority to the construction of flood control structures to alleviate the destructive effects of unmitigated floods, especially in highly urbanized areas like Metro Manila. EIA thus, should be carefully and effectively carried out to maximize or optimize the potential benefits that can be derived from structural flood mitigation measures (SFMMs). A utility-based environmental assessment approach may significantly aid flood managers and decision-makers in planning for effective and environmentally sound SFMM projects. This study proposes a utility-based assessment approach using the rapid impact assessment matrix (RIAM) technique, coupled with the evidential reasoning approach, to rationally and systematically evaluate the ecological and socio-economic impacts of 4 planned SFMM projects (i.e. 2 river channel improvements and 2 new open channels) in Metro Manila. Results show that the overall environmental effects of each of the planned SFMM projects are positive, which indicate that the utility of the positive impacts would generally outweigh the negative impacts. The results also imply that the planned river channel improvements will yield higher environmental benefits over the planned open channels. This study was able to present a clear and rational approach in the examination of overall environmental effects of SFMMs, which provides valuable insights that can be used by decision-makers and policy makers to improve the EIA practice and evaluation of projects in the Philippines. PMID:24157409

  7. The utility of geometrical and chemical restraint information extracted from predicted ligand binding sites in protein structure refinement

    PubMed Central

    Brylinski, Michal; Lee, Seung Yup; Zhou, Hongyi

    2010-01-01

    Exhaustive exploration of molecular interactions at the level of complete proteomes requires efficient and reliable computational approaches to protein function inference. Ligand docking and ranking techniques show considerable promise in their ability to quantify the interactions between proteins and small molecules. Despite the advances in the development of docking approaches and scoring functions, the genome-wide application of many ligand docking/screening algorithms is limited by the quality of the binding sites in theoretical receptor models constructed by protein structure prediction. In this study, we describe a new template-based method for the local refinement of ligand-binding regions in protein models using remotely related templates identified by threading. We designed a Support Vector Regression (SVR) model that selects correct binding site geometries in a large ensemble of multiple receptor conformations. The SVR model employs several scoring functions that impose geometrical restraints on the C? positions, account for the specific chemical environment within a binding site and optimize the interactions with putative ligands. The SVR score is well correlated with the RMSD from the native structure; in 47% (70%) of the cases, the Pearsons correlation coefficient is >0.5 (>0.3). When applied to weakly homologous models, the average heavy atom, local RMSD from the native structure of the top-ranked (best of top five) binding site geometries is 3.1 (2.9 ) for roughly half of the targets; this represents a 0.1 (0.3) average improvement over the original predicted structure. Focusing on the subset of strongly conserved residues, the average heavy atom RMSD is 2.6 (2.3 ). Furthermore, we estimate the upper bound of template-based binding site refinement using only weakly related proteins to be ~2.6 RMSD. This value also corresponds to the plasticity of the ligand-binding regions in distant homologues. The Binding Site Refinement (BSR) approach is available to the scientific community as a web server that can be accessed at http://cssb.biology.gatech.edu/bsr/. PMID:20850544

  8. Edge geometry superconducting tunnel junctions utilizing an NbN/MgO/NbN thin film structure

    NASA Technical Reports Server (NTRS)

    Hunt, Brian D. (Inventor); Leduc, Henry G. (Inventor)

    1989-01-01

    An edge defined geometry is used to produce very small area tunnel junctions in a structure with niobium nitride superconducting electrodes and a magnesium oxide tunnel barrier. The incorporation of an MgO tunnel barrier with two NbN electrodes results in improved current-voltage characteristics, and may lead to better junction noise characteristics. The NbN electrodes are preferably sputter-deposited, with the first NbN electrode deposited on an insulating substrate maintained at about 250 to 500 C for improved quality of the electrode.

  9. Edge geometry superconducting tunnel junctions utilizing an NbN/MgO/NbN thin film structure

    NASA Technical Reports Server (NTRS)

    Hunt, Brian D. (Inventor); Leduc, Henry G. (Inventor)

    1992-01-01

    An edge defined geometry is used to produce very small area tunnel junctions in a structure with niobium nitride superconducting electrodes and a magnesium oxide tunnel barrier. The incorporation of an MgO tunnel barrier with two NbN electrodes results in improved current-voltage characteristics, and may lead to better junction noise characteristics. The NbN electrodes are preferably sputter-deposited, with the first NbN electrode deposited on an insulating substrate maintained at about 250 C to 500 C for improved quality of the electrode.

  10. Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.

    PubMed

    Shah, Manish B; Liu, Jingbao; Huo, Lu; Zhang, Qinghai; Dearing, M Denise; Wilderman, P Ross; Szklarz, Grazyna D; Stout, C David; Halpert, James R

    2016-04-01

    Crystal structures of CYP2B35 and CYP2B37 from the desert woodrat were solved in complex with 4-(4-chlorophenyl)imidazole (4-CPI). The closed conformation of CYP2B35 contained two molecules of 4-CPI within the active site, whereas the CYP2B37 structure demonstrated an open conformation with three 4-CPI molecules, one within the active site and the other two in the substrate access channel. To probe structure-function relationships of CYP2B35, CYP2B37, and the related CYP2B36, we tested the O-dealkylation of three series of related substrates-namely, 7-alkoxycoumarins, 7-alkoxy-4-(trifluoromethyl)coumarins, and 7-alkoxy-4-methylcoumarins-with a C1-C7 side chain. CYP2B35 showed the highest catalytic efficiency (kcat/KM) with 7-heptoxycoumarin as a substrate, followed by 7-hexoxycoumarin. In contrast, CYP2B37 showed the highest catalytic efficiency with 7-ethoxy-4-(trifluoromethyl)coumarin (7-EFC), followed by 7-methoxy-4-(trifluoromethyl)coumarin (7-MFC). CYP2B35 had no dealkylation activity with 7-MFC or 7-EFC. Furthermore, the new CYP2B-4-CPI-bound structures were used as templates for docking the 7-substituted coumarin derivatives, which revealed orientations consistent with the functional studies. In addition, the observation of multiple -Cl and -NH-π interactions of 4-CPI with the aromatic side chains in the CYP2B35 and CYP2B37 structures provides insight into the influence of such functional groups on CYP2B ligand binding affinity and specificity. To conclude, structural, computational, and functional analysis revealed striking differences between the active sites of CYP2B35 and CYP2B37 that will aid in the elucidation of new structure-activity relationships. PMID:26826176

  11. Motives for marijuana use among heavy-using high school students: An analysis of structure and utility of the Comprehensive Marijuana Motives Questionnaire.

    PubMed

    Blevins, Claire E; Banes, Kelsey E; Stephens, Robert S; Walker, Denise D; Roffman, Roger A

    2016-06-01

    Motives for marijuana use are important predictors of problematic outcomes associated with marijuana use. Most measures, to date, were developed by adapting alcohol motives measures. However, the Comprehensive Marijuana Motives Questionnaire (CMMQ) was created using a bottom-up approach to evaluate twelve distinct motives for use. The CMMQ was developed and validated in a normative college population. As such, no known study has evaluated the factor structure and utility of the CMMQ in a heavy-using, high school student population. The current study utilized a sample of 252 heavy marijuana-using high school students recruited for a combination motivational enhancement/cognitive behavioral intervention. Results from baseline measures indicated that the factor structure of the CMMQ was maintained in this population. Results from multiple regression analyses revealed distinct relationships with measures of negative consequences of use, including indices of marijuana use, marijuana-related problems, self-efficacy, and internalizing and externalizing symptoms. In particular, the Coping motive was associated with several negative outcomes, which is consistent with previous marijuana and alcohol motives literature. Results suggest that the CMMQ may be useful in assessing marijuana motives among heavy marijuana-using adolescents. PMID:26878304

  12. Utility diversification

    SciTech Connect

    Kahn, A.E.

    1982-01-01

    A review of the available evidence of the effect of diversification on a utility's financial attractiveness suggests that diversified gas companies have higher earnings, better credit ratings, and more marketable securities than do the less diversified utilities. Regulatory commissions must, however, always be alert to ways in which a company's unregulated activities might adversely affect consumers of the regulated service. Once assured that the service customers are adequately protected, the commission should neither review the specific ventures of unregulated subsidiaries nor become involved in regulating their security issuances or dividend payments. In general, utility diversification should be subject only to managerial discretion and the discipline of the market.

  13. Utility diversification

    SciTech Connect

    Kahn, A.E.

    1983-01-01

    A review of the available evidence of the effect of diversification on a utility's financial attractiveness suggests that diversified gas companies have higher earnings, better credit ratings, and more marketable securities than do the less diversified utilities. Regulatory commissions must, however, always be alert to ways in which a company's unregulated activities might adversely affect recipients of the regulated service. Once assured that the service customers are adequately protected, the commission should neither review the specific ventures of unregulated subsidiaries nor become involved in regulating their security issuances or dividend payments. In general, utility diversification should be subject only to managerial discretion and the discipline of the market.

  14. Crystal structures of the DNA-binding domain of Escherichia coli proline utilization A flavoprotein and analysis of the role of Lys9 in DNA recognition

    PubMed Central

    Larson, John D.; Jenkins, Jermaine L.; Schuermann, Jonathan P.; Zhou, Yuzhen; Becker, Donald F.; Tanner, John J.

    2006-01-01

    PutA (proline utilization A) from Escherichia coli is a 1320-amino-acid residue protein that is both a bifunctional proline catabolic enzyme and an autogenous transcriptional repressor. Here, we report the first crystal structure of a PutA DNA-binding domain along with functional analysis of a mutant PutA defective in DNA binding. Crystals were grown using a polypeptide corresponding to residues 152 of E. coli PutA (PutA52). The 2.1 resolution structure of PutA52 mutant Lys9Met was determined using Se-Met MAD phasing, and the structure of native PutA52 was solved at 1.9 resolution using molecular replacement. Residues 346 form a ribbonhelixhelix (RHH) substructure, thus establishing PutA as the largest protein to contain an RHH domain. The PutA RHH domain forms the intertwined dimer with tightly packed hydrophobic core that is characteristic of the RHH family. The structures were used to examine the three-dimensional context of residues conserved in PutA RHH domains. Homology modeling suggests that Lys9 and Thr5 contact DNA bases through the major groove, while Arg15, Thr28, and His30 may interact with the phosphate backbone. Lys9 is shown to be essential for specific recognition of put control DNA using gel shift analysis of the Lys9Met mutant of full-length PutA. Lys9 is disordered in the PutA52 structure, which implies an induced-fit binding mechanism in which the side chain of Lys9 becomes ordered through interaction with DNA. These results provide new insights into the structural basis of DNA recognition by PutA and reveal three-dimensional structural details of the PutA dimer interface. PMID:17001030

  15. Types and factor structure of barriers to utilization of health services among aging South Asians in Calgary, Canada.

    PubMed

    Lai, Daniel W L; Surood, Shireen

    2010-06-01

    Elderly people from ethnic minority groups often experience different barriers in accessing health services. Studies have typically focused on combined groups of elderly immigrants or on large ethno-cultural minorities such as the Chinese in Canada, or African-Americans and Hispanics in the U.S. This study aimed to examine the types and factor structure of barriers to using health services experienced by aging South Asian immigrants in Calgary, Alberta, Canada. A telephone survey was used to collect data from a random sample of South Asian immigrants aged 55 years and older. Principal component analysis revealed four major types of barriers: cultural incompatibility, personal attitudes, administrative problems in delivery, and circumstantial challenges. PMID:20416125

  16. Technical decision making with higher order structure data: utilization of differential scanning calorimetry to elucidate critical protein structural changes resulting from oxidation.

    PubMed

    Arthur, Kelly K; Dinh, Nikita; Gabrielson, John P

    2015-04-01

    Differential scanning calorimetry (DSC) is a useful tool for monitoring thermal stability of the molecular conformation of proteins. Here, we present an example of the sensitivity of DSC to changes in stability arising from a common chemical degradation pathway, oxidation. This Note is part of a series of industry case studies demonstrating the application of higher order structure data for technical decision making. For this study, six protein products from three structural classes were evaluated at multiple levels of oxidation. For each protein, the melting temperature (Tm ) decreased linearly as a function of oxidation; however, differences in the rate of change in Tm , as well as differences in domain Tm stability were observed across and within structural classes. For one protein, analysis of the impact of oxidation on protein function was also performed. For this protein, DSC was shown to be a leading indicator of decreased antigen binding suggesting a subtle conformation change may be underway that can be detected using DSC prior to any observable impact on product potency. Detectable changes in oxidized methionine by mass spectrometry (MS) occurred at oxidation levels below those with a detectable conformational or functional impact. Therefore, by using MS, DSC, and relative potency methods in concert, the intricate relationship between a primary structural modification, changes in conformational stability, and functional impact can be elucidated. PMID:25561411

  17. Enzymology and Structure of the GH13_31 Glucan 1,6-α-Glucosidase That Confers Isomaltooligosaccharide Utilization in the Probiotic Lactobacillus acidophilus NCFM

    PubMed Central

    Møller, Marie S.; Fredslund, Folmer; Majumder, Avishek; Nakai, Hiroyuki; Poulsen, Jens-Christian N.; Lo Leggio, Leila; Svensson, Birte

    2012-01-01

    Isomaltooligosaccharides (IMO) have been suggested as promising prebiotics that stimulate the growth of probiotic bacteria. Genomes of probiotic lactobacilli from the acidophilus group, as represented by Lactobacillus acidophilus NCFM, encode α-1,6 glucosidases of the family GH13_31 (glycoside hydrolase family 13 subfamily 31) that confer degradation of IMO. These genes reside frequently within maltooligosaccharide utilization operons, which include an ATP-binding cassette transporter and α-glucan active enzymes, e.g., maltogenic amylases and maltose phosphorylases, and they also occur separated from any carbohydrate transport or catabolism genes on the genomes of some acidophilus complex members, as in L. acidophilus NCFM. Besides the isolated locus encoding a GH13_31 enzyme, the ABC transporter and another GH13 in the maltooligosaccharide operon were induced in response to IMO or maltotetraose, as determined by reverse transcription-PCR (RT-PCR) transcriptional analysis, suggesting coregulation of α-1,6- and α-1,4-glucooligosaccharide utilization loci in L. acidophilus NCFM. The L. acidophilus NCFM GH13_31 (LaGH13_31) was produced recombinantly and shown to be a glucan 1,6-α-glucosidase active on IMO and dextran and product-inhibited by glucose. The catalytic efficiency of LaGH13_31 on dextran and the dextran/panose (trisaccharide) efficiency ratio were the highest reported for this class of enzymes, suggesting higher affinity at distal substrate binding sites. The crystal structure of LaGH13_31 was determined to a resolution of 2.05 Å and revealed additional substrate contacts at the +2 subsite in LaGH13_31 compared to the GH13_31 from Streptococcus mutans (SmGH13_31), providing a possible structural rationale to the relatively high affinity for dextran. A comprehensive phylogenetic and activity motif analysis mapped IMO utilization enzymes from gut microbiota to rationalize preferential utilization of IMO by gut residents. PMID:22685275

  18. Exploring positron characteristics utilizing two new positron-electron correlation schemes based on multiple electronic structure calculation methods

    NASA Astrophysics Data System (ADS)

    Zhang, Wen-Shuai; Gu, Bing-Chuan; Han, Xiao-Xi; Liu, Jian-Dang; Ye, Bang-Jiao

    2015-10-01

    We make a gradient correction to a new local density approximation form of positron-electron correlation. The positron lifetimes and affinities are then probed by using these two approximation forms based on three electronic-structure calculation methods, including the full-potential linearized augmented plane wave (FLAPW) plus local orbitals approach, the atomic superposition (ATSUP) approach, and the projector augmented wave (PAW) approach. The differences between calculated lifetimes using the FLAPW and ATSUP methods are clearly interpreted in the view of positron and electron transfers. We further find that a well-implemented PAW method can give near-perfect agreement on both the positron lifetimes and affinities with the FLAPW method, and the competitiveness of the ATSUP method against the FLAPW/PAW method is reduced within the best calculations. By comparing with the experimental data, the new introduced gradient corrected correlation form is proved to be competitive for positron lifetime and affinity calculations. Project supported by the National Natural Science Foundation of China (Grant Nos. 11175171 and 11105139).

  19. Analytical studies of a parabolic line concentrator utilizing an aluminum honeycomb support structure and a thin glass reflector laminate

    SciTech Connect

    Koteras, J.R.

    1981-03-01

    Results (stresses, displacements, and equivalent slope errors) are presented from finite element analyses made to evaluate a design for a parabolic trough solar concentrator. The concentrator consists of a reflector laminate (made of thin glass bonded to sheet metal backing) which is mechanically formed and bonded to a stiff parabolic support (made of aluminum honeycomb bonded to steel skins) with a 2 meter (6.6 foot) aperture. Analyses were first made to determine a length for the concentrator such that it would meet certain performance and survivability criteria under wind and gravity loadings. These studies were made with a model for the concentrator only. The concentrator model was then combined with a model for a support mechanism, and this combined structure was studied for several wind and gravity loadings. A design characterized by a six meter (twenty foot) long concentrator was found to meet performance criteria and had sufficiently low glass stresses in a 40.23 meter per second ((ninety mile per hour) wind.

  20. Evaluation of a simple carrier molecule to enhance drug penetration of dermal layers by utilizing multivariate methods, structure property correlations, and continuous system modeling.

    PubMed

    Bartzatt, Ronald

    2004-01-01

    Nicotinic acid is shown to be comparable to dihydropyridine in its capacity to facilitate penetration of an attached antibacterial drug through dermal layers. Antibacterial drugs examined with nicotinic acid or dihydropyridine carriers were beta-lactam antibiotics: methicillin, oxacillin, benzylpenicillin, penicillin F, penicillin dihydro F, propicillin, carbenicillin, penicillin K, penicillin X, and ampicillin. An oxymethyl (-O-CH2-) group is inserted as the linker between the antibiotic and the carrier group. Structure Property Correlations and multivariate methods such as regression analysis, cluster analysis, principal component analysis, discriminate analysis, self-organizing tree algorithm, and factor analysis clearly showed that nicotinic acid performs as an effective carrier drug and is comparable to dihydropyridine. The skin penetration constant Kp was calculated for all 10 antibiotics having either dihydropyridine or nicotinic acid as carrier, and was found to have a mean of 5.13E-05 cm/hour and 1.83E-05 cm/hour, respectively. The standard deviation for each group showed the numerical values overlap as did the 90% confidence interval for each group. A hierarchical tree organization of skin shows the overlapped dermal layers as they exist in normal skin and for the model utilized in this work. A Deming-Regression analysis also shows the nicotinic acid and dihydropyridine structures to have similar and correlated water solubility. Plotting Kp of the dihydropyridine structures as independent variable versus Kp of the nicotinic acid structures show good correlation (Pearson correlation r = 0.6606) and no significant departure from linearity. Connected box plots showed the majority of Kp values for each group of modified antibiotics to exist in a tight cluster. Polar graph of the Log Kow values showed the two groups of modified antibiotics to be correlated and numerically adjacent in trend. ChemSketch property calculations and modeling demonstrates the affects of structural oxygens, nitrogens, carbonyl groups, amide groups, and aromatic rings that are important in understanding the pervasiveness through dermal layers. Continuous model analysis by acslXtreme is utilized and demonstrates three models of the dispersion of drugs through dermal layers based on diffusivity constant (D), Log Kp from Log Kow and formula weight, and Kp as a function of time. PMID:15789972

  1. COMPARISON OF SILICA IMMOBILIZED POLY-L-CYSTEINE AND 8-HYDROXYQUINOLINE FOR TRACE METAL CHELATION AND PRECONCENTRATION. (R826694C651)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  2. The novel mitochondrial iron chelator 5-((methylamino)methyl)-8-hydroxyquinoline protects against mitochondrial-induced oxidative damage and neuronal death.

    PubMed

    Mena, Natalia P; García-Beltrán, Olimpo; Lourido, Fernanda; Urrutia, Pamela J; Mena, Raúl; Castro-Castillo, Vicente; Cassels, Bruce K; Núñez, Marco T

    2015-08-01

    Abundant evidence indicates that iron accumulation, oxidative damage and mitochondrial dysfunction are common features of Huntington's disease, Parkinson's disease, Friedreich's ataxia and a group of disorders known as Neurodegeneration with Brain Iron Accumulation. In this study, we evaluated the effectiveness of two novel 8-OH-quinoline-based iron chelators, Q1 and Q4, to decrease mitochondrial iron accumulation and oxidative damage in cellular and animal models of PD. We found that at sub-micromolar concentrations, Q1 selectively decreased the mitochondrial iron pool and was extremely effective in protecting against rotenone-induced oxidative damage and death. Q4, in turn, preferentially chelated the cytoplasmic iron pool and presented a decreased capacity to protect against rotenone-induced oxidative damage and death. Oral administration of Q1 to mice protected substantia nigra pars compacta neurons against oxidative damage and MPTP-induced death. Taken together, our results support the concept that oral administration of Q1 is a promising therapeutic strategy for the treatment of NBIA. PMID:26051278

  3. The role of MgF2 buffer layer in tris-(8-hydroxyquinoline)aluminium-based organic light-emitting devices with Mg:Ag cathode

    NASA Astrophysics Data System (ADS)

    Chen, B. J.; Sun, X. W.

    2005-08-01

    The device characteristics of organic light-emitting devices based on tris-(8-hydroxyqunoline) aluminium with a thin layer of MgF2 inserted at the indium-tin-oxide (ITO) and organic interface or the organic and Mg:Ag cathode interface are investigated. A 1.0 nm MgF2 thin layer can enhance electron injection when it is inserted only between organic electron transporting layer and Mg:Ag alloy cathode, but can block hole injection when it is inserted only between the ITO anode and organic hole transporting layer. By inserting MgF2 at both sides on the ITO anode and under the Mg:Ag cathode, the current efficiency of the device is improved by 74%, and power efficiency is also improved by 18% at a current injection of 20 mA cm-2, compared to the standard device without MgF2 buffer layer. This is due to the increased electron and decreased hole injection, which results in more balanced electron and hole injection, and more efficient exciton formation. The increased electron injection can be well understood by the tunnelling effect model.

  4. A cost-effective structure of a centralized-light-source WDM-PON utilizing inverse-duobinary-RZ downstream and DPSK upstream

    NASA Astrophysics Data System (ADS)

    Chen, Long-Quan; Qiao, Yao-Jun; Ji, Yue-Feng

    2013-05-01

    In this paper, we propose a new structure of a centralized-light-source wavelength division multiplexed passive optical network (WDM-PON) utilizing inverse-duobinary-return-to-zero (inverse-duobinary-RZ) downstream and DPSK upstream. It reuses downstream light for the upstream modulation, which retrenches lasers assembled at each optical network unit (ONU), and ultimately cuts down the cost of ONUs a great deal. Meanwhile, a 50-km-reach WDM-PON experiment with 10-Gb/s inverse-duobinary-RZ downstream and 6-Gb/s DPSK upstream is demonstrated here. It is revealed to be a novel cost-effective alternative for the next generation access network.

  5. High power single-lateral-mode operation of InAs quantum dot based ridge type laser diodes by utilizing a double bend waveguide structure

    NASA Astrophysics Data System (ADS)

    Kim, Kyoung Chan; Han, Il Ki; Lee, Jung Il; Kim, Tae Geun

    2010-06-01

    We report on the high-power, single-lateral-mode operation of InAs quantum dot (QD) based ridge type laser diodes (LDs) by utilizing a double bend (DB) waveguide structure. The LDs were designed so that only fundamental modes propagate and higher optical modes are suppressed through the bent regions. DB waveguide LDs allow the use of wide ridge widths for fundamental mode operations, which helps to increase their output power via the increase in their net gain. We measured continuous wave single-lateral-mode output power of up to 310 mW from InAs QD DB waveguide LDs manufactured with 10-?m-wide stripes without facet coating.

  6. Small-angle X-ray Scattering Studies of the Oligomeric State and Quaternary Structure of the Trifunctional Proline Utilization A (PutA) Flavoprotein from Escherichia coli*

    PubMed Central

    Singh, Ranjan K.; Larson, John D.; Zhu, Weidong; Rambo, Robert P.; Hura, Greg L.; Becker, Donald F.; Tanner, John J.

    2011-01-01

    The trifunctional flavoprotein proline utilization A (PutA) links metabolism and gene regulation in Gram-negative bacteria by catalyzing the two-step oxidation of proline to glutamate and repressing transcription of the proline utilization regulon. Small-angle x-ray scattering (SAXS) and domain deletion analysis were used to obtain solution structural information for the 1320-residue PutA from Escherichia coli. Shape reconstructions show that PutA is a symmetric V-shaped dimer having dimensions of 205 85 55 ?. The particle consists of two large lobes connected by a 30-? diameter cylinder. Domain deletion analysis shows that the N-terminal DNA-binding domain mediates dimerization. Rigid body modeling was performed using the crystal structure of the DNA-binding domain and a hybrid x-ray/homology model of residues 871113. The calculations suggest that the DNA-binding domain is located in the connecting cylinder, whereas residues 871113, which contain the two catalytic active sites, reside in the large lobes. The SAXS data and amino acid sequence analysis suggest that the ?1-pyrroline-5-carboxylate dehydrogenase domains lack the conventional oligomerization flap, which is unprecedented for the aldehyde dehydrogenase superfamily. The data also provide insight into the function of the 200-residue C-terminal domain. It is proposed that this domain serves as a lid that covers the internal substrate channeling cavity, thus preventing escape of the catalytic intermediate into the bulk medium. Finally, the SAXS model is consistent with a cloaking mechanism of gene regulation whereby interaction of PutA with the membrane hides the DNA-binding surface from the put regulon thereby activating transcription. PMID:22013066

  7. BIOMASS UTILIZATION

    EPA Science Inventory

    The biomass utilization task consists of the evaluation of a biomass conversion technology including research and development initiatives. The project is expected to provide information on co-control of pollutants, as well as, to prove the feasibility of biomass conversion techn...

  8. Structure of a SusD Homologue, BT1043, Involved in Mucin O-Glycan Utilization in a Prominent Human Gut Symbiont

    SciTech Connect

    Koropatkin, Nicole; Martens, Eric C.; Gordon, Jeffrey I.; Smith, Thomas J.

    2009-05-21

    Mammalian distal gut bacteria have an expanded capacity to utilize glycans. In the absence of dietary sources, some species rely on host-derived mucosal glycans. The ability of Bacteroides thetaiotaomicron, a prominent human gut symbiont, to forage host glycans contributes to both its ability to persist within an individual host and its ability to be transmitted naturally to new hosts at birth. The molecular basis of host glycan recognition by this species is still unknown but likely occurs through an expanded suite of outermembrane glycan-binding proteins that are the primary interface between B. thetaiotaomicron and its environment. Presented here is the atomic structure of the B. thetaiotaomicron protein BT1043, an outer membrane lipoprotein involved in host glycan metabolism. Despite a lack of detectable amino acid sequence similarity, BT1043 is a structural homologue of the B. thetaiotaomicron starch-binding protein SusD. Both structures are dominated by tetratrico peptide repeats that may facilitate association with outer membrane {beta}-barrel transporters required for glycan uptake. The structure of BT1043 complexed with N-acetyllactosamine reveals that recognition is mediated via hydrogen bonding interactions with the reducing end of {beta}-N-acetylglucosamine, suggesting a role in binding glycans liberated from the mucin polypeptide. This is in contrast to CBM 32 family members that target the terminal nonreducing galactose residue of mucin glycans. The highly articulated glycan-binding pocket of BT1043 suggests that binding of ligands to BT1043 relies more upon interactions with the composite sugar residues than upon overall ligand conformation as previously observed for SusD. The diversity in amino acid sequence level likely reflects early divergence from a common ancestor, while the unique and conserved {alpha}-helical fold the SusD family suggests a similar function in glycan uptake.

  9. NASA technology utilization house

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Following systems and features, which are predicted to save approximately $20,000 in utility costs over twenty year period, are incorporated into single-level, contemporarily designed, energy efficient residential structure: solar heating and cooling; energy efficient appliances; water recycling; security, smoke, and tornado detectors; and flat conductor electrical wiring.

  10. Structure of the Proline Utilization A Proline Dehydrogenase Domain Inactivated by N-propargylglycine Provides Insight into Conformational Changes Induced by Substrate Binding and Flavin Reduction,

    PubMed Central

    Srivastava, Dhiraj; Zhu, Weidong; Johnson, William H.; Whitman, Christian P.; Becker, Donald F.; Tanner, John J.

    2013-01-01

    Proline utilization A (PutA) from Escherichia coli is a flavoprotein that has mutually exclusive roles as a transcriptional repressor of the put regulon and a membrane-associated enzyme that catalyzes the oxidation of proline to glutamate. Previous studies have shown that the binding of proline in the proline dehydrogenase (PRODH) active site and subsequent reduction of the FAD trigger global conformational changes that enhance PutA-membrane affinity. These events cause PutA to switch from its repressor to enzymatic role, but the mechanism by which this signal is propagated from the active site to the distal membrane-binding domain is largely unknown. Here, it is shown that N-propargylglycine irreversibly inactivates PutA by covalently linking the flavin N(5) atom to the ?-amino of Lys329. Furthermore, inactivation locks PutA into a conformation that may mimic the proline reduced, membrane-associated form. The 2.15 resolution structure of the inactivated PRODH domain suggests that the initial events involved in broadcasting the reduced flavin state to the distal membrane binding domain include major reorganization of the flavin ribityl chain, severe (35 degree) butterfly bending of the isoalloxazine ring, and disruption of an electrostatic network involving the flavin N(5), Arg431, and Asp370. The structure also provides information about conformational changes associated with substrate binding. This analysis suggests that the active site is incompletely assembled in the absence of the substrate, and the binding of proline draws together conserved residues in helix 8 and the ?1-?l loop to complete the active site. PMID:19994913

  11. [The effects on upper first molars by the face-bow construction. Consideration of utilizing the strain gauge method and the computer method of structural analysis].

    PubMed

    Nakamura, R

    1989-04-01

    The present study was undertaken for the purpose of detecting the influence on upper first molars by the dynamic behavior originated in face-bow construction. Tests were made at occipital pull and cervical pull face-bows utilizing strain gauge method and the computer method of structural analysis. As for the occipital pull face-bow, a short outer-bow 35 mm frontward of a tube was bent 30 degrees upward and be pulled in that direction. As for the cervical pull face-bow, a medium outer-bow flash to tube, parallel to the inner-bow was pulled from 20 degrees downward. These two types of face-bows were divided into 4 types, those with loops at the back end (WL) and to those without loops (NL). In the strain gauge method, the force and moment to tubes was measured and compared with the values obtained from theoretical analysis. And in the structural analysis, the data of deflection was compared with each other. Those results indicated that 1. face-bow shows a different force to the molars and a different phase of deflection, according to the difference of it's force concentrative section. 2. the larger the deflection, the larger the deviation of forces on molars from theoretical values. 3. the way of setting loops against the direction of pull alters the phase of deflection of face-bow and the force on molars. 4. existance of loops at inner-bow affects as follows: (1) Reduction of moment of each type of face-bow. (2) Reduction of vertical force at occipital pull face-bow and it's increase at cervical pull face-bow. (3) Resistance for deflection of face-bows in the case of tractive force for closing loops. PMID:2632655

  12. Xylose utilization in recombinant Zymomonas

    DOEpatents

    Kahsay, Robel Y; Qi, Min; Tao, Luan; Viitanen, Paul V; Yang, Jianjun

    2013-01-07

    Zymomonas expressing xylose isomerase from A. missouriensis was found to have improved xylose utilization, growth, and ethanol production when grown in media containing xylose. Xylose isomerases related to that of A. missouriensis were identified structurally through molecular phylogenetic and Profile Hidden Markov Model analyses, providing xylose isomerases that may be used to improve xylose utilization.

  13. Development, cross-species/genera transferability of novel EST-SSR markers and their utility in revealing population structure and genetic diversity in sugarcane.

    PubMed

    Singh, Ram K; Jena, Satya N; Khan, Suhail; Yadav, Sonia; Banarjee, Nandita; Raghuvanshi, Saurabh; Bhardwaj, Vasudha; Dattamajumder, Sanjay K; Kapur, Raman; Solomon, Sushil; Swapna, M; Srivastava, Sangeeta; Tyagi, Akhilesh K

    2013-07-25

    Sugarcane (Saccharum spp. hybrid) with complex polyploid genome requires a large number of informative DNA markers for various applications in genetics and breeding. Despite the great advances in genomic technology, it is observed in several crop species, especially in sugarcane, the availability of molecular tools such as microsatellite markers are limited. Now-a-days EST-SSR markers are preferred to genomic SSR (gSSR) as they represent only the functional part of the genome, which can be easily associated with desired trait. The present study was taken up with a new set of 351 EST-SSRs developed from the 4085 non redundant EST sequences of two Indian sugarcane cultivars. Among these EST-SSRs, TNR containing motifs were predominant with a frequency of 51.6%. Thirty percent EST-SSRs showed homology with annotated protein. A high frequency of SSRs was found in the 5'UTR and in the ORF (about 27%) and a low frequency was observed in the 3'UTR (about 8%). Two hundred twenty-seven EST-SSRs were evaluated, in sugarcane, allied genera of sugarcane and cereals, and 134 of these have revealed polymorphism with a range of PIC value 0.12 to 0.99. The cross transferability rate ranged from 87.0% to 93.4% in Saccharum complex, 80.0% to 87.0% in allied genera, and 76.0% to 80.0% in cereals. Cloning and sequencing of EST-SSR size variant amplicons revealed that the variation in the number of repeat-units was the main source of EST-SSR fragment polymorphism. When 124 sugarcane accessions were analyzed for population structure using model-based approach, seven genetically distinct groups or admixtures thereof were observed in sugarcane. Results of principal coordinate analysis or UPGMA to evaluate genetic relationships delineated also the 124 accessions into seven groups. Thus, a high level of polymorphism adequate genetic diversity and population structure assayed with the EST-SSR markers not only suggested their utility in various applications in genetics and genomics in sugarcane but also enriched the microsatellite marker resources in sugarcane. PMID:23587912

  14. Structural and functional investigation into acetyl-coenzyme A synthase and methyltransferase from human pathogen Clostridium difficile.

    PubMed

    Zhu, Xiaofei; Li, Tiejun; Gu, Xiang; Zhang, Sixue; Liu, Yi; Wang, Yu; Tan, Xiangshi

    2013-05-01

    Methyltransferase (MeTrCd) and acetyl-coenzyme A synthase (ACSCd) are two key enzymes in the acetyl-coenzyme A synthesis pathway of the human pathogen Clostridium difficile. The pathway is absent in humans and is essential for the survival of the pathogen. MeTrCd and ACSCd were cloned, expressed in E. coli, and characterized for the first time. Structural and functional investigations of the two enzymes were performed using homology structure modeling, fluorescence spectroscopy, and steady state/pre-steady state kinetics. The conformational change and methyl transfer activity of MeTrCd were shown to be pH dependent. The kinetic studies of MeTrCd at the optimal pH 5.1 yield the parameters kcat (2.63 s(-1)), Km (17.8 μM) and kcat/Km (0.15 μM(-1) s(-1)). The active site metal cluster (A-cluster) of ACSCd, [Fe4S4][NipNid], was characterized using metal analysis, structural modeling, and UV/Vis spectra of the characteristic features of [Fe4S4] cubane. Nip, as a labile metal, can be removed by treatment with chelators, resulting in the loss of ACS activity. Three bidentate chelators (1,10-phenanthroline, 8-hydroxyquinoline, and 2,2-dipyridyl) exhibited excellent inhibition effects on ACSCd methyl group transfer and acetyl-coenzyme A synthesis activity. These inhibitory effects were further examined using antibacterial activity assays against Clostridium difficile. These results provide a new strategy to find new potential antibiotics for the treatment of CDI. PMID:23599026

  15. Estimation of phytotoxic aluminum in soil solution using three spectrophotometric methods

    SciTech Connect

    Wright, R.J.; Wright, S.F.

    1987-09-01

    In the current investigation three spectrophotometric techniques -8-hydroxyquinoline, aluminon, and ferron- were compared for their ability to estimate phytotoxic Al in soil solution. Soil solution Al reacting with 8-hydroxyquinoline in 15 s, ferron in 30 s, and aluminon in 30 min were related to root and shoot growth of subterranean clover (Trifolium subterraneum L. cv. Mt. Barket) and switchgrass (Panicum virgatum L. cv. Cave-in-Rock) in limed and unlimed treatments of 10 acidic subsoil horizons. Across all 10 soils the amount of Al reacting with 8-hydroxyquinoline was generally the lowest, and that reacting with ferron the highest, although overlap among methods did occur. Manganese interference in several of the soil solutions limited the utility of the ferron method. The amounts of Al reacting with 8-hydroxyquinoline and aluminon were significantly related (P < 0.05) to root and shoot growth limitations exhibited by subterranean clover and switch-grass. Activities of Al/sup 3 +/ (a/sub Al/sup 3 +//) calculated from the GEOCHEM program using the Al reacting with 8-hydroxyquinoline and aluminon as the Al inputs were generally the best predictors of root and shoot growth.

  16. Utilities' cost of capital

    SciTech Connect

    Morin, R.

    1984-01-01

    Using intuitive explanations and simple diagrams and applications, the author explains the evolution, meaning, and practical significance of modern cost of capital theory. The book is directed at anyone professionally involved in cost of capital, particularly public utility cost of capital, through their involvement in the regulatory process or by providing counsel and services to regulatory commissions and regulated utilities. Part One provides the conceptual and institutional background; Part Two, the cost of equity capital, including discussions of discounted cash flow techniques, the Arbitrage Pricing Model, and techniques based on Market-to-Book ratios; Part Three, the broader questions of composite cost of capital and capital structure. 164 references, 40 figures, 40 tables.

  17. Self-Instructional Module on Time Utilization. D-1 Revising Existing Structures, Document No. 10g, Revised. Independent Study Training Material for Professional Supervisory Competencies.

    ERIC Educational Resources Information Center

    Giesecke, Carol; And Others

    This self-instructional learning packet is one part of a competency-guided program for instructional supervisor preparation developed by the Special Education Supervisor Training (SEST) project. This packet deals with the study and practice of time utilization as it relates to the supervisor; users of the packet have the opportunity to review and

  18. Resource recovery utility

    SciTech Connect

    Jones, R.L.

    1987-02-17

    This patent describes a resource recovery utility comprising: (i) a landfill; (ii) a continuous wall surrounding the perimeter of the landfill; (iii) a containment structure extending completely over the landfill and affixed to the continuous wall; (iv) means for introducing refuse into the landfill; (v) means for compacting the refuse; (vi) means for removing and recovering methane generated by anaerobic bacterial digestion of organic materials contained in the refuse; and (vii) means for removing at least a portion of the compacted refuse from the landfill.

  19. Development and validation of queries using structured query language (SQL) to determine the utilization of comparison imaging in radiology reports stored on PACS.

    PubMed

    Lakhani, Paras; Menschik, Elliot D; Goldszal, Alberto F; Murray, Joseph P; Weiner, Mark G; Langlotz, Curtis P

    2006-03-01

    The purpose of this research was to develop queries that quantify the utilization of comparison imaging in free-text radiology reports. The queries searched for common phrases that indicate whether comparison imaging was utilized, not available, or not mentioned. The queries were iteratively refined and tested on random samples of 100 reports with human review as a reference standard until the precision and recall of the queries did not improve significantly between iterations. Then, query accuracy was assessed on a new random sample of 200 reports. Overall accuracy of the queries was 95.6%. The queries were then applied to a database of 1.8 million reports. Comparisons were made to prior images in 38.69% of the reports (693,955/1,793,754), were unavailable in 18.79% (337,028/1,793,754), and were not mentioned in 42.52% (762,771/1,793,754). The results show that queries of text reports can achieve greater than 95% accuracy in determining the utilization of prior images. PMID:16132483

  20. Structural aspects of adducts of N-phthaloylglycine and its derivatives

    NASA Astrophysics Data System (ADS)

    Barooah, Nilotpal; Sarma, Rupam J.; Batsanov, Andrei S.; Baruah, Jubaraj B.

    2006-06-01

    N-phthaloylglycine forms 2:1 adduct with 1,3-dihydroxybenzene and 1:2 adduct with 2-aminopyrimidine. Whereas N-phthaloylglycine form salts with 2,6-diaminopyridine and with 8-hydroxyquinoline. The 1:1 adduct of N, N'-bis(glycinyl)pyromellitic diimide with dimethylsulphoxide, 2-aminopyrimidine and 4,4'-dihydroxybiphenyl are prepared and characterised. The reaction of N, N'-bis(glycinyl)pyromellitic diimide with 2,6-diaminopyridine gives corresponding salt.

  1. The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy

    PubMed Central

    Venkata, Chandrasekhar; Forster, Mark J.; Howe, Peter W. A.; Steinbeck, Christoph

    2014-01-01

    NMR spectroscopy is the most popular technique used for structure elucidation of small organic molecules in solution, but incorrect structures are regularly reported. One-bond proton-carbon J-couplings provide additional information about chemical structure because they are determined by different features of molecular structure than are proton and carbon chemical shifts. However, these couplings are not routinely used to validate proposed structures because few software tools exist to predict them. This study assesses the accuracy of Density Functional Theory for predicting them using 396 published experimental observations from a diverse range of small organic molecules. With the B3LYP functional and the TZVP basis set, Density Functional Theory calculations using the open-source software package NWChem can predict one-bond CH J-couplings with good accuracy for most classes of small organic molecule. The root-mean-square deviation after correction is 1.5 Hz for most sp3 CH pairs and 1.9 Hz for sp2 pairs; larger errors are observed for sp3 pairs with multiple electronegative substituents and for sp pairs. These results suggest that prediction of one-bond CH J-couplings by Density Functional Theory is sufficiently accurate for structure validation. This will be of particular use in strained ring systems and heterocycles which have characteristic couplings and which pose challenges for structure elucidation. PMID:25365289

  2. Hualapai Tribal Utility Development Project

    SciTech Connect

    Hualapai Tribal Nation

    2008-05-25

    The first phase of the Hualapai Tribal Utility Development Project (Project) studied the feasibility of establishing a tribally operated utility to provide electric service to tribal customers at Grand Canyon West (see objective 1 below). The project was successful in completing the analysis of the energy production from the solar power systems at Grand Canyon West and developing a financial model, based on rates to be charged to Grand Canyon West customers connected to the solar systems, that would provide sufficient revenue for a Tribal Utility Authority to operate and maintain those systems. The objective to establish a central power grid over which the TUA would have authority and responsibility had to be modified because the construction schedule of GCW facilities, specifically the new air terminal, did not match up with the construction schedule for the solar power system. Therefore, two distributed systems were constructed instead of one central system with a high voltage distribution network. The Hualapai Tribal Council has not taken the action necessary to establish the Tribal Utility Authority that could be responsible for the electric service at GCW. The creation of a Tribal Utility Authority (TUA) was the subject of the second objective of the project. The second phase of the project examined the feasibility and strategy for establishing a tribal utility to serve the remainder of the Hualapai Reservation and the feasibility of including wind energy from a tribal wind generator in the energy resource portfolio of the tribal utility (see objective 2 below). It is currently unknown when the Tribal Council will consider the implementation of the results of the study. Objective 1 - Develop the basic organizational structure and operational strategy for a tribally controlled utility to operate at the Tribe’s tourism enterprise district, Grand Canyon West. Coordinate the development of the Tribal Utility structure with the development of the Grand Canyon West Power Project construction of the power infrastructure at Grand Canyon West. Develop the maintenance and operations capacity necessary to support utility operations. Develop rates for customers on the Grand Canyon West “mini-grid” sufficient for the tribal utility to be self-sustaining. Establish an implementation strategy for tribal utility service at Grand Canyon West Objective 2 - Develop a strategy for tribal utility takeover of electric service on the Reservation. Perform a cost analysis of Reservation electrical service. Develop an implementation strategy for tribal takeover of Reservation electrical service. Examine options and costs associated with integration of the Tribe’s wind resources.

  3. Materials and structure synergistic with in-space materials utilization. [as means of reducing costs of space missions, colonization, and settlements

    NASA Technical Reports Server (NTRS)

    Ramohalli, Kumar; Shadman, Farhang; Sridhar, K. R.

    1992-01-01

    The significant advances made recently toward actual hardware realizations of various concepts for the application of in-space materials utilization (ISMU) are demonstrated. The overall plan for taking innovative concepts through technical feasibility, small-scale tests, scale-up, computer modeling, and larger-scale execution is outlined. Two specific fields of endeavor are surveyed: one has direct applications to construction on the moon, while the other has more basic implications, in addition to the practical aspects of lunar colonies. Several fundamental scientific advances made in the characterization of the physical and chemical processes that need to be elucidated for any intelligent application of the ISMU concepts in future space missions are described. A rigorous quantitative technique for the unambiguous evaluation of various components and component technology that form any space (or terrestrial mission) is also described.

  4. Model-based Utility Functions

    NASA Astrophysics Data System (ADS)

    Hibbard, Bill

    2012-05-01

    Orseau and Ring, as well as Dewey, have recently described problems, including self-delusion, with the behavior of agents using various definitions of utility functions. An agent's utility function is defined in terms of the agent's history of interactions with its environment. This paper argues, via two examples, that the behavior problems can be avoided by formulating the utility function in two steps: 1) inferring a model of the environment from interactions, and 2) computing utility as a function of the environment model. Basing a utility function on a model that the agent must learn implies that the utility function must initially be expressed in terms of specifications to be matched to structures in the learned model. These specifications constitute prior assumptions about the environment so this approach will not work with arbitrary environments. But the approach should work for agents designed by humans to act in the physical world. The paper also addresses the issue of self-modifying agents and shows that if provided with the possibility to modify their utility functions agents will not choose to do so, under some usual assumptions.

  5. Time Functions as Utilities

    NASA Astrophysics Data System (ADS)

    Minguzzi, E.

    2010-09-01

    Every time function on spacetime gives a (continuous) total preordering of the spacetime events which respects the notion of causal precedence. The problem of the existence of a (semi-)time function on spacetime and the problem of recovering the causal structure starting from the set of time functions are studied. It is pointed out that these problems have an analog in the field of microeconomics known as utility theory. In a chronological spacetime the semi-time functions correspond to the utilities for the chronological relation, while in a K-causal (stably causal) spacetime the time functions correspond to the utilities for the K + relation (Seiferts relation). By exploiting this analogy, we are able to import some mathematical results, most notably Pelegs and Levins theorems, to the spacetime framework. As a consequence, we prove that a K-causal (i.e. stably causal) spacetime admits a time function and that the time or temporal functions can be used to recover the K + (or Seifert) relation which indeed turns out to be the intersection of the time or temporal orderings. This result tells us in which circumstances it is possible to recover the chronological or causal relation starting from the set of time or temporal functions allowed by the spacetime. Moreover, it is proved that a chronological spacetime in which the closure of the causal relation is transitive (for instance a reflective spacetime) admits a semi-time function. Along the way a new proof avoiding smoothing techniques is given that the existence of a time function implies stable causality, and a new short proof of the equivalence between K-causality and stable causality is given which takes advantage of Levins theorem and smoothing techniques.

  6. Investigating Shifts in Diverse Family Structures in Newbery Award and Honor Books Utilizing U.S. Census Data, 1930-2010

    ERIC Educational Resources Information Center

    Despain, Shannon M.; Tunnell, Michael O.; Wilcox, Brad; Morrison, Timothy G.

    2015-01-01

    Newbery Award and Honor books are a representation of children's literature, but family structures portrayed in them have not previously been studied. This prescriptive content analysis considered 87 contemporary realistic fiction Newbery winners and runners-up since the 1930s that portray families in English-speaking, Western settings. The family…

  7. Exploring the Structural Relationships between High School Students' Scientific Epistemological Views and Their Utilization of Information Commitments toward Online Science Information

    ERIC Educational Resources Information Center

    Lin, Chia-Ching; Tsai, Chin-Chung

    2008-01-01

    The main purpose of this study was to examine the structural relationships between scientific epistemological views (SEVs) and information commitments (ICs) of high school students in Taiwan. Data were collected from 486 Taiwanese high school students via two self-reporting instruments: one was the SEV questionnaire, including five scales for

  8. Investigating Shifts in Diverse Family Structures in Newbery Award and Honor Books Utilizing U.S. Census Data, 1930-2010

    ERIC Educational Resources Information Center

    Despain, Shannon M.; Tunnell, Michael O.; Wilcox, Brad; Morrison, Timothy G.

    2015-01-01

    Newbery Award and Honor books are a representation of children's literature, but family structures portrayed in them have not previously been studied. This prescriptive content analysis considered 87 contemporary realistic fiction Newbery winners and runners-up since the 1930s that portray families in English-speaking, Western settings. The family

  9. Exploring the Structural Relationships between High School Students' Scientific Epistemological Views and Their Utilization of Information Commitments toward Online Science Information

    ERIC Educational Resources Information Center

    Lin, Chia-Ching; Tsai, Chin-Chung

    2008-01-01

    The main purpose of this study was to examine the structural relationships between scientific epistemological views (SEVs) and information commitments (ICs) of high school students in Taiwan. Data were collected from 486 Taiwanese high school students via two self-reporting instruments: one was the SEV questionnaire, including five scales for…

  10. Internal transcribed spacer (ITS) evolution in populations of the hyperparasitic European mistletoe pathogen fungus, Sphaeropsis visci (Botryosphaeriaceae): The utility of ITS2 secondary structures.

    PubMed

    Poczai, Péter; Varga, Ildikó; Hyvönen, Jaakko

    2015-03-01

    We investigated patterns of nucleotide polymorphism in the internal transcribed spacer (ITS) region for Sphaeropsis visci, a hyperparasitic fungus that causes the leaf spot disease of the hemiparasite European mistletoe (Viscum album). Samples of S. visci were obtained from Hungary covering all major infected forest areas. For obtaining PCR products we used a fast and efficient direct PCR approach based on a high fidelity DNA polymerase. A total of 140 ITS sequences were subjected to an array of complementary sequence analyses, which included analyses of secondary structure stability, nucleotide polymorphism patterns, GC content, and presence of conserved motifs. Analysed sequences exhibited features of functional rRNAs. Overall, polymorphism was observed within less conserved motifs, such as loops and bulges, or, alternatively, as non-canonical G-U pairs within conserved regions of double stranded helices. The secondary structure of ITS2 provides new opportunities for obtaining further valuable information, which could be used in phylogenetic analyses, or at population level as demonstrated in our study. This is due to additional information provided by secondary structures and their models. The combined score matrix was used with the methods implemented in the programme 4SALE. Besides the pseudoprotein coding method of 4SALE, the molecular morphometric character coding also has potential for gaining further information for phylogenetic analyses based on the geometric features of the sub-structural elements of the ITS2 RNA transcript. PMID:25536165

  11. Utility of Routine Exercise Testing to Detect Rate-Related QRS Widening in Patients Without Structural Heart Disease on Class Ic Antiarrhythmic Agents (Flecainide andPropafenone).

    PubMed

    Vallurupalli, Srikanth; Pothineni, Naga Venkata K; Deshmukh, Abhishek; Paydak, Hakan

    2015-09-01

    Class Ic antiarrhythmic agents are effective in the treatment of various atrial tachyarrhythmias. They are known to cause rate-related QRS widening in the presence of structural heart disease, which can lead to life-threatening arrhythmias. The role of routine exercise electrocardiography in patients without structural heart disease is unknown. All patients initiated on class Ic antiarrhythmic agents and who had exercise electrocardiography performed from June 2009 to June 2013 were included. Symptom-limited treadmill electrocardiography was performed to detect significant QRS widening at peak exercise (defined as an increase of >25% of baseline QRS). Fifty-six patients were included in the study. All patients were screened for structural heart disease before initiation of the medication. Significant QRS widening and atrial tachycardia occurred in a single patient, which terminated with cessation of exercise. This patient had a history of tachycardia-mediated cardiomyopathy with normalization of ejection fraction 3 years before being placed on flecainide. In conclusion, routine exercise testing to detect QRS widening is not warranted in patients with no structural heart disease. PMID:26100588

  12. Electric utility companies and geothermal power

    NASA Technical Reports Server (NTRS)

    Pivirotto, D. S.

    1976-01-01

    The requirements of the electric utility industry as the primary potential market for geothermal energy are analyzed, based on a series of structured interviews with utility companies and financial institution executives. The interviews were designed to determine what information and technologies would be required before utilities would make investment decisions in favor of geothermal energy, the time frame in which the information and technologies would have to be available, and the influence of the governmental politics. The paper describes the geothermal resources, electric utility industry, its structure, the forces influencing utility companies, and their relationship to geothermal energy. A strategy for federal stimulation of utility investment in geothermal energy is suggested. Possibilities are discussed for stimulating utility investment through financial incentives, amelioration of institutional barriers, and technological improvements.

  13. Asteroid exploration and utilization

    NASA Technical Reports Server (NTRS)

    Radovich, Brian M.; Carlson, Alan E.; Date, Medha D.; Duarte, Manny G.; Erian, Neil F.; Gafka, George K.; Kappler, Peter H.; Patano, Scott J.; Perez, Martin; Ponce, Edgar

    1992-01-01

    The Earth is nearing depletion of its natural resources at a time when human beings are rapidly expanding the frontiers of space. The resources possessed by asteroids have enormous potential for aiding and enhancing human space exploration as well as life on Earth. Project STONER (Systematic Transfer of Near Earth Resources) is based on mining an asteroid and transporting raw materials back to Earth. The asteroid explorer/sample return mission is designed in the context of both scenarios and is the first phase of a long range plan for humans to utilize asteroid resources. Project STONER is divided into two parts: asteroid selection and explorer spacecraft design. The spacecraft design team is responsible for the selection and integration of the subsystems: GNC, communications, automation, propulsion, power, structures, thermal systems, scientific instruments, and mechanisms used on the surface to retrieve and store asteroid regolith. The sample return mission scenario consists of eight primary phases that are critical to the mission.

  14. Highly efficient tandem organic light-emitting devices utilizing the connecting structure based on n-doped electron-transport layer/HATCN/hole-transport layer.

    PubMed

    Wu, Yi-Lin; Chen, Chien-Yu; Huang, Yi-Hsiang; Lu, Yin-Jui; Chou, Cheng-Hsu; Wu, Chung-Chih

    2014-08-01

    In this work, we conducted studies of tandem organic light-emitting devices (OLEDs) based on the connecting structure consisting of n-doped electron-transport layer (n-ETL)/1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile (HATCN)/hole-transport layer. We investigated effects of different n-ETL materials and different HATCN thicknesses on characteristics of tandem OLEDs. Results show that the tandem OLEDs with n-BPhen and a 20 nm layer of HATCN in the connecting structure exhibited the best performance. With these, highly efficient and bright green phosphorescent two-emitting-unit tandem OLEDs, with drive voltages significantly lower than twice that of the single-unit benchmark device and current efficiencies higher than twice that of the single-unit benchmark device, were demonstrated. PMID:25090347

  15. I-III-VI.sub.2 based solar cell utilizing the structure CuInGaSe.sub.2 CdZnS/ZnO

    DOEpatents

    Chen, Wen S. (Seattle, WA); Stewart, John M. (Seattle, WA)

    1992-01-07

    A thin film I-III-VI.sub.2 based solar cell having a first layer of copper indium gallium selenide, a second layer of cadmium zinc sulfide, a double layer of zinc oxide, and a metallization structure comprised of a layer of nickel covered by a layer of aluminum. An optional antireflective coating may be placed on said metallization structure. The cadmium zinc sulfide layer is deposited by means of an aqueous solution growth deposition process and may actually consist of two layers: a low zinc content layer and a high zinc content layer. Photovoltaic efficiencies of 12.5% at Air Mass 1.5 illumination conditions and 10.4% under AMO illumination can be achieved.

  16. Secondary Structure Analyses of the Nuclear rRNA Internal Transcribed Spacers and Assessment of Its Phylogenetic Utility across the Brassicaceae (Mustards)

    PubMed Central

    Bird, Kevin A.; Mayfield, Dustin R.; Conant, Gavin; Mummenhoff, Klaus; Koch, Marcus A.; Pires, J. Chris

    2014-01-01

    The internal transcribed spacers of the nuclear ribosomal RNA gene cluster, termed ITS1 and ITS2, are the most frequently used nuclear markers for phylogenetic analyses across many eukaryotic groups including most plant families. The reasons for the popularity of these markers include: 1.) Ease of amplification due to high copy number of the gene clusters, 2.) Available cost-effective methods and highly conserved primers, 3.) Rapidly evolving markers (i.e. variable between closely related species), and 4.) The assumption (and/or treatment) that these sequences are non-functional, neutrally evolving phylogenetic markers. Here, our analyses of ITS1 and ITS2 for 50 species suggest that both sequences are instead under selective constraints to preserve proper secondary structure, likely to maintain complete self-splicing functions, and thus are not neutrally-evolving phylogenetic markers. Our results indicate the majority of sequence sites are co-evolving with other positions to form proper secondary structure, which has implications for phylogenetic inference. We also found that the lowest energy state and total number of possible alternate secondary structures are highly significantly different between ITS regions and random sequences with an identical overall length and Guanine-Cytosine (GC) content. Lastly, we review recent evidence highlighting some additional problematic issues with using these regions as the sole markers for phylogenetic studies, and thus strongly recommend additional markers and cost-effective approaches for future studies to estimate phylogenetic relationships. PMID:24984034

  17. Secondary structure analyses of the nuclear rRNA internal transcribed spacers and assessment of its phylogenetic utility across the Brassicaceae (mustards).

    PubMed

    Edger, Patrick P; Tang, Michelle; Bird, Kevin A; Mayfield, Dustin R; Conant, Gavin; Mummenhoff, Klaus; Koch, Marcus A; Pires, J Chris

    2014-01-01

    The internal transcribed spacers of the nuclear ribosomal RNA gene cluster, termed ITS1 and ITS2, are the most frequently used nuclear markers for phylogenetic analyses across many eukaryotic groups including most plant families. The reasons for the popularity of these markers include: 1.) Ease of amplification due to high copy number of the gene clusters, 2.) Available cost-effective methods and highly conserved primers, 3.) Rapidly evolving markers (i.e. variable between closely related species), and 4.) The assumption (and/or treatment) that these sequences are non-functional, neutrally evolving phylogenetic markers. Here, our analyses of ITS1 and ITS2 for 50 species suggest that both sequences are instead under selective constraints to preserve proper secondary structure, likely to maintain complete self-splicing functions, and thus are not neutrally-evolving phylogenetic markers. Our results indicate the majority of sequence sites are co-evolving with other positions to form proper secondary structure, which has implications for phylogenetic inference. We also found that the lowest energy state and total number of possible alternate secondary structures are highly significantly different between ITS regions and random sequences with an identical overall length and Guanine-Cytosine (GC) content. Lastly, we review recent evidence highlighting some additional problematic issues with using these regions as the sole markers for phylogenetic studies, and thus strongly recommend additional markers and cost-effective approaches for future studies to estimate phylogenetic relationships. PMID:24984034

  18. Utilization of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for structural studies related to biology and disease

    NASA Astrophysics Data System (ADS)

    Costello, Catherine E.; Helin, Jari; Ngoka, Lambert C. M.

    1996-04-01

    Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), because of its high sensitivity and relatively straightforward requirements for sample preparation, is contributing to the solution of structural problems in biology and to the development of therapeutic approaches through increased understanding of pharmacology and enhanced capabilities for quality control of pharmaceuticals. We are using a reflectron TOF- MS for the determination of molecular weights of individual compounds and the components of mixtures that are naturally occurring or are generated through enzymic digests, and employing the post-source decay mode to elucidate structural details. To maximize the sensitivity and information content of the spectra, varied matrices, derivative, and stepwise degradation procedures are being explored. Present studies include investigations of oligosaccharides, neutral glycolipids, gangliosides, glycoproteins, neuropeptides and proteins. Rules for fragmentation are being developed with model compounds and used for the structural elucidation of unknowns. When adequate sample amounts are available, the results are compared with low- and high-energy collision-induced decomposition spectra obtained with tandem MS in order to provide a data base for the correlation of spectral features and guidance in selection of approaches for scarce biological samples. Current projects include biophysical studies of glycoplipids, glycoproteins and oligosaccharides and investigations of the substance P receptor, transthyretin genetic variants and cisplatin-DNA interactions.

  19. Deregulation allows new opportunities for utilities

    SciTech Connect

    Hansen, T.

    1996-10-01

    The changes electric utilities face today are both scary and exciting. In the past several years utilities have faced uncertainties that have caused major upheaval in their structures and business processes. There has been an increase in the number of mergers and acquisitions as utilities position themselves for competition. many utility employees have faced layoffs, resulting form reengineering and downsizing. Similar events and uncertainties were faced by the airline and telecommunications industries during their transformations form monopolistic to competitive environments. Even though these events have been difficult and unpleasant, there is a bright side. Today`s electric utilities have the opportunities to cash in on some innovative new ideas and technologies.

  20. Protein-protein interactions in the β-oxidation part of the phenylacetate utilization pathway: crystal structure of the PaaF-PaaG hydratase-isomerase complex.

    PubMed

    Grishin, Andrey M; Ajamian, Eunice; Zhang, Linhua; Rouiller, Isabelle; Bostina, Mihnea; Cygler, Miroslaw

    2012-11-01

    Microbial anaerobic and so-called hybrid pathways for degradation of aromatic compounds contain β-oxidation-like steps. These reactions convert the product of the opening of the aromatic ring to common metabolites. The hybrid phenylacetate degradation pathway is encoded in Escherichia coli by the paa operon containing genes for 10 enzymes. Previously, we have analyzed protein-protein interactions among the enzymes catalyzing the initial oxidation steps in the paa pathway (Grishin, A. M., Ajamian, E., Tao, L., Zhang, L., Menard, R., and Cygler, M. (2011) J. Biol. Chem. 286, 10735-10743). Here we report characterization of interactions between the remaining enzymes of this pathway and show another stable complex, PaaFG, an enoyl-CoA hydratase and enoyl-Coa isomerase, both belonging to the crotonase superfamily. These steps are biochemically similar to the well studied fatty acid β-oxidation, which can be catalyzed by individual monofunctional enzymes, multifunctional enzymes comprising several domains, or enzymatic complexes such as the bacterial fatty acid β-oxidation complex. We have determined the structure of the PaaFG complex and determined that although individually PaaF and PaaG are similar to enzymes from the fatty acid β-oxidation pathway, the structure of the complex is dissimilar from bacterial fatty acid β-oxidation complexes. The PaaFG complex has a four-layered structure composed of homotrimeric discs of PaaF and PaaG. The active sites of PaaF and PaaG are adapted to accept the intermediary components of the Paa pathway, different from those of the fatty acid β-oxidation. The association of PaaF and PaaG into a stable complex might serve to speed up the steps of the pathway following the conversion of phenylacetyl-CoA to a toxic and unstable epoxide-CoA by PaaABCE monooxygenase. PMID:22961985

  1. Lipophilic M(?,?'-OC5H11)8phthalocyanines (M = H2 and Ni(II)): synthesis, electronic structure, and their utility for highly efficient carbonyl reductions.

    PubMed

    Jiang, Yu; Li, Minzhi; Liang, Xu; Mack, John; Wildervanck, Martijn; Nyokong, Tebello; Qin, Mingfeng; Zhu, Weihua

    2015-11-01

    A lipophilic and electron-rich phthalocyanine (?,?'-n-OC5H11)8-H2Pc and its nickel(ii) complex (?,?'-n-OC5H11)8-Ni(ii)Pc have been synthesized and characterized. Detailed analyses of the electronic structure were carried out by spectroscopy, electrochemistry, spectroelectrochemistry, and TD-DFT calculations. A series of experiments demonstrate that the (?,?'-n-OC5H11)8-Ni(ii)Pc complex can be used as a catalyst for highly efficient carbonyl reductions. PMID:26425817

  2. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    DOE PAGESBeta

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; et al

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improvemore » the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.« less

  3. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    SciTech Connect

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; Yang, Xiao -Qing

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improve the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.

  4. ERTS-1 imagery use in reconnaissance prospecting: Evaluation of commercial utility of ERTS-1 imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F. (Principal Investigator); Thomas, G. L.; Kinsman, F. E.

    1973-01-01

    The author has identified the following significant results. Five areas in North America (North Slope-Alaska, Superior Province-Canada, Williston Basin-Montana, Colorado, and New Mexico-West Texas) are being studied for discernibility of geological evidence on ERTS-1 imagery. Evidence mapped is compared with known mineral/hydrocarbon accumulations to determine the value of the imagery in commercial exploration programs. Evaluation has proceeded in the New Mexico-Texas area, and to date, results have been better than expected. Clearly discernible structural lineaments in this area are evident on the photographs. Comparison of this evidence with known major mining localities in New Mexico indicates a clear pattern of coincidence between the lineaments and mining localities. In West Texas, lineament and geomorphological evidence obtainable from the photographs define the petroleum-productive Central Basin Platform. Based on evaluation of results in the New Mexico-West Texas area and on cursory results in the other four areas of North America, it is concluded that ERTS-1 imagery will be extremely valuable in defining the regional and local structure in any commercial exploration program.

  5. ERTS-1 imagery use in reconnaissance prospecting: Evaluation of commercial utility of ERTS-1 imagery in structural reconnaissance for minerals and petroleum

    NASA Technical Reports Server (NTRS)

    Saunders, D. F.; Thomas, G. E. (Principal Investigator); Kinsman, F. E.; Beatty, D. F.

    1973-01-01

    The author has identified the following significant results. This study was performed to investigate applications of ERTS-1 imagery in commercial reconnaissance for mineral and hydrocarbon resources. ERTS-1 imagery collected over five areas in North America (Montana; Colorado; New Mexico-West Texas; Superior Province, Canada; and North Slope, Alaska) has been analyzed for data content including linears, lineaments, and curvilinear anomalies. Locations of these features were mapped and compared with known locations of mineral and hydrocarbon accumulations. Results were analyzed in the context of a simple-shear, block-coupling model. Data analyses have resulted in detection of new lineaments, some of which may be continental in extent, detection of many curvilinear patterns not generally seen on aerial photos, strong evidence of continental regmatic fracture patterns, and realization that geological features can be explained in terms of a simple-shear, block-coupling model. The conculsions are that ERTS-1 imagery is of great value in photogeologic/geomorphic interpretations of regional features, and the simple-shear, block-coupling model provides a means of relating data from ERTS imagery to structures that have controlled emplacement of ore deposits and hydrocarbon accumulations, thus providing a basis for a new approach for reconnaissance for mineral, uranium, gas, and oil deposits and structures.

  6. Structural and Functional Characterization of an Orphan ATP-Binding Cassette ATPase Involved in Manganese Utilization and Tolerance in Leptospira spp.

    PubMed Central

    Saul, Frederick; Bellalou, Jacques; Miras, Isabelle; Weber, Patrick; Bondet, Vincent; Murray, Gerald L.; Adler, Ben; Ristow, Paula; Louvel, Hélène; Haouz, Ahmed

    2013-01-01

    Pathogenic Leptospira species are the etiological agents of the widespread zoonotic disease leptospirosis. Most organisms, including Leptospira, require divalent cations for proper growth, but because of their high reactivity, these metals are toxic at high concentrations. Therefore, bacteria have acquired strategies to maintain metal homeostasis, such as metal import and efflux. By screening Leptospira biflexa transposon mutants for their ability to use Mn2+, we have identified a gene encoding a putative orphan ATP-binding cassette (ABC) ATPase of unknown function. Inactivation of this gene in both L. biflexa and L. interrogans strains led to mutants unable to grow in medium in which iron was replaced by Mn2+, suggesting an involvement of this ABC ATPase in divalent cation uptake. A mutation in this ATPase-coding gene increased susceptibility to Mn2+ toxicity. Recombinant ABC ATPase of the pathogen L. interrogans exhibited Mg2+-dependent ATPase activity involving a P-loop motif. The structure of this ATPase was solved from a crystal containing two monomers in the asymmetric unit. Each monomer adopted a canonical two-subdomain organization of the ABC ATPase fold with an α/β subdomain containing the Walker motifs and an α subdomain containing the ABC signature motif (LSSGE). The two monomers were arranged in a head-to-tail orientation, forming a V-shaped particle with all the conserved ABC motifs at the dimer interface, similar to functional ABC ATPases. These results provide the first structural and functional characterization of a leptospiral ABC ATPase. PMID:24123817

  7. Anion-directed self-assembly of two half-sandwich ruthenium-based metallamacrocycles as catalysts for water oxidation.

    PubMed

    Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Yuan, Guozan; Wei, Xianwen

    2015-01-01

    The binuclear [?(6) -(cymene)Ru(L)]2 (OTf)2 (TfO(-) =trifluoromethanesulfonate) and tetranuclear [?(6) -(cymene)Ru(L)]4 (NO3 )4 metallacycles were prepared by treating the pyridyl-substituted 8-hydroxyquinoline ligand (E)-2-[2-(pyridin-3-yl)vinyl]quinolin-8-ol (HL) with [(p-cymene)Ru(?-Cl)Cl]2 in the presence of AgOTf or AgNO3 . The molecular structures of these complexes were confirmed by single-crystal X-ray diffraction, which revealed that both complexes have macrocycle frameworks induced by the TfO(-) and NO3 (-) counteranions, respectively. The electrochemical properties of the two metallacycles were investigated by cyclic voltammetry, which showed that they have great potential as catalysts for water oxidation. Good efficiency was obtained by utilizing the nitrate complex as a water oxidation catalyst in the presence of a Ce(IV) salt as an oxidant at high pH values. PMID:25303729

  8. Effective host materials for blue/white organic light-emitting diodes by utilizing the twisted conjugation structure in 10-phenyl-9,10-dihydroacridine block.

    PubMed

    Liu, Xiang-Yang; Liang, Feng; Cui, Lin-Song; Yuan, Xiao-Dong; Jiang, Zuo-Quan; Liao, Liang-Sheng

    2015-06-01

    Two new 10-phenyl-9,10-dihydroacridine derivatives attached by dibenzothiophene (DBT) and dibenzofuran (DBF) were synthesized. The influence of the substituents of these materials was studied by theoretical calculations (DFT calculation) and experimental measurements. Owing to the twisted N-phenyl ring, both molecules possess sufficiently high triplet energies and are suitable as hosts for phosphorescent organic light-emitting diodes. To evaluate the electroluminescent (EL) performance of these materials, FIrpic-based blue PHOLEDs and two-color white PHOLEDs (FIrpic and PO-01 as the dopants) were fabricated using the common device structures. High external quantum efficiencies (EQE) of 21.1?% and 20.9?% for FIrpic-based blue PHOLEDs were achieved by FPhAc and TPhAc, respectively. The white device based on the host FPhAc achieved a higher performance, with a maximum EQE of 24.7?% than the device with TPhAc as host material. PMID:25871535

  9. MISR IDL Utilities

    Atmospheric Science Data Center

    2013-03-20

    ... information. A tar file package is available for download which is opened on Unix systems with the tar utility or on Windows systems with a utility such as WinZip, or the files can be downloaded ...

  10. The structure of state utility commissions and protection of the captive ratepayer: Is there a connection? Occasional paper {number_sign}23

    SciTech Connect

    Zearfoss, N.N.

    1998-06-01

    While there is a considerable body of literature on regulatory decision making, the dominant theories have emphasized the influence of external factors on commissioners, which largely result in capture. Underlying these theories is the assumption that resources translate into influence. The theory proposed in this research is that while resources are necessary in order to influence commission decisions, they are not sufficient. Instead, their effects are mediated by two conditions: one, the structural characteristics of each state commission, which enable it to acquire and analyze information and two, the attributes of the type of consumer safeguards, e.g. a rate freeze or quality-of-service standards with attached financial penalties, which commissions could have adopted. The guiding research hypothesis is that the greater the ability of the commission to acquire and analyze information, the more likely it is to enact more stringent measures to protect the captive ratepayer. The major implications of this research are two. (1) This research suggests that commissions react not just to political pressure and economic incentives, but also to information. Indeed, this research asserts that information is a significant determinant in the decision making process. (2) Where the general public has neither the knowledge nor the understanding to take a position with regard to an issue, a regulatory commission with greater resources and more professional personnel is more likely to be its champion than is a commission with fewer resources and less professional personnel.

  11. Legal considerations in utility stranded cost securitizations

    SciTech Connect

    Rogers, D.B.; Jameson, J.M.; Yoong, D.K.L.

    1997-10-01

    The effects that state and federal law provisions, and accounting, tax and bankruptcy considerations have on securitization of utility stranded costs are complex and demand careful attention from government, utilities and their advisors. Although the legal structuring of a utility securitization is more involved than that of most other securitizations, its documentation is not particularly more complicated. To facilitate the movement towards a competitive electricity generation marketplace, many investor-owned utilities, regulators and state lawmakers are considering securitizations as a means of recovering stranded costs. Securitizations generally, and securitizations of stranded costs in particular, are subject to many legal requirements, all of which need to be satisfied in order to structure and consummate a successful transaction. Utility executives, regulators and lawmakers need to be cognizant of the legal requirements that will strongly influence the structure and success of any stranded cost legislation or securitization they propose. As of this writing, no U.S. stranded cost securitizations have been completed.

  12. Anticonvulsant effects of structurally diverse GABAB positive allosteric modulators in the DBA/2J audiogenic seizure test: Comparison to baclofen and utility as a pharmacodynamic screening model.

    PubMed

    Brown, Jordan W; Moeller, Achim; Schmidt, Martin; Turner, Sean C; Nimmrich, Volker; Ma, Junli; Rueter, Lynne E; van der Kam, Elizabeth; Zhang, Min

    2016-02-01

    The GABAB receptor has been indicated as a promising target for multiple CNS-related disorders. Baclofen, a prototypical orthosteric agonist, is used clinically for the treatment of spastic movement disorders, but is associated with unwanted side-effects, such as sedation and motor impairment. Positive allosteric modulators (PAM), which bind to a topographically-distinct site apart from the orthosteric binding pocket, may provide an improved side-effect profile while maintaining baclofen-like efficacy. GABA, the major inhibitory neurotransmitter in the CNS, plays an important role in the etiology and treatment of seizure disorders. Baclofen is known to produce anticonvulsant effects in the DBA/2J mouse audiogenic seizure test (AGS), suggesting it may be a suitable assay for assessing pharmacodynamic effects. Little is known about the effects of GABAB PAMs, however. The studies presented here sought to investigate the AGS test as a pharmacodynamic (PD) screening model for GABAB PAMs by comparing the profile of structurally diverse PAMs to baclofen. GS39783, rac-BHFF, CMPPE, A-1295120 (N-(3-(4-(4-chloro-3-fluorobenzyl)-6-methoxy-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide), and A-1474713 (N-(3-(4-(4-chlorobenzyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide) all produced robust, dose-dependent anticonvulsant effects; a similar profile was observed with baclofen. Pre-treatment with the GABAB antagonist SCH50911 completely blocked the anticonvulsant effects of baclofen and CMPPE in the AGS test, indicating such effects are likely mediated by the GABAB receptor. In addition to the standard anticonvulsant endpoint of the AGS test, video tracking software was employed to assess potential drug-induced motor side-effects during the acclimation period of the test. This analysis was sensitive to detecting drug-induced changes in total distance traveled, which was used to establish a therapeutic index (TI=hypoactivity/anticonvulsant effects). Calculated TIs for A-1295120, CMPPE, rac-BHFF, GS39783, and A-1474713 were 5.31x, 5.00x, 4.74x, 3.41x, and 1.83x, respectively, whereas baclofen was <1. The results presented here suggest the DBA/2J mouse AGS test is a potentially useful screening model for detecting PD effects of GABAB PAMs and can provide an initial read-out on target-related motor side-effects. Furthermore, an improved TI was observed for PAMs compared to baclofen, indicating the PAM approach may be a viable therapeutic alternative to baclofen. PMID:26471422

  13. Structuralism.

    ERIC Educational Resources Information Center

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always…

  14. Structuralism.

    ERIC Educational Resources Information Center

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always

  15. Cogeneration and utility diversification

    SciTech Connect

    Duggan, M.M.

    1985-08-01

    Niagara Mohawk saw cogeneration and utility diversification as an opportunity to break away from the traditional model of a public utility and avoid the fate of the railroads. The author reviews how HYDRA-CO Enterprises evaluated the risks and opportunities of diversification and the steps it took to diversify, which included a joint venture cogeneration project. The company sees a future with ever expanding opportunities for utility subsidiaries for those with courage and imagination.

  16. Electric utility credit trends

    SciTech Connect

    Burkhardt, D.A.; Whitfield, H.

    1990-10-11

    This article looks at the changes in credit ratings for electric utilities in the 1980's and some of the reasons for these changes. The ratings examined are Moody's and Standard and Poor's. Most of the downward ratings occurred as a result of increased debt and problems with nuclear power. General Public Utilities and Allegheny Power Systems were identified as two of the utilities whose ratings improved.

  17. Utility Solar Generation Valuation Methods

    SciTech Connect

    Hansen, Thomas N.; Dion, Phillip J.

    2009-06-30

    Tucson Electric Power (TEP) developed, tested and verified the results of a new and appropriate method for accurately evaluating the capacity credit of time variant solar generating sources and reviewed new methods to appropriately and fairly evaluate the value of solar generation to electric utilities. The project also reviewed general integrated approaches for adequately compensating owners of solar generation for their benefits to utilities. However, given the limited funding support and time duration of this project combined with the significant differences between utilities regarding rate structures, solar resource availability and coincidence of solar generation with peak load periods, it is well beyond the scope of this project to develop specific rate, rebate, and interconnection approaches to capture utility benefits for all possible utilities. The project developed computer software based evaluation method models to compare solar generation production data measured in very short term time increments called Sample Intervals over a typical utility Dispatch Cycle during an Evaluation Period against utility system load data. Ten second resolution generation production data from the SGSSS and actual one minute resolution TEP system load data for 2006 and 2007, along with data from the Pennington Street Garage 60 kW DC capacity solar unit installed in downtown Tucson will be applied to the model for testing and verification of the evaluation method. Data was provided by other utilities, but critical time periods of data were missing making results derived from that data inaccurate. The algorithms are based on previous analysis and review of specific 2005 and 2006 SGSSS production data. The model was built, tested and verified by in house TEP personnel. For this phase of the project, TEP communicated with, shared solar production data with and collaborated on the development of solar generation valuation tools with other utilities, including Arizona Public Service, Salt River Project, Xcel and Nevada Power Company as well as the Arizona electric cooperatives. In the second phase of the project, three years of 10 second power output data of the SGSSS was used to evaluate the effectiveness of frequency domain analysis, normal statistical distribution analysis and finally maximum/minimum differential output analysis to test the applicability of these mathematic methods in accurately modeling the output variations produced by clouds passing over the SGSSS array.

  18. Electromagnetic machines which utilize microgeometry field structures

    NASA Astrophysics Data System (ADS)

    Jacobsen, S. C.; Wood, John E.

    1990-04-01

    The Microfield Project at the Center for Engineering Design was originally motivated by a quest to understand how to improve the performance of actuators in demanding applications such as robots and artificial limbs. It was determined that by making the internal interactive elements of the system (actuator) numerous, closely packed, and very small (on the order of one to ten microns), sizeable force outputs and power densities could be produced, with improvements in impedance characteristics over conventional actuators. A by-product of these studies was the generation of a number of very interesting spin-off applications for microelectromechanical systems in general, including mechanical sensors, optical devices, actuators, and chemical sensors. Thus, for the Microfield Project, multiple exploratory investigations, both experimental and analytical, were undertaken aimed at: (1) understanding important issues necessary for the systematic design, analysis, fabrication, and testing of micro electro-mechanical sensors and actuators, and (2) establishing the feasibility of various concepts.

  19. Detect the sensitivity and response of protein molecular structure of whole canola seed (yellow and brown) to different heat processing methods and relation to protein utilization and availability using ATR-FT/IR molecular spectroscopy with chemometrics.

    PubMed

    Samadi; Theodoridou, Katerina; Yu, Peiqiang

    2013-03-15

    The objectives of this experiment were to detect the sensitivity and response of protein molecular structure of whole canola seed to different heat processing [moisture (autoclaving) vs. dry (roasting) heating] and quantify heat-induced protein molecular structure changes in relation to protein utilization and availability. In this study, whole canola seeds were autoclaved (moisture heating) and dry (roasting) heated at 120 C for 1h, respectively. The parameters assessed included changes in (1) chemical composition profile, (2) CNCPS protein subfractions (PA, PB1, PB2, PB3, PC), (3) intestinal absorbed true protein supply, (4) energy values, and (5) protein molecular structures (amide I, amide II, ratio of amide I to II, ?-helix, ?-sheet, ratio of ?-helix to ?-sheet). The results showed that autoclave heating significantly decreased (P<0.05) but dry heating increased (P<0.05) the ratio of protein ?-helix to ?-sheet (with the ratios of 1.07, 0.95, 1.10 for the control (raw), autoclave heating and dry heating, respectively). The multivariate molecular spectral analyses (PCA, CLA) showed that there were significantly molecular structural differences in the protein amide I and II fingerprint region (ca. 1714-1480 cm(-1)) among the control, autoclave and dry heating. These differences were indicated by the form of separate class (PCA) and group of separate ellipse (CLA) between the treatments. The correlation analysis with spearman method showed that there were significantly and highly positive correlation (P<0.05) between heat-induced protein molecular structure changes in terms of ?-helix to ?-sheet ratios and in situ protein degradation and significantly negative correlation between the protein ?-helix to ?-sheet ratios and intestinal digestibility of undegraded protein. The results indicated that heat-induced changes of protein molecular structure revealed by vibration molecular spectroscopy could be used as a potential predictor to protein degradation and intestinal protein digestion of whole canola seed. Future study is needed to study response and impact of heat processing to each inherent layer of canola seed from outside to inside tissues and between yellow canola and brown canola. PMID:23318774

  20. Tribal water utility management

    SciTech Connect

    Not Available

    1993-03-01

    Contents: primacy program (what is primacy, advantages and disadvantages, treatment as a state, grant applications and funding); safe drinking water act (sampling requirements, coliform standard, public notification, surface water treatment rule impacts, uic and wellhead protection programs, lead/copper rule); water utility management (how is the utility program evaluated, who's responsible, what is the board and tribal council role).

  1. Teuchos Utility Package

    Energy Science and Technology Software Center (ESTSC)

    2004-03-01

    Teuchos is designed to provide portable, object-oriented tools for Trillnos developers and users. This includes templated wrappers to BLAS/LAPACK, a serial dense matrix class, a parameter list, XML parsing utilities, reference counted pointer (smart pointer) utilities, and more. These tools are designed to run on both serial and parallel computers.

  2. Theoretical investigations of the structures and electronic spectra of 8-hydroxylquinoline derivatives

    NASA Astrophysics Data System (ADS)

    Ning, Pan; Ren, Tiegang; Zhang, Yanxin; Zhang, Jinglai

    2013-11-01

    The spectroscopic properties of 8-hydroxyquinoline derivatives are theoretically investigated by means of density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. The target molecules are divided into two groups: group (I): (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (A), together with corresponding potential reaction products of A with acetic acid, i.e., (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (AR1), and (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (AR2); group (II): (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (B), as well as potential reaction products of B with acetic acid, i.e., (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (BR1), and (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (BR2). The geometries are optimized by B3LYP and M06 methods. The results indicate that product molecules tend to be effectively planar compared with reactants. Subsequently, UV absorption spectra are simulated through TD-DFT method with PCM model to further confirm the reasonable products of two reactions. AR2 and BR2 are identified as the target molecules through the experimental spectra for the real products. It is worth noting that the maximum absorption wavelengths of compounds AR2 and BR2 present prominent red shift compared the initial reactants A and B, respectively, which should be ascribed to the enhancive planarity of products that mentioned above and the decreased HOMO-LUMO energy gap. Geometric structures and optical properties for corresponding compounds are discussed in detail.

  3. MODEL FOR NON-EQUILIBRIUM BINDING AND AFFINITY CHROMATOGRAPHY WITH CHARACTERIZATION OF 8-HYDROXYQUINOLINE IMMOBILIZED ON CONTROLLED PORE GLASS USING A FLOW INJECTION SYSTEM WITH A PACKED MICRO-COLUMN. (R826694C651)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  4. PAM stack test utility

    Energy Science and Technology Software Center (ESTSC)

    2007-08-22

    The pamtest utility calls the normal PAM hooks using a service and username supplied on the command line. This allows an administratory to test any one of many configured PAM stacks as any existing user on the machine.

  5. Understanding the Utilities.

    ERIC Educational Resources Information Center

    Matthews, Joseph R.

    1980-01-01

    Briefly describes the origin and development of some major online bibliographic utilities, including the Ohio College Library Center (OCLC), the Research Libraries Information Network (RLIN), the University of Toronto Library Automation Systems (UTLAS), and the Washington Library Network (WLN). (FM)

  6. Starlink Benchmarking Utility

    NASA Astrophysics Data System (ADS)

    Gledhill, T. M.; Clayton, C. A.

    The Starlink Benchmarking Utility provides a set of tools for investigating the performance of computer systems running astronomy data reduction software. This manual is intended for Starlink Site Managers and describes how to install and use the package.

  7. Utility requirements for fusion

    SciTech Connect

    Vondrasek, R.J.

    1982-02-01

    This report describes work done and results obtained during performance of Task 1 of a study of Utility Requirements and Criteria for Fusion Options. The work consisted of developing a list of utility requirements for fusion optics containing definition of the requirements and showing their relative importance to the utility industry. The project team members developed a preliminary list which was refined by discussions and literature searches. The refined list was recast as a questionnaire which was sent to a substantial portion of the utility industry in this country. Forty-three questionnaire recipients responded including thirty-two utilities. A workshop was held to develop a revised requirements list using the survey responses as a major input. The list prepared by the workshop was further refined by a panel consisting of vice presidents of the three project team firms. The results of the study indicate that in addition to considering the cost of energy for a power plant, utilities consider twenty-three other requirements. Four of the requirements were judged to be vital to plant acceptability: Plant Capital Cost, Financial Liability, Plant Safety and Licensability.

  8. An Optimization-Based Framework for the Transformation of Incomplete Biological Knowledge into a Probabilistic Structure and Its Application to the Utilization of Gene/Protein Signaling Pathways in Discrete Phenotype Classification.

    PubMed

    Esfahani, Mohammad Shahrokh; Dougherty, Edward R

    2015-01-01

    Phenotype classification via genomic data is hampered by small sample sizes that negatively impact classifier design. Utilization of prior biological knowledge in conjunction with training data can improve both classifier design and error estimation via the construction of the optimal Bayesian classifier. In the genomic setting, gene/protein signaling pathways provide a key source of biological knowledge. Although these pathways are neither complete, nor regulatory, with no timing associated with them, they are capable of constraining the set of possible models representing the underlying interaction between molecules. The aim of this paper is to provide a framework and the mathematical tools to transform signaling pathways to prior probabilities governing uncertainty classes of feature-label distributions used in classifier design. Structural motifs extracted from the signaling pathways are mapped to a set of constraints on a prior probability on a Multinomial distribution. Being the conjugate prior for the Multinomial distribution, we propose optimization paradigms to estimate the parameters of a Dirichlet distribution in the Bayesian setting. The performance of the proposed methods is tested on two widely studied pathways: mammalian cell cycle and a p53 pathway model. PMID:26671803

  9. A novel bionic design of dental implant for promoting its long-term success using nerve growth factor (NGF): Utilizing nano-springs to construct a stress-cushioning structure inside the implant

    PubMed Central

    He, Hao; Yao, Yang; Wang, Yanying; Wu, Yingying; Yang, Yang; Gong, Ping

    2012-01-01

    Summary The absence of periodontium causes masticatory load in excess of the self-repairing potential of peri-implant bone; peri-implant bone loss caused by occlusal overload is not uncommon in patients and greatly diminishes chances of long-term success. Regenerative treatments may be useful in inducing peri-implant bone regeneration, but are only stopgap solutions to the aftermaths caused by the imperfect biomechanical compatibility of the dental implant. Despite promising success, the tissue-engineered periodontal ligament still needs a period of time to be perfected before being clinically applied. Hence, we propose a novel design of dental implant that utilizes nano-springs to construct a stress-cushioning structure inside the implant. Many studies have shown that NGF, a neurotrophin, is effective for nerve regeneration in both animal and clinical studies. Moreover, NGF has the potential to accelerate bone healing in patients with fracture and fracture nonunion and improve osseointegration of the implant. The key point of the design is to reduce stress concentrated around peri-implant bone by cushioning masticatory forces and distributing them to all the peri-implant bone through nano-springs, and promote osseoperception and osseointegration by NGF-induced nerve regeneration and new bone formation. This design, which transfers the main biomechanical interface of the implant from outside to inside, if proven to be valid, may to some extent compensate for the functions of lost periodontium in stress cushioning and proprioception. PMID:22847209

  10. A novel bionic design of dental implant for promoting its long-term success using nerve growth factor (NGF): utilizing nano-springs to construct a stress-cushioning structure inside the implant.

    PubMed

    He, Hao; Yao, Yang; Wang, Yanying; Wu, Yingying; Yang, Yang; Gong, Ping

    2012-08-01

    The absence of periodontium causes masticatory load in excess of the self-repairing potential of peri-implant bone; peri-implant bone loss caused by occlusal overload is not uncommon in patients and greatly diminishes chances of long-term success. Regenerative treatments may be useful in inducing peri-implant bone regeneration, but are only stopgap solutions to the aftermaths caused by the imperfect biomechanical compatibility of the dental implant. Despite promising success, the tissue-engineered periodontal ligament still needs a period of time to be perfected before being clinically applied. Hence, we propose a novel design of dental implant that utilizes nano-springs to construct a stress-cushioning structure inside the implant. Many studies have shown that NGF, a neurotrophin, is effective for nerve regeneration in both animal and clinical studies. Moreover, NGF has the potential to accelerate bone healing in patients with fracture and fracture nonunion and improve osseointegration of the implant. The key point of the design is to reduce stress concentrated around peri-implant bone by cushioning masticatory forces and distributing them to all the peri-implant bone through nano-springs, and promote osseoperception and osseointegration by NGF-induced nerve regeneration and new bone formation. This design, which transfers the main biomechanical interface of the implant from outside to inside, if proven to be valid, may to some extent compensate for the functions of lost periodontium in stress cushioning and proprioception. PMID:22847209

  11. Utility terrestrial biodiversity issues

    SciTech Connect

    Breece, G.A.; Ward, B.J.

    1996-11-01

    Results from a survey of power utility biologists indicate that terrestrial biodiversity is considered a major issued by only a few utilities; however, a majority believe it may be a future issue. Over half of the respondents indicated that their company is involved in some management for biodiversity, and nearly all feel that it should be a goal for resource management. Only a few utilities are funding biodiversity research, but a majority felt more research was needed. Generally, larger utilities with extensive land holdings had greater opportunities and resources for biodiversity management. Biodiversity will most likely be a concern with transmission rights-of-way construction and maintenance, endangered species issues and general land resource management, including mining reclamation and hydro relicensing commitments. Over half of the companies surveyed have established voluntary partnerships with management groups, and biodiversity is a goal in nearly all the joint projects. Endangered species management and protection, prevention of forest fragmentation, wetland protection, and habitat creation and protection are the most common partnerships involving utility companies. Common management practices and unique approaches are presented, along with details of the survey. 4 refs.

  12. Redeveloping utility plants

    SciTech Connect

    Gottlieb, J.W. )

    1994-01-01

    In 1987, Adirondack Hydro Development Corp., a Glens Falls, NY-based developer of independent hydropower projects, successfully won Niagara Mohawk's bid for proposals to redevelop the Middle Falls project. The benefits Adirondack Hydro offered Niagara Mohawk included savings in revenue requirements for the utility and its ratepayers, savings in avoided cost payments, avoidance of the risk associated with redeveloping the project, an increase in the generation and capacity of the project, and additional revenues for the utility through payments for the lease of the site. In return, Adirondack received a 40-year power purchase contract at competitive prices for any electricity generated by the project and a long-term source of income for the company and its shareholders. The redeveloped Middle Falls project has been generating electricity and providing benefits to Adirondack Hydro, Niagara Mohawk and its ratepayers since 1990. This example demonstrates an alternative for hydropower developers who are finding new project development problematic at best - especially in the United States. Federal regulatory initiatives and new state activism are combining to make greenfield development more difficult. Nevertheless, developers and utilities are exploring market niches for the deployment of new technologies and the opportunities for redevelopment and expanded operation of existing hydroelectric projects. At the same time, the new competitive utility marketplace has caused investor-owned utilities to explore ways to reduce or eliminate operating expenses on their systems in an effort to increase shareholder earnings while decreasing the cost of service. These elements have combined to create opportunities for the redevelopment of utility-owned hydroelectric projects such as was done with the Middle Falls Project.

  13. Utilities in trouble

    SciTech Connect

    Hitch, C.J.

    1982-02-04

    An economist examines the plight of investor-owned electric utilities by posing and responding to four questions. He cites poor stock and bond performances and depressed rates as evidence that there is a financial crisis. He blames rate regulation and not competition from other energy sources for the depression utilities are experiencing. The consequences of US institutional constraints weaken the industry's ability to finance capital investment, but financial health might be restored by decontrolling generation and regulating only the distribution of electric power. The article draws upon remarks made at an Electric Power Research Institute seminar in August, 1981. (DCK)

  14. One utility`s approach to radwaste

    SciTech Connect

    O`Brian, G.

    1995-11-01

    Recently, the Northern States Power Company (NSP) has taken a {open_quotes}very active{close_quotes} role in the High-Level Waste (HLW) issue. This decision was not an easy one for NSP which has traditionally been satisfied with remaining silent politically and active technically. However, all of the excellent technical efforts could go for naught based on a single political decision. In as much as the HLW and Low-Level Waste (LLW) issues are being decided in the political arena, I believe the industry can learn from our experience with the HLW issue. Therefore, I will explain the scenario of events and NSP`s reactions surrounding dry cask storage at NSP`s Prairie Island Nuclear Generating Plant, and how these reactions have helped us deal with the LLW issue. During the Plant Life EXtension (PLEX) project at the Monticello Nuclear Generating Plant, four critical issues were identified as requiring resolution prior to NSP committing additional resources toward the PLEX project. The HLW and LLW issues were among the list. Although the importance of the two issues had been realized prior to 1990, NSP did not make any appreciable changes to address either of these issues until an amendment was made in the 1992 Minnesota legislative session which would have removed the decision to approve the Prairie Island dry cask storage project from the jurisdiction of the Public Utilities Commission (PUC) and shifted it to the state legislature. Several plant employees met at the state capitol throughout the week to lobby against the amendment. Ultimately, the amendment was debated on the Senate floor and failed.

  15. Male Adolescent Contraceptive Utilization.

    ERIC Educational Resources Information Center

    Finkel, Madelon Lubin; Finkel, David J.

    1978-01-01

    The contraceptive utilization of a sample of sexually active, urban, high school males (Black, Hispanic, and White) was examined by anonymous questionnaire. Contraceptive use was haphazard, but White males tended to be more effective contraceptors than the other two groups. Reasons for nonuse were also studied. (Author/SJL)

  16. Utilizing Foundational Perspectives.

    ERIC Educational Resources Information Center

    Educational Foundations, 1991

    1991-01-01

    This theme issue of "Educational Foundations" contains five articles that utilize an array of foundational perspectives that give reader insight into the organization of schools, the viewpoints of children and parents, the ideological and political nature of community organizing, and mathematics instruction in the Soviet Union. In "Cooperative

  17. Administrative Utility Analysis: Appendices.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    Appendixes to a study on administrative utility analysis and vocational education programs for the Area of Vocational and Technical Education (AVTE) in the Puerto Rico Department of Education contain the planning and budgeting system elements, position descriptions, and information on the growth of vocational education in Puerto Rico. The elements…

  18. Classroom Use and Utilization.

    ERIC Educational Resources Information Center

    Fink, Ira

    2002-01-01

    Discusses how classrooms are distributed by size on a campus, how well they are used, and how their use changes with faculty and student needs and desires. Details how to analyze classroom space, use, and utilization, taking into account such factors as scheduling and classroom stations. (EV)

  19. Module utilization committee

    NASA Technical Reports Server (NTRS)

    Volkmer, K.; Praver, G.

    1984-01-01

    Photovoltaic collector modules were declared surplus to the needs of the U.S. Dept. of Energy. The Module Utilization Committee was formed to make appropriate disposition of the surplus modules on a national basis and to act as a broker for requests for these modules originating outside of the National Photovoltaics Program.

  20. Technology utilization program report

    NASA Technical Reports Server (NTRS)

    1974-01-01

    The application of aerospace technology to the solution of public health and industrial problems is reported. Data cover: (1) development of an externally rechargeable cardiac pacemaker, (2) utilization of ferrofluids-colloidal suspensions of ferrite particles - in the efficient separation of nonferrous metals as Ni, Zn, Cu, and Al from shredded automobile scrap, and (3) development of a breathing system for fire fighters.

  1. Module utilization committee

    NASA Astrophysics Data System (ADS)

    Volkmer, K.; Praver, G.

    1984-03-01

    Photovoltaic collector modules were declared surplus to the needs of the U.S. Dept. of Energy. The Module Utilization Committee was formed to make appropriate disposition of the surplus modules on a national basis and to act as a broker for requests for these modules originating outside of the National Photovoltaics Program.

  2. Advanced fossil energy utilization

    SciTech Connect

    Shekhawat, D.; Berry, D.; Spivey, J.; Pennline, H.; Granite, E.

    2010-01-01

    This special issue of Fuel is a selection of papers presented at the symposium Advanced Fossil Energy Utilization co-sponsored by the Fuels and Petrochemicals Division and Research and New Technology Committee in the 2009 American Institute of Chemical Engineers (AIChE) Spring National Meeting Tampa, FL, on April 2630, 2009.

  3. Sucrose-Utilizing Transglucosidases for Biocatalysis

    NASA Astrophysics Data System (ADS)

    Andr, Isabelle; Potocki-Vronse, Gabrielle; Morel, Sandrine; Monsan, Pierre; Remaud-Simon, Magali

    Sucrose-utilizing transglucosidases are valued tools in chemistry to generate glycodiversification. Not only do these enzymes use as substrate an abundant agroresource, sucrose, but they also share a remarkable versatility regarding the acceptor substrate, allowing the structurally-controlled synthesis of diverse glucosylated products. Latest research has demonstrated the potential of enzyme engineering to tailor novel sucrose-utilizing transglucosidases that give access to original carbohydrate-based structures. This chapter gives an overview of the recent achievements in biocatalysis using these enzymes.

  4. Photoelectrochemical Cells Utilizing Tunable Corroles.

    PubMed

    Brennan, Bradley J; Lam, Yick Chong; Kim, Paul M; Zhang, Xing; Brudvig, Gary W

    2015-07-29

    Organic dyes with their wide range of molecular structures and spectroscopic features show great promise for solar energy applications. Corroles, structural analogues to porphyrins, are highly fluorescent molecules with tunable properties. We have synthesized a series of structurally similar corroles chelating gallium and phosphorus, along with a ?-chlorinated phosphorus corrole, and determined their photophysical and electrochemical properties. The electrochemical potentials to oxidize the corroles range from 0.78 V vs NHE for the gallium corrole to 1.42 V for the ?-octachlorinated phosphorus corrole. We are interested in developing photosensitizers for water oxidation on a metal oxide-based photoanode, so the corroles were modified to contain a meso-phenyl-COOH substituent for binding to metal oxide surfaces. The ability of these corrole dyes to act as photosensitizers was assessed by comparing the corroles in a model dye sensitized solar cell design. Transient absorption spectroscopy was utilized to analyze recombination dynamics and determine the kinetics of iodide oxidation. The most efficient photoelectrochemical cell was achieved for the phosphorus corrole P-2 with electrochemical properties and kinetics suitable for both photoinduced electron injection into TiO2 and oxidation of iodide. This structure-function study highlights the wide window for tuning corrole electrochemical potentials while still maintaining desirable photophysical properties, important variables when designing dyes for applications in photoelectrochemical water-oxidation cells. PMID:26135477

  5. Structural properties of Alq3 nanocrystals prepared by physical vapor deposition and facile solution method

    NASA Astrophysics Data System (ADS)

    Xie, Wanfeng; Pang, Zhiyong; Fan, Jihui; Song, Hui; Jiang, Feng; Yuan, Huimin; Li, Jianfei; Ji, Ziwu; Han, Shenghao

    2015-09-01

    Tris(8-hydroxyquinoline) aluminum (Alq3) nanostructures are promising materials for nanooptoelectronic devices and molecular spintronics. In this paper, we report Alq3 nanocrystals prepared by both physical vapor deposition (PVD) and facile solution method. The transmission electron microscopy (TEM) and high resolution scanning electron microscope (SEM) measurements show that the Alq3 nanomaterials prepared by PVD technique are ɛ-Alq3 nanoflowers, while the Alq3 nanostructures prepared by solution method are α-Alq3 nanorods. Our experiments indicate that the α-Alq3 nanomaterials prepared by using solution method are more suitable for the fabrication of molecular spintronic devices than that of PVD method.

  6. Helping Water Utilities Grapple with Climate Change

    NASA Astrophysics Data System (ADS)

    Yates, D.; Gracely, B.; Miller, K.

    2008-12-01

    The Water Research Foundation (WRF), serving the drinking water industry and the National Center for Atmospheric Research (NCAR) are collaborating on an effort to develop and implement locally-relevant, structured processes to help water utilities consider the impacts and adaptation options that climate variability and change might have on their water systems. Adopting a case-study approach, the structured process include 1) a problem definition phase, focused on identifying goals, information needs, utility vulnerabilities and possible adaptation options in the face of climate and hydrologic uncertainty; 2) developing and/or modifying system-specific Integrated Water Resource Management (IWRM) models and conducting sensitivity analysis to identify critical variables; 3) developing probabilistic climate change scenarios focused on exploring uncertainties identified as important in the sensitivity analysis in step 2; and 4) implementing the structured process and examining approaches decision making under uncertainty. Collaborators include seven drinking water utilities and two state agencies: 1) The Inland Empire Utility Agency, CA; 2) The El Dorado Irrigation District, Placerville CA; 2) Portland Water Bureau, Portland OR; 3) Colorado Springs Utilities, Colo Spgs, CO; 4) Cincinnati Water, Cincinnati, OH; 5) Massachusetts Water Resources Authority (MWRA), Boston, MA; 6) Durham Water, Durham, NC; and 7) Palm Beach County Water (PBCW), Palm Beach, FL. The California Department of Water Resources and the Colorado Water Conservation Board were the state agencies that we have collaborated with.

  7. Environmental assessment and utilization CFB ash

    SciTech Connect

    Conn, R.

    1997-12-31

    Landfill disposal has generally been accepted as the most common option for ash management in CFB power plants. However, the cost of ash disposal continues to increase due to a reduction in landfill capacity and more stringent environmental regulations. As a result, beneficial uses of CFB ashes (versus landfilling) are being investigated in order to provide a more cost effective ash management program. The chemical and physical characteristics of CFB by-products will influence both their environmental impact and potential utilization options. Compared to conventional pulverized coal boiler ashes, CFB ashes generally have different chemical properties which may limit their utilization for production of Portland cement. Other diverse utilization options have been identified for CFB residues which include: agricultural applications, structural fill, and waste stabilization. Most of these applications have to meet specifications by following certain test methods. The exact utilization options for CFB by-products will depend primarily on the type of fuel being fired, and to a lesser extent, the type of sorbent utilized for sulfur capture. Based on laboratory investigation of ash characteristics, utilization options were concluded for different Foster Wheeler commercial boilers throughout the US and abroad. Based on the results of this study, it was demonstrated that most CFB ashes could be utilized for one or more of the purposes noted above.

  8. Microbial Cellulose Utilization: Fundamentals and Biotechnology

    PubMed Central

    Lynd, Lee R.; Weimer, Paul J.; van Zyl, Willem H.; Pretorius, Isak S.

    2002-01-01

    Fundamental features of microbial cellulose utilization are examined at successively higher levels of aggregation encompassing the structure and composition of cellulosic biomass, taxonomic diversity, cellulase enzyme systems, molecular biology of cellulase enzymes, physiology of cellulolytic microorganisms, ecological aspects of cellulase-degrading communities, and rate-limiting factors in nature. The methodological basis for studying microbial cellulose utilization is considered relative to quantification of cells and enzymes in the presence of solid substrates as well as apparatus and analysis for cellulose-grown continuous cultures. Quantitative description of cellulose hydrolysis is addressed with respect to adsorption of cellulase enzymes, rates of enzymatic hydrolysis, bioenergetics of microbial cellulose utilization, kinetics of microbial cellulose utilization, and contrasting features compared to soluble substrate kinetics. A biological perspective on processing cellulosic biomass is presented, including features of pretreated substrates and alternative process configurations. Organism development is considered for “consolidated bioprocessing” (CBP), in which the production of cellulolytic enzymes, hydrolysis of biomass, and fermentation of resulting sugars to desired products occur in one step. Two organism development strategies for CBP are examined: (i) improve product yield and tolerance in microorganisms able to utilize cellulose, or (ii) express a heterologous system for cellulose hydrolysis and utilization in microorganisms that exhibit high product yield and tolerance. A concluding discussion identifies unresolved issues pertaining to microbial cellulose utilization, suggests approaches by which such issues might be resolved, and contrasts a microbially oriented cellulose hydrolysis paradigm to the more conventional enzymatically oriented paradigm in both fundamental and applied contexts. PMID:12209002

  9. MTV Utility Library

    Energy Science and Technology Software Center (ESTSC)

    2008-02-29

    The MSV Java Utility Library contains software developed over many years for many sponsors. (This work is not a derivative of CB-EMIS), but rather support to the CB-EMIS software). Projects that have used and contributed to code in this library: CB-EMIS (PROTECT), BWIC, Fort Future, Teva, Integrated Oceans, ENKIMDU, RCW, JEMS, JWACS, EPA watershed, and many others. This library will continue to be used in other non-CB-EMIS related projects. The components include: Spatial components: Multi-coordinatemore » system spatial objects. 2D spatial indexing system, and polygon griding system. Data translation: Allows import and export of file based data to and from object oriented systems. Multi-platform data streams: Allows platform specific data streams to operate on any support platform. Other items include printing, custom GUI components, support for NIMA Raster Product Format, program logging utilities and others.« less

  10. Paraprofessional utilization in optometry.

    PubMed

    Soroka, M

    1975-09-01

    Issues that surround the use of paraprofessionals in optometry are examined. The experiences and findings from paraprofessional programs in other health disciplines are reviewed as they relate to optometry. Paraprofessional utilization is a significant yet neglected alternative that has the potential of relieving the increasing manpower shortage in optometry. This concept is reviewed in terms of its effects on productivity and quality of care. The viability of this concept has been found to be dependent upon the subjective acceptance of paraprofessionals by the health professional as well as the consumer. Patient attitudes and acceptance are largely determined by the professional's acceptance. Values and beliefs held by the optometrist or some other discipline may manifest themselves as significant barriers to increased utilization of paraoptometric personnel. The socialization process must begin during the years of professional education and early years of clinical experience. PMID:1078360

  11. Worldwide high-volume coal ash utilization

    SciTech Connect

    Manz, O.E.

    1996-10-01

    The utilization of coal ash in concrete is the most extensive and widespread throughout the world, as compared to other uses of ash. However, in addition to the use in 1992 of over 39 million tons of coal ash in concrete, there were over 40 billion tons used in structural, land, or embankment fill; almost 7 million tons for pavement base course or subgrade; over 40 million tons for filler for mines, quarries or pits; almost 3 million tons for soil amendment; over 1.8 million tons for lightweight aggregate; and over 7 million tons for aerated blocks. In 1992, China had the largest production of coal ash as well as the largest utilization. Russian and the US had the second and third largest production. Russia, Germany, US, and Poland were next to China in utilization. This paper summarizes recent coal ash production and utilization in the world and presents a country-by-country survey of the high-volume users.

  12. Ethics for electic utilities

    SciTech Connect

    Powers, C.W.; Toffler, B.L. )

    1991-05-15

    This article examines the ethical challenges of remaining honest and fair when the playing field of competition does not appear to be level. Topics discussed include measuring performance, monitoring use of services, public opinion of utility integrity and commitment to service, making ethical concerns and language a part of the management decision process, and communication of moral issues to a place where resolution can occur.

  13. Seasat data utilization project

    NASA Technical Reports Server (NTRS)

    Born, G. H.; Held, D. N.; Lame, D. B.; Lipes, R. G.; Montgomery, D. R.; Rygh, P. J.; Scott, J. F.

    1981-01-01

    During the three months of orbital operations, the satellite returned data from the world's oceans. Dozens of tropical storms, hurricanes and typhoons were observed, and two planned major intensive surface truth experiments were conducted. The utility of the Seasat-A microwave sensors as oceanographic tools was determined. Sensor and geophysical evaluations are discussed, including surface observations, and evaluation summaries of an altimeter, a scatterometer, a scanning multichannel microwave radiometer, a synthetic aperture radar, and a visible and infrared radiometer.

  14. Windpower utilization possibilities

    NASA Astrophysics Data System (ADS)

    Hoetzel, C.

    1982-01-01

    The possibilities of windpower utilization for mechanical pumps, electric generators, mechanical water vortex pumps, and heat pumps are reviewed. Application possibilities can be realized by windpower systems of different size. It must however be determined for which purpose and for which power range they are used. The site and the concomitant wind potential is of utmost importance. Small units in the 10 kW power range are very interesting for autonomous or semiautonomous energy supply.

  15. Evolution of selenium utilization traits

    PubMed Central

    Romero, Héctor; Zhang, Yan; Gladyshev, Vadim N; Salinas, Gustavo

    2005-01-01

    Background The essential trace element selenium is used in a wide variety of biological processes. Selenocysteine (Sec), the 21st amino acid, is co-translationally incorporated into a restricted set of proteins. It is encoded by an UGA codon with the help of tRNASec (SelC), Sec-specific elongation factor (SelB) and a cis-acting mRNA structure (SECIS element). In addition, Sec synthase (SelA) and selenophosphate synthetase (SelD) are involved in the biosynthesis of Sec on the tRNASec. Selenium is also found in the form of 2-selenouridine, a modified base present in the wobble position of certain tRNAs, whose synthesis is catalyzed by YbbB using selenophosphate as a precursor. Results We analyzed completely sequenced genomes for occurrence of the selA, B, C, D and ybbB genes. We found that selB and selC are gene signatures for the Sec-decoding trait. However, selD is also present in organisms that do not utilize Sec, and shows association with either selA, B, C and/or ybbB. Thus, selD defines the overall selenium utilization. A global species map of Sec-decoding and 2-selenouridine synthesis traits is provided based on the presence/absence pattern of selenium-utilization genes. The phylogenies of these genes were inferred and compared to organismal phylogenies, which identified horizontal gene transfer (HGT) events involving both traits. Conclusion These results provide evidence for the ancient origin of these traits, their independent maintenance, and a highly dynamic evolutionary process that can be explained as the result of speciation, differential gene loss and HGT. The latter demonstrated that the loss of these traits is not irreversible as previously thought. PMID:16086848

  16. Double Shell Tank (DST) Utilities Specification

    SciTech Connect

    SUSIENE, W.T.

    2000-04-27

    This specification establishes the performance requirements and provides the references to the requisite codes and standards to he applied during the design of the Double-Shell Tank (DST) Utilities Subsystems that support the first phase of waste feed delivery (WFD). The DST Utilities Subsystems provide electrical power, raw/potable water, and service/instrument air to the equipment and structures used to transfer low-activity waste (LAW) and high-level waste (HLW) to designated DST staging tanks. The DST Utilities Subsystems also support the equipment and structures used to deliver blended LAW and HLW feed from these staging tanks to the River Protection Project (RPP) Privatization Contractor facility where the waste will be immobilized. This specification is intended to be the basis for new projects/installations. This specification is not intended to retroactively affect previously established project design criteria without specific direction by the program.

  17. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 18 Conservation of Power and Water Resources 2 2011-04-01 2011-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  18. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 18 Conservation of Power and Water Resources 2 2014-04-01 2014-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  19. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 18 Conservation of Power and Water Resources 2 2012-04-01 2012-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  20. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 18 Conservation of Power and Water Resources 2 2013-04-01 2012-04-01 true Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  1. 18 CFR 1304.301 - Utilities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Utilities. 1304.301 Section 1304.301 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY APPROVAL OF CONSTRUCTION IN THE TENNESSEE RIVER SYSTEM AND REGULATION OF STRUCTURES AND OTHER ALTERATIONS Activities on...

  2. TRW utility demonstration unit

    SciTech Connect

    Not Available

    1990-01-01

    The TRW Advanced Entrained Coal Combustor Demonstration Project consists of retrofitting Orange and Rockland (O R) Utility Corporation's Lovett Plant Unit No. 3 with four (4) slagging combustors which will allow the gas/oil unit to fire 2.5% sulfur coal. The slagging combustor process will provide NO{sub x} and SO{sub x} emissions that meet NSPS and New York State Environmental Standards. During this report period, activity continued to address the total program funding shortfall. Ideas and responsibilities for further evaluation have been put forward to reduce the shortfall. In addition, an effort aimed at gaining additional program sponsorships, was initiated.

  3. Biogas: Production and utilization

    NASA Astrophysics Data System (ADS)

    Price, E. C.; Cheremisinoff, P. N.

    Among the aspects of biogas production and utilization covered are: (1) the microbiology and biochemistry of the acid and methane production stages in the anaerobic process; (2) factors affecting the process, such as temperature, acidity and alkalinity, nutrients, and cations; (3) denitrification processes and systems; and (4) the process kinetics of suspended growth systems, packed columns, and fluidized beds. Also considered are such issues in the application of this technology as the digestion of municipal treatment plant sludges, animal wastes, food processing wastes and energy crops. Attention is in addition given to anaerobic digester design, offgas measurement of anaerobic digesters, and sludge treatment through soil conditioning and composting.

  4. Tribal Utility Feasibility Study

    SciTech Connect

    Engel, R. A.; Zoellick, J. J.

    2007-06-30

    The Schatz Energy Research Center (SERC) assisted the Yurok Tribe in investigating the feasibility of creating a permanent energy services program for the Tribe. The original purpose of the DOE grant that funded this project was to determine the feasibility of creating a full-blown Yurok Tribal electric utility to buy and sell electric power and own and maintain all electric power infrastructure on the Reservation. The original project consultant found this opportunity to be infeasible for the Tribe. When SERC took over as project consultant, we took a different approach. We explored opportunities for the Tribe to develop its own renewable energy resources for use on the Reservation and/or off-Reservation sales as a means of generating revenue for the Tribe. We also looked at ways the Tribe can provide energy services to its members and how to fund such efforts. We identified opportunities for the development of renewable energy resources and energy services on the Yurok Reservation that fall into five basic categories: • Demand-side management – This refers to efforts to reduce energy use through energy efficiency and conservation measures. • Off-grid, facility and household scale renewable energy systems – These systems can provide electricity to individual homes and Tribal facilities in areas of the Reservation that do not currently have access to the electric utility grid. • Village scale, micro-grid renewable energy systems - These are larger scale systems that can provide electricity to interconnected groups of homes and Tribal facilities in areas of the Reservation that do not have access to the conventional electric grid. This will require the development of miniature electric grids to serve these interconnected facilities. • Medium to large scale renewable energy development for sale to the grid – In areas where viable renewable energy resources exist and there is access to the conventional electric utility grid, these resources can be developed and sold to the wholesale electricity market. • Facility scale, net metered renewable energy systems – These are renewable energy systems that provide power to individual households or facilities that are connected to conventional electric utility grid.

  5. Light duty utility arm

    SciTech Connect

    1998-12-01

    The Light-Duty Utility Arm (LDUA) System is a mobile, multi-axis positioning system capable of deploying tools and sensors (end effecters) inside radioactive waste tanks for tank wall inspection, waste characterization, and waste retrieval. The LDUA robotic manipulator enters a tank through existing openings (risers) in the tank dome of the underground tanks. Using various end effecters, the LDUA System is a versatile system for high-level waste tank remediation. The LDUA System provides a means to deploy tools, while increasing the technology resources available to the U.S. Department of Energy (DOE). Ongoing end effecter development will provide additional capabilities to remediate the waste tanks.

  6. Space Resources Utilization Roundtable

    NASA Technical Reports Server (NTRS)

    1999-01-01

    This volume contains abstracts that have been accepted for presentation at the Space Resources Utilization Roundtable, October 27-29, 1999, in Golden, Colorado. The program committee consisted of M. B. Duke (Lunar and Planetary Institute), G. Baughman (Colorado School of Mines), D. Criswell (University of Houston), C. Graham (Canadian Mining Industry Research Organization), H. H. Schmitt (Apollo Astronaut), W. Sharp (Colorado School of Mines), L. Taylor (University of Tennessee), and a space manufacturing representative. Administration and publications support for this meeting were provided by the staff of the Publications and Program Services Department at the Lunar and Planetary Institute.

  7. Proceedings of the distributed utility valuation project institutional issues workshop

    SciTech Connect

    Not Available

    1994-09-01

    These proceedings summarize the discussions during a one-day working session on institutional issues related to the distributed utility (DU) concept. The purpose of the session was to provide an initial assessment of the {open_quotes}institutional{close_quotes} issues, including legal, regulatory, industry structure, utility organization, competition, and related matters that may affect the development and the relationships among distributed utility stakeholders. The assessment was to identify institutional barriers to utilities realizing benefits of the distributed concept (should these benefits be confirmed), as well as to identify opportunities for utilities and other stakeholders for moving ahead to more easily capture these benefits.

  8. Lunar construction utility vehicle

    NASA Technical Reports Server (NTRS)

    1989-01-01

    The lunar construction utility vehicle (LCUV) is an all-purpose construction vehicle which will aid in the robotic assembly of a lunar outpost. The LCUV will have the following capabilities: (1) must be self supporting including repairs; (2) must offload itself from a lunar lander; (3) must be telerobotic and semi-autonomous; (4) must be able to transport one space station common module; (5) must allow for man-rated operation; and (6) must be able to move lunar regolith for site preparation. This study recommends the use of an elastic tracked vehicle. Detailed material analyses of most of the LCUV components were accomplished. The body frame, made of pinned truss elements, was stress analyzed using NASTRAN. A track connection system was developed; however, kinematic and stress analyses are still required. This design recommends the use of hydrogen-oxygen fuel cells for power. Thermal control has proven to be a problem which may be the most challenging technically. A tentative solution has been proposed which utilizes an onboard and towable radiator. Detailed study of the heat dissipation requirements is needed to finalize radiator sizing. Preliminary work on a man-rated cabin has begun; however, this is not required during the first mission phase of the LCUV. Finally, still in the conceptual phases, are the communication, navigation and mechanical arm systems.

  9. Utility Static Generation Reliability

    Energy Science and Technology Software Center (ESTSC)

    1993-03-05

    PICES (Probabilistic Investigation of Capacity and Energy Shortages) was developed for estimating an electric utility''s expected frequency and duration of capacity deficiencies on a daily on and off-peak basis. In addition to the system loss-of-load probability (LOLP) and loss-of-load expectation (LOLE) indices, PICES calculates the expected frequency and duration of system capacity deficiencies and the probability, expectation, and expected frequency and duration of a range of system reserve margin states. Results are aggregated and printedmore »on a weekly, monthly, or annual basis. The program employs hourly load data and either the two-state (on/off) or a more sophisticated three-state (on/partially on/fully off) generating unit representation. Unit maintenance schedules are determined on a weekly, levelized reserve margin basis. In addition to the 8760-hour annual load record, the user provides the following information for each unit: plant capacity, annual maintenance requirement, two or three-state unit failure and repair rates, and for three-state models, the partial state capacity deficiency. PICES can also supply default failure and repair rate values, based on the Edison Electric Institute''s 1979 Report on Equipment Availability for the Ten-Year Period 1968 Through 1977, for many common plant types. Multi-year analysis can be performed by specifying as input data the annual peak load growth rates and plant addition and retirement schedules for each year in the study.« less

  10. Intelligent utility meter system

    SciTech Connect

    Frew, L.H.; Fuller, M.L.

    1989-02-07

    An intelligent utility meter system installation is described for measuring A.C. electric energy having repetitive A.C. cycles, comprising: (1) an ''outside'' principal meter unit including: (a) means for sampling current and voltage and for calculating power consumption at least 300 times per second; the sampling occurring asynchronously and not in any fixed time relationship with respect to the A.C. electricity cycles; (b) the outside unit further including means for determining the total kilowatt hours used, and the present billing status; and (c) alphanumeric display means for displaying power being used, total kilowatt hours and present billing status; (2) a remote ''inside'' unit including: (a) alphanumeric means for displaying the information displayed by the ''outside'' unit; (b) means for selectively retaining a desired continuously updated display; and (c) means for reading a credit card and automatically changing the billing status information within the intelligent utility meter as credit card information is read; and (3) the system including means for determining both the magnitude and direction of the electric power passing through the meter system.

  11. Alloyed steel wastes utilization

    SciTech Connect

    Sokol, I.V.

    1995-12-31

    Alloyed steel chips and swarf formed during metal processing are looked upon as additional raw materials in metallurgical production. This paper presents some new methods for steel waste chips and swarf cleaning. One of them is swarf and steel chips cleaning in tetrachloroethylene with ultrasonic assistance and solvent regeneration. Thermal cleaning of waste chips and swarf provides off gas products utilization. The catalyst influence of the metal surface on the thermal decomposition of liquid hydrocarbons during the cleaning process has been studied. It has been determined that the efficiency of this metal waste cleaning technique depends on the storage time of the swarf. The waste chips and swarf cleaning procedures have been proven to be economically advantageous and environmentally appropriate.

  12. Optimal Electric Utility Expansion

    Energy Science and Technology Software Center (ESTSC)

    1989-10-10

    SAGE-WASP is designed to find the optimal generation expansion policy for an electrical utility system. New units can be automatically selected from a user-supplied list of expansion candidates which can include hydroelectric and pumped storage projects. The existing system is modeled. The calculational procedure takes into account user restrictions to limit generation configurations to an area of economic interest. The optimization program reports whether the restrictions acted as a constraint on the solution. All expansionmore » configurations considered are required to pass a user supplied reliability criterion. The discount rate and escalation rate are treated separately for each expansion candidate and for each fuel type. All expenditures are separated into local and foreign accounts, and a weighting factor can be applied to foreign expenditures.« less

  13. Administrative Utility Analysis.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    Puerto Rico's economic growth has accentuated the need for a larger vocational education program capable of handling the demand for occupationally-trained personnel. The Area of Vocational and Technical Education (AVTE) operates within the general structure of the Puerto Rico Department of Education, and AVTE programs must be adapted to the growth…

  14. Construction utilization of foamed waste glass.

    PubMed

    Lu, Jiang; Onitsuka, Katsutada

    2004-01-01

    Foamed waste glass (FWG) material is newly developed for the purpose to utilize the waste glassware and other waste glass. FWG has a multi-porous structure that consists of continuous or discontinuous voids. Hence lightweight but considerable stiffness can be achieved. In the present study, the manufacture and engineering properties of FWG are introduced first. Then, the utilizations of FWG are investigated in laboratory tests and field tests. Some case studies on design and construction work are also reported here. Through these studies we know that the discontinuous void material can be utilized as a lightweight fill material, ground improvement material and lightweight aggregate for concrete. On the other hand, the continuous void material can be used as water holding material for the greening of ground slope and rooftop, and as clarification material for water. PMID:15137660

  15. YEAR 2 BIOMASS UTILIZATION

    SciTech Connect

    Christopher J. Zygarlicke

    2004-11-01

    This Energy & Environmental Research Center (EERC) Year 2 Biomass Utilization Final Technical Report summarizes multiple projects in biopower or bioenergy, transportation biofuels, and bioproducts. A prototype of a novel advanced power system, termed the high-temperature air furnace (HITAF), was tested for performance while converting biomass and coal blends to energy. Three biomass fuels--wood residue or hog fuel, corn stover, and switchgrass--and Wyoming subbituminous coal were acquired for combustion tests in the 3-million-Btu/hr system. Blend levels were 20% biomass--80% coal on a heat basis. Hog fuel was prepared for the upcoming combustion test by air-drying and processing through a hammer mill and screen. A K-Tron biomass feeder capable of operating in both gravimetric and volumetric modes was selected as the HITAF feed system. Two oxide dispersion-strengthened (ODS) alloys that would be used in the HITAF high-temperature heat exchanger were tested for slag corrosion rates. An alumina layer formed on one particular alloy, which was more corrosion-resistant than a chromia layer that formed on the other alloy. Research activities were completed in the development of an atmospheric pressure, fluidized-bed pyrolysis-type system called the controlled spontaneous reactor (CSR), which is used to process and condition biomass. Tree trimmings were physically and chemically altered by the CSR process, resulting in a fuel that was very suitable for feeding into a coal combustion or gasification system with little or no feed system modifications required. Experimental procedures were successful for producing hydrogen from biomass using the bacteria Thermotoga, a deep-ocean thermal vent organism. Analytical procedures for hydrogen were evaluated, a gas chromatography (GC) method was derived for measuring hydrogen yields, and adaptation culturing and protocols for mutagenesis were initiated to better develop strains that can use biomass cellulose. Fly ash derived from cofiring coal with waste paper, sunflower hulls, and wood waste showed a broad spectrum of chemical and physical characteristics, according to American Society for Testing and Materials (ASTM) C618 procedures. Higher-than-normal levels of magnesium, sodium, and potassium oxide were observed for the biomass-coal fly ash, which may impact utilization in cement replacement in concrete under ASTM requirements. Other niche markets for biomass-derived fly ash were explored. Research was conducted to develop/optimize a catalytic partial oxidation-based concept for a simple, low-cost fuel processor (reformer). Work progressed to evaluate the effects of temperature and denaturant on ethanol catalytic partial oxidation. A catalyst was isolated that had a yield of 24 mole percent, with catalyst coking limited to less than 15% over a period of 2 hours. In biodiesel research, conversion of vegetable oils to biodiesel using an alternative alkaline catalyst was demonstrated without the need for subsequent water washing. In work related to biorefinery technologies, a continuous-flow reactor was used to react ethanol with lactic acid prepared from an ammonium lactate concentrate produced in fermentations conducted at the EERC. Good yields of ester were obtained even though the concentration of lactic acid in the feed was low with respect to the amount of water present. Esterification gave lower yields of ester, owing to the lowered lactic acid content of the feed. All lactic acid fermentation from amylose hydrolysate test trials was completed. Management activities included a decision to extend several projects to December 31, 2003, because of delays in receiving biomass feedstocks for testing and acquisition of commercial matching funds. In strategic studies, methods for producing acetate esters for high-value fibers, fuel additives, solvents, and chemical intermediates were discussed with several commercial entities. Commercial industries have an interest in efficient biomass gasification designs but are waiting for economic incentives. Utility, biorefinery, pulp and paper, or other industries are interested in lignin as a potential fuel or feedstock but need more information on properties.

  16. New service opportunities for electric utilities. Final report

    SciTech Connect

    Pickles, D.K.; Destribats, A.F.

    1994-07-01

    This report provides an overview of utility experience with diversification into non-traditional areas closely related to the core business. Specific examples of utility activities are discussed, and emphasis is placed on identifying {open_quotes}lessons learned{close_quotes} and other significant factors which contribute to, or detract from, the ultimate success of the activity. This report identifies numerous factors which contribute to the success of diversification activities in four general categories: (1) financial services, (2) communication services, (3) information services, and (4) products. Each category is developed with respect to: the customer need, the utility opportunity, and preliminary experience and issues. Overarching issues with respect to utility diversification generally are also discussed. Major findings include the identification of meaningful utility opportunity in several areas, along with several structural characteristics which utilities will need to address. These characteristics highlight the fact that how a utility chooses to diversify may be as important as the actual activity chosen.

  17. National Utility Rate Database: Preprint

    SciTech Connect

    Ong, S.; McKeel, R.

    2012-08-01

    When modeling solar energy technologies and other distributed energy systems, using high-quality expansive electricity rates is essential. The National Renewable Energy Laboratory (NREL) developed a utility rate platform for entering, storing, updating, and accessing a large collection of utility rates from around the United States. This utility rate platform lives on the Open Energy Information (OpenEI) website, OpenEI.org, allowing the data to be programmatically accessed from a web browser, using an application programming interface (API). The semantic-based utility rate platform currently has record of 1,885 utility rates and covers over 85% of the electricity consumption in the United States.

  18. Diversification performance of electric utilities

    SciTech Connect

    Silverman, M.

    1993-03-01

    Changes in the electric utility business environment has prompted a wave of diversification activity during the 1980s, although there has been little empirical research available to strategic decision makers in the utilities regarding most effective approaches to diversification. This study of 33 diversified electric utilities confirms that utilities pursuing investment in closely related businesses, rather than in financial services or other less related fields, have dramatically greater chances of succeeding. This article examines the extent and types of diversification pursued by investor-owned electric utilities as of 1990, and assesses the relationship between different approaches to diversification and resultant financial performance.

  19. PFBC Utility Demonstration Project

    SciTech Connect

    Not Available

    1992-11-01

    This report provides a summary of activities by American Electric Power Service Corporation during the first budget period of the PFBC Utility Demonstration Project. In April 1990, AEP signed a Cooperative Agreement with the US Department of Energy to repower the Philip Sporn Plant, Units 3 4 in New Haven, West Virginia, with a 330 KW PFBC plant. The purpose of the program was to demonstrate and verify PFBC in a full-scale commercial plant. The technical and cost baselines of the Cooperative Agreement were based on a preliminary engineering and design and a cost estimate developed by AEP subsequent to AEP's proposal submittal in May 1988, and prior to the signing of the Cooperative Agreement. The Statement of Work in the first budget period of the Cooperative Agreement included a task to develop a preliminary design and cost estimate for erecting a Greenfield plant and to conduct a comparison with the repowering option. The comparative assessment of the options concluded that erecting a Greenfield plant rather than repowering the existing Sporn Plant could be the technically and economically superior alternative. The Greenfield plant would have a capacity of 340 MW. The ten additional MW output is due to the ability to better match the steam cycle to the PFBC system with a new balance of plant design. In addition to this study, the conceptual design of the Sporn Repowering led to several items which warranted optimization studies with the goal to develop a more cost effective design.

  20. Debating Clinical Utility

    PubMed Central

    Burke, W.; Laberge, A.-M.; Press, N.

    2010-01-01

    The clinical utility of genetic tests is determined by the outcomes following test use. Like other measures of value, it is often contested. Stakeholders may have different views about benefits and risks and about the importance of social versus health outcomes. They also commonly disagree about the evidence needed to determine whether a test is effective in achieving a specific outcome. Questions may be presented as factual disagreements, when they are actually debates about what information matters or how facts should be interpreted and used in clinical decision-making. Defining the different issues at stake is therefore an important element of policy-making. Key issues include evidence standards for test use, and in particular, the circumstances under which prospective controlled data should be required, as well as evidence on feasibility, cost and equitable delivery of testing; the goals of population-based screening programs, and in particular, the role of social outcomes in evaluating test value; and the appropriate uses and funding of tests that inform non-medical actions. Addressing each of these issues requires attention to stakeholder values and methods for effective deliberation that incorporate consumer as well as health professional perspectives. PMID:20395690

  1. Space Resources Utilization Roundtable

    NASA Astrophysics Data System (ADS)

    1999-01-01

    This volume contains abstracts on various topics. These topics include; Economics of Lunar Mineral Exploration; Lunar Solar Power System and Lunar Development; Space Resource Roundtable Rationale; Successfully Mining Asteroids and Comets; Lunar Polar Ice: Method for Mining the New Resource for Exploration; Acoustic Shaping: Enabling Technology for a Space-based Economy; Return to the Moon: A New Strategic Evaluation; Spacewatch Discovery and Study of Accessible Asteroids; Role of Mining in Space Development; A Commercial/Lunar Resources Exploration Concept; Radar Reconnaissance of Near-Earth Asteroids; Solar Energy Conversion Using In Situ Lunar Soil; The Application of Thermal Plasmas to Ore Reduction for In Situ Resource Utilization; Prospecting Near-Earth Asteroids from the Ground; Some Implications of Space Tourism for Extraterrestrial Resources; An Overview of NASA's Current In Situ Consumable Production (ISCP) Development Activities and Goals; Prospectives on Lunar Helium-3; Self-Propagating High-Temperature Synthesis for In Situ Materials Processing; Subsurface Exploration from Lander and Rover Platforms with Seismic Surface Waves; Space Weathering and the Formation of Lunar Soil: The Moon as the Model for all Airless Bodies in the Solar System; and Acoustic Shaping in Microgravity: Technology Issues.

  2. Utility diversification: a regulatory perspective

    SciTech Connect

    York, S.; Malko, J.R.

    1983-01-06

    Many electric, gas, and telephone utility companies have in recent years been exploring the potential of entry into unregulated, nonutility businesses as a means of enhancing overall profitability and returns realized by shareowners. Utility regulators have long viewed expansions by regulated utility companies into such enterprises as fraught with possibilities for injury to utility ratepayers. Because of the recent step-up of diversification activity by utilities, the National Association of Regulatory Utility Commissioners decided in 1981 to conduct a thorough investigation to identify the issues raised by diversification and, where appropriate, make recommendations on how those issues should be resolved. This article reviews actions of the association's Ad Hoc Committee on Utility Diversification and the conclusions reached in its investigation. 9 references, 2 figures.

  3. Utilization Review and Evaluation in a Community Mental Health Center.

    ERIC Educational Resources Information Center

    Riedel, Donald C.; And Others

    The paper presents the conceptual framework and research strategy of the psychiatric utilization review and evaluation (PURE) project at the Connecticut Mental Health Center. Review by structure, by outcome and by process are considered briefly. The Basic Utilization Review Program was developed to provide a more sophisticated and economical

  4. Coal science: An introduction to chemistry, technology and utilization

    SciTech Connect

    Hessley, R.K.; Reasoner, J.W.; Riley, J.T.

    1986-01-01

    This book presents the chemistry and geology of coal. It describes aspects of the petrology and petrographic characterization of coal, the processes involved in coal conversion and utilization, and the testing and analysis of coal. It includes recent statistics regarding production and utilization, as well as recent developments in structure, reactivity and routine analysis.

  5. 44. Detail, bridge land span outboard girder brackets carrying utility ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    44. Detail, bridge land span outboard girder brackets carrying utility conduit. Structure rests on granite blocks mounted on granite piers. - Broadway Bridge, Spanning Foundry Street, MBTA Yard, Fort Point Channel, & Lehigh Street, Boston, Suffolk County, MA

  6. Leak detection utilizing analog binaural (VLSI) techniques

    NASA Technical Reports Server (NTRS)

    Hartley, Frank T. (Inventor)

    1995-01-01

    A detection method and system utilizing silicon models of the traveling wave structure of the human cochlea to spatially and temporally locate a specific sound source in the presence of high noise pandemonium. The detection system combines two-dimensional stereausis representations, which are output by at least three VLSI binaural hearing chips, to generate a three-dimensional stereausis representation including both binaural and spectral information which is then used to locate the sound source.

  7. Utilities must do more communicating

    SciTech Connect

    Uhler, R.G.

    1981-01-01

    The dramatic changes within the electric-utility industry over the past decade require them to do a greater and more effective job of communicating with their customers. When the revenues and advertising burgets for investor-owned electric utilities over a six-year period are compared with the revenues and ad dollars of other large industries and selected companies, the discrepancy is apparent. The ad costs for just one brand of cigarette are three-fourths of all utility ad spending. The utilities need to use advertising to explain new service programs and rate strategies to the public. 3 figures.

  8. Supplier Selection Using Weighted Utility Additive Method

    NASA Astrophysics Data System (ADS)

    Karande, Prasad; Chakraborty, Shankar

    2015-10-01

    Supplier selection is a multi-criteria decision-making (MCDM) problem which mainly involves evaluating a number of available suppliers according to a set of common criteria for choosing the best one to meet the organizational needs. For any manufacturing or service organization, selecting the right upstream suppliers is a key success factor that will significantly reduce purchasing cost, increase downstream customer satisfaction and improve competitive ability. The past researchers have attempted to solve the supplier selection problem employing different MCDM techniques which involve active participation of the decision makers in the decision-making process. This paper deals with the application of weighted utility additive (WUTA) method for solving supplier selection problems. The WUTA method, an extension of utility additive approach, is based on ordinal regression and consists of building a piece-wise linear additive decision model from a preference structure using linear programming (LP). It adopts preference disaggregation principle and addresses the decision-making activities through operational models which need implicit preferences in the form of a preorder of reference alternatives or a subset of these alternatives present in the process. The preferential preorder provided by the decision maker is used as a restriction of a LP problem, which has its own objective function, minimization of the sum of the errors associated with the ranking of each alternative. Based on a given reference ranking of alternatives, one or more additive utility functions are derived. Using these utility functions, the weighted utilities for individual criterion values are combined into an overall weighted utility for a given alternative. It is observed that WUTA method, having a sound mathematical background, can provide accurate ranking to the candidate suppliers and choose the best one to fulfill the organizational requirements. Two real time examples are illustrated to prove its applicability and appropriateness in solving supplier selection problems.

  9. Acid rain & electric utilities II

    SciTech Connect

    1997-12-31

    This document presents reports which were presented at the Acid Rain and Electric Utilities Conference. Topics include environmental issues and electric utilities; acid rain program overview; global climate change and carbon dioxide; emissions data management; compliance; emissions control; allowance and trading; nitrogen oxides; and assessment. Individual reports have been processed separately for the United States Department of Energy databases.

  10. Wooden utility poles stand tall

    SciTech Connect

    Not Available

    1990-05-01

    This article discusses the utilization and preservation of wooden power distribution poles. Methods of inspecting wooden utility poles are described, including:sonic detectors, x rays, tomographic instruments, and pulsed current analyzers. Means of combatting decay, deterioration, and damage are discussed.

  11. Xylose utilization in recombinant zymomonas

    DOEpatents

    Caimi, Perry G; McCole, Laura; Tao, Luan; Tomb, Jean-Francois; Viitanen, Paul V

    2014-03-25

    Xylose-utilizing Zymomonas strains studied were found to accumulate ribulose when grown in xylose-containing media. Engineering these strains to increase ribose-5-phosphate isomerase activity led to reduced ribulose accumulation, improved growth, improved xylose utilization, and increased ethanol production.

  12. Quality improvement for utilities management.

    PubMed

    Kuechenmeister, M

    1993-08-01

    Utilities management has become a complex function in today's health care facility. Quality improvement, along with trending occurrences with utility equipment, will help the facilities manager reduce the amount of maintenance service calls due to recurring problems. This document will show examples of trending problems and their resolutions. PMID:10132473

  13. Utility supply portfolio diversity requirements

    SciTech Connect

    Hanser, Philip; Graves, Frank

    2007-06-15

    In general, diversification for its own sake by utilities is likely to come at significant cost from ignoring or having to overcome engineering reasons for preferring a less diversified portfolio of resources. Integrated utilities, distcos and merchant gencos are likely to pursue widely divergent strategies in this regard. (author)

  14. Utilities combat theft of service

    SciTech Connect

    Lady, P.

    1983-01-01

    Today theft of service has become a serious problem for the gas utilities (one utility estimated it to be 10% of its net profit) and many companies have established special departments or units to deal with it. Major factors contributing to gas theft are (1) the price escalation after the 1973-74 oil embargo, (2) high unemployment, (3) poor economic conditions, (4) a general decline in respect for utilities and the law, (5) minimal risk to offenders (customers feel that nothing will happen to them if they get caught), (6) relatively low skill required to illegally restore utility service, and (7) the attitude of getting something for nothing. Some preventive methods now being recommended include the following: (1) the use of computers to scan consumption patterns, (2) unannounced meter readings, and (3) tips from hotline tape recordings and from meter readers, departments, and neighboring utilities.

  15. Utility of Remote Sensing, Robotic Precursor Data and a Focused Science Hypothesis for a Follow-On Human Exploration Lunar Analogue Mission at the Mistastin Lake (Kamestastin) Impact Structure

    NASA Astrophysics Data System (ADS)

    Tornabene, L. L.; Osinski, G. R.; Mader, M. M.; Chanou, A.; Francis, R.; Joliff, B. L.; Marion, C.; McCullough, E.; Pickersgill, A.; Sapers, H.; Souders, K.; Sylvester, P.; Young, K.; Zanetti, M.; Krash Operations; Science Team

    2012-03-01

    Here we summarize how remote sensing, robotic precursor data and a focused science hypothesis augmented the results from a lunar analogue mission to the Mistastin impact structure in Labrador, Canada. Join me as we go on a magical tour of this crater.

  16. Calculating cost savings in utilization management.

    PubMed

    MacMillan, Donna

    2014-01-01

    A major motivation for managing the utilization of laboratory testing is to reduce the cost of medical care. For this reason it is important to understand the basic principles of cost accounting in the clinical laboratory. The process of laboratory testing includes three distinct components termed the pre-analytic, analytic and post-analytic phases. Utilization management efforts may impact the cost structure of these three phases in different ways depending on the specific details of the initiative. Estimates of cost savings resulting from utilization management programs reported in the literature have often been fundamentally flawed due to a failure to understand basic concepts such as the difference between laboratory costs versus charges and the impact of reducing laboratory test volumes on the average versus marginal cost structure in the laboratory. This article will provide an overview of basic cost accounting principles in the clinical laboratory including both job order and process cost accounting. Specific examples will be presented to illustrate these concepts in various different scenarios. PMID:24084505

  17. Utilizing a one-dimensional multispecies model to simulate the nutrient reduction and biomass structure in two types of H2-based membrane-aeration biofilm reactors (H2-MBfR): model development and parametric analysis.

    PubMed

    Wang, Zuowei; Xia, Siqing; Xu, Xiaoyin; Wang, Chenhui

    2016-02-01

    In this study, a one-dimensional multispecies model (ODMSM) was utilized to simulate NO3 (-)-N and ClO4 (-) reduction performances in two kinds of H2-based membrane-aeration biofilm reactors (H2-MBfR) within different operating conditions (e.g., NO3 (-)-N/ClO4 (-) loading rates, H2 partial pressure, etc.). Before the simulation process, we conducted the sensitivity analysis of some key parameters which would fluctuate in different environmental conditions, then we used the experimental data to calibrate the more sensitive parameters ?1 and ?2 (maximum specific growth rates of denitrification bacteria and perchlorate reduction bacteria) in two H2-MBfRs, and the diversity of the two key parameters' values in two types of reactors may be resulted from the different carbon source fed in the reactors. From the simulation results of six different operating conditions (four in H2-MBfR 1 and two in H2-MBfR 2), the applicability of the model was approved, and the variation of the removal tendency in different operating conditions could be well simulated. Besides, the rationality of operating parameters (H2 partial pressure, etc.) could be judged especially in condition of high nutrients' loading rates. To a certain degree, the model could provide theoretical guidance to determine the operating parameters on some specific conditions in practical application. PMID:26490919

  18. Super-resolution imaging of lateral distribution for the blue-light emission of an InGaN single-quantum-well structure utilizing the stimulated emission depletion effect.

    PubMed

    Kozawa, Yuichi; Kusama, Yuta; Sato, Shunichi; Yokoyama, Hiroyuki

    2014-09-22

    We have observed a remarkable decrease in photoluminescence (PL) from a blue-light emitting InGaN single-quantum-well (SQW) structure under the radiation of a green laser due to the stimulated emission depletion (STED) phenomenon. By extending the observed STED effect, super-resolution imaging of the blue-light emission lateral distribution was demonstrated for the InGaN-SQW structure through co-irradiation using a doughnut-shaped green light beam and a Gaussian-shaped violet excitation light beam. We measured point-spread functions (PSFs) to evaluate the spatial resolution of the system by imaging a small emission area. A lateral PSF size of ~150 nm was confirmed, which was approximately 40% smaller than that without the STED beam. This demonstrates that the STED technique is applicable for PL imaging of semiconductor quantum structures. The present approach may make possible a new strategy for characterizing and investigating the spatial inhomogeneity of emission properties and carrier dynamics in InGaN-based quantum wells, as well as in other semiconductor materials exhibiting quantum confinement effects. PMID:25321726

  19. Healthcare Utilization Monitoring System in Korea

    PubMed Central

    Shin, Hyun Chul; Lee, Youn Tae; Jo, Emmanuel C.

    2015-01-01

    Objectives It is important to monitor the healthcare utilization of patients at the national level to make evidence-based policy decisions and manage the nation's healthcare sector. The Health Insurance Review & Assessment Service (HIRA) has run a Healthcare Utilization Monitoring System (HUMS) since 2008. The objective of this paper is to introduce HIRA's HUMS. Methods This study described the HUMS's system structure, capacity, functionalities, and output formats run by HIRA in the Republic of Korea. Regarding output formats, this study extracted diabetes related health insurance claims through the HUMS from August 1, 2014 to May 31, 2015. Results The HUMS has kept records of health insurance claim data for 4 years. It has a 14-terabyte hardware capacity and employs several easy-to-use programs for maintenance of the system, such as MSTR, SAS, etc. Regarding functionalities, users should input diseases codes, target periods, facility types, and types of attributes, such as the number of healthcare utilizations or healthcare costs. It also has a functionality to predict healthcare utilization and costs. When this study extracted diabetes related data, it was found that the trend of healthcare costs for the treatment of diabetes and the number of patients with diabetes were increasing. Conclusions HIRA's HUMS works well to monitor healthcare utilization of patients at the national level. The HUMS has a high-capacity hardware infrastructure and several operational programs that allows easy access to summaries as well as details to identify contributing factors for abnormality, but it has a limitation in that there is often a time lag between the provision of healthcare to patients and the filing of health claims. PMID:26279955

  20. Ion-thruster propellant utilization

    NASA Technical Reports Server (NTRS)

    Kaufman, H. R.

    1971-01-01

    The evaluation and understanding of maximum propellant utilization, with mercury used as the propellant are presented. The primary-electron region in the ion chamber of a bombardment thruster is analyzed at maximum utilization. The results of this analysis, as well as experimental data from a range of ion-chamber configurations, show a nearly constant loss rate for unionized propellant at maximum utilization over a wide range of total propellant flow rate. The discharge loss level of 1000 eV/ion was used as a definition of maximum utilization, but the exact level of this definition has no effect on the qualitative results and little effect on the quantitative results. There are obvious design applications for the results of this investigation, but the results are particularly significant whenever efficient throttled operation is required.

  1. Efficient utilization of washery tailings

    SciTech Connect

    Lyadov, V.V.; Litmanovich, I.M.

    1982-05-01

    The possibility of building a plant in Makeevka for the utilization of jigging machine tailings from the Yasinovka and Makeevka Coke Works washeries for production of lightweight concrete fillers and wall materials is being investigated.

  2. IDENTIFYING VULNERABLE SURFACE WATER UTILITIES

    EPA Science Inventory

    This study was conducted to provide a mechanism and framework with which utility managers could analyze the effects of upstream discharges on source waters. Specific components of the project included selection, implementation, and demonstration of a microcomputer-based commerci...

  3. Energy Conservation Through Effective Utilization

    ERIC Educational Resources Information Center

    Berg, Charles A.

    1973-01-01

    Discusses various ways in which the demand for energy could be decreased, focusing not so much on discouraging demand by increasing prices, as on reducing energy consumption by improving efficiency of energy utilization in buildings and in industry. (JR)

  4. Deregulation and diversification of utilities

    SciTech Connect

    Crew, M. )

    1989-01-01

    This book deals with some of the major current issues of diversification and deregulation facing public utilities and regulators. The current movement for competition and deregulation in telecommunications is discussed. The importance of deregulation and diversification is addressed.

  5. Cost Avoidance vs. Utility Bill Accounting - Explaining theDiscrepancy Between Guaranteed Savings in ESPC Projects and UtilityBills

    SciTech Connect

    Kumar, S.; Sartor, D.

    2005-08-15

    Federal agencies often ask if Energy Savings PerformanceContracts (ESPCs) result in the energy and cost savings projected duringthe project development phase. After investing in ESPCs, federal agenciesexpect a reduction in the total energy use and energy cost at the agencylevel. Such questions about the program are common when implementing anESPC project. But is this a fair or accurate perception? Moreimportantly, should the federal agencies evaluate the success or failureof ESPCs by comparing the utility costs before and after projectimplementation?In fact, ESPC contracts employ measurement andverification (M&V) protocols to measure and ensure kilowatt-hour orBTU savings at the project level. In most cases, the translation toenergy cost savings is not based on actual utility rate structure, but acontracted utility rate that takes the existing utility rate at the timethe contract is signed with a clause to escalate the utility rate by afixed percentage for the duration of the contract. Reporting mechanisms,which advertise these savings in dollars, may imply an impact to budgetsat a much higher level depending on actual utility rate structure. FEMPhas prepared the following analysis to explain why the utility billreduction may not materialize, demonstrate its larger implication onagency s energy reduction goals, and advocate setting the rightexpectations at the outset to preempt the often asked question why I amnot seeing the savings in my utility bill?

  6. Moose (Alces alces) reacts to high summer temperatures by utilizing thermal shelters in boreal forests - an analysis based on airborne laser scanning of the canopy structure at moose locations.

    PubMed

    Melin, Markus; Matala, Juho; Mehtätalo, Lauri; Tiilikainen, Raisa; Tikkanen, Olli-Pekka; Maltamo, Matti; Pusenius, Jyrki; Packalen, Petteri

    2014-04-01

    The adaptation of different species to warming temperatures has been increasingly studied. Moose (Alces alces) is the largest of the ungulate species occupying the northern latitudes across the globe, and in Finland it is the most important game species. It is very well adapted to severe cold temperatures, but has a relatively low tolerance to warm temperatures. Previous studies have documented changes in habitat use by moose due to high temperatures. In many of these studies, the used areas have been classified according to how much thermal cover they were assumed to offer based on satellite/aerial imagery data. Here, we identified the vegetation structure in the areas used by moose under different thermal conditions. For this purpose, we used airborne laser scanning (ALS) data extracted from the locations of GPS-collared moose. This provided us with detailed information about the relationships between moose and the structure of forests it uses in different thermal conditions and we were therefore able to determine and differentiate between the canopy structures at locations occupied by moose during different thermal conditions. We also discovered a threshold beyond which moose behaviour began to change significantly: as day temperatures began to reach 20 °C and higher, the search for areas with higher and denser canopies during daytime became evident. The difference was clear when compared to habitat use at lower temperatures, and was so strong that it provides supporting evidence to previous studies, suggesting that moose are able to modify their behaviour to cope with high temperatures, but also that the species is likely to be affected by warming climate. PMID:24115403

  7. High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.

    PubMed

    Gagnon, Susannah M L; Meloncelli, Peter J; Zheng, Ruixiang B; Haji-Ghassemi, Omid; Johal, Asha R; Borisova, Svetlana N; Lowary, Todd L; Evans, Stephen V

    2015-11-01

    Homologous glycosyltransferases α-(1→3)-N-acetylgalactosaminyltransferase (GTA) and α-(1→3)-galactosyltransferase (GTB) catalyze the final step in ABO(H) blood group A and B antigen synthesis through sugar transfer from activated donor to the H antigen acceptor. These enzymes have a GT-A fold type with characteristic mobile polypeptide loops that cover the active site upon substrate binding and, despite intense investigation, many aspects of substrate specificity and catalysis remain unclear. The structures of GTA, GTB, and their chimeras have been determined to between 1.55 and 1.39 Å resolution in complex with natural donors UDP-Gal, UDP-Glc and, in an attempt to overcome one of the common problems associated with three-dimensional studies, the non-hydrolyzable donor analog UDP-phosphono-galactose (UDP-C-Gal). Whereas the uracil moieties of the donors are observed to maintain a constant location, the sugar moieties lie in four distinct conformations, varying from extended to the "tucked under" conformation associated with catalysis, each stabilized by different hydrogen bonding partners with the enzyme. Further, several structures show clear evidence that the donor sugar is disordered over two of the observed conformations and so provide evidence for stepwise insertion into the active site. Although the natural donors can both assume the tucked under conformation in complex with enzyme, UDP-C-Gal cannot. Whereas UDP-C-Gal was designed to be "isosteric" with natural donor, the small differences in structure imposed by changing the epimeric oxygen atom to carbon appear to render the enzyme incapable of binding the analog in the active conformation and so preclude its use as a substrate mimic in GTA and GTB. PMID:26374898

  8. Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures

    PubMed Central

    Danielson, Matthew L.; Desai, Prashant V.; Mohutsky, Michael A.; Wrighton, Steven A.; Lill, Markus A.

    2011-01-01

    Cytochrome P450 enzymes are responsible for metabolizing many endogenous and xenobiotic molecules encountered by the human body. It has been estimated that 75% of all drugs are metabolized by cytochrome P450 enzymes. Thus, predicting a compound s potential sites of metabolism (SOM) is highly advantageous early in the drug development process. We have combined molecular dynamics, AutoDock Vina docking, the neighboring atom type (NAT) reactivity model, and a solvent-accessible surface-area term to form a reactivity-accessibility model capable of predicting SOM for cytochrome P450 2C9 substrates. To investigate the importance of protein flexibility during the ligand binding process, the results of SOM prediction using a static protein structure for docking were compared to SOM prediction using multiple protein structures in ensemble docking. The results reported here indicate that ensemble docking increases the number of ligands that can be docked in a bioactive conformation (ensemble: 96%, static: 85%) but only leads to a slight improvement (49% vs. 44%) in predicting an experimentally known SOM in the top-1 position for a ligand library of 75 CYP2C9 substrates. Using ensemble docking, the reactivity-accessibility model accurately predicts SOM in the top-1 ranked position for 49% of the ligand library and considering the top-3 predicted sites increases the prediction success rate to approximately 70% of the ligand library. Further classifying the substrate library according to Km values leads to an improvement in SOM prediction for substrates with low Km values (57% at top-1). While the current predictive power of the reactivity-accessibility model still leaves significant room for improvement, the results illustrate the usefulness of this method to identify key protein-ligand interactions and guide structural modifications of the ligand to increase its metabolic stability. PMID:21703735

  9. Identifying and managing inappropriate hospital utilization: a policy synthesis.

    PubMed Central

    Payne, S M

    1987-01-01

    Utilization review, the assessment of the appropriateness and efficiency of hospital care through review of the medical record, and utilization management, deliberate action by payers or hospital administrators to influence providers of hospital services to increase the efficiency and effectiveness with which services are provided, are valuable but relatively unfamiliar strategies for containing hospital costs. The purpose of this synthesis is to increase awareness of the scope of and potential for these approaches among health services managers and administrators, third-party payers, policy analysts, and health services researchers. The synthesis will assist the reader to trace the conceptual context and the historical development of utilization review from unstructured methods using individual physicians' professional judgment to structured methods using explicit criteria; to establish the context of utilization review and clarify its uses; to understand the concepts and tools used in assessing the efficiency of hospital use; and to select, design, and evaluate utilization review and utilization management programs. The extent of inappropriate (medical unnecessary) hospital utilization and the factors associated with it are described. Implications for managers, providers, and third-party payers in targeting utilization review and in designing and evaluating utilization management programs are discussed. PMID:3121538

  10. Regulatory reform and public utilities

    SciTech Connect

    Crew, M.A.

    1982-01-01

    This book results from two seminars regarding the subject title that were held at Rutgers the State University, New Brunswick, NJ on October 30, 1981 and March 26, 1982. The seminars received financial support from leading New Jersey utilities. The introductory chapter (by the editor) and the other nine chapters are all written within the context of the pressures facing regulated utilities and their regulators. A separate abstract was prepared for each chapter.

  11. The 1990 utility tax conference

    SciTech Connect

    Norris, J.E.

    1990-12-06

    This article reports on the Sixth Annual Utility Tax Conference held in Washington, D.C. in October. Topics of the conference concerned tax issues associated with depreciable assets, employee benefits plans, valuation on utility property, pollution control, and restructuring and reorganization. Also discussed briefly were the tax changes being considered at that time as part of the negotiation of the details of the Omnibus Budget Reconciliation Act.

  12. Photovoltaics: New opportunities for utilities

    SciTech Connect

    Not Available

    1991-07-01

    This publication presents information on photovoltaics. The following topics are discussed: Residential Photovoltaics: The New England Experience Builds Confidence in PV; Austin's 300-kW Photovoltaic Power Station: Evaluating the Breakeven Costs; Residential Photovoltaics: The Lessons Learned; Photovoltaics for Electric Utility Use; Least-Cost Planning: The Environmental Link; Photovoltaics in the Distribution System; Photovoltaic Systems for the Rural Consumer; The Issues of Utility-Intertied Photovoltaics; and Photovoltaics for Large-Scale Use: Costs Ready to Drop Again.

  13. A social systems model of hospital utilization.

    PubMed Central

    Anderson, J G

    1976-01-01

    A social systems model for the health services system serving the state of New Mexico is presented. Utilization of short-term general hospitals is viewed as a function of sociodemographic characteristics of the population and of the supply of health manpower and facilities available to that population. The model includes a network specifying the causal relationships hypothesized as existing among a set of social, demographic, and economic variables known to be related to the supply of health manpower and facilities and to their utilization. Inclusion of feedback into the model as well as lagged values of physician supply variables permits examination of the dynamic behavior of the social system over time. A method for deriving the reduced form of the structural model is presented along with the reduced-form equations. These equations provide valuable information for policy decisions regarding the likely consequences of changes in the structure of the population and in the supply of health manpower and facilities. The structural and reduced-form equations have been used to predict the consequences for one New Mexico county of state and federal policies that would affect the organization and delivery of health services. PMID:1017949

  14. Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.

    PubMed

    Brodney, Michael A; Beck, Elizabeth M; Butler, Christopher R; Barreiro, Gabriela; Johnson, Eric F; Riddell, David; Parris, Kevin; Nolan, Charles E; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E; Doran, Shawn D; Bundesmann, Mark W; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C; Ogilvie, Kevin; Price, Loren; Sakya, Subas M; Yu, Aijia; Zhang, Yong; O'Neill, Brian T

    2015-04-01

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer's disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug-drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins. PMID:25781223

  15. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    PubMed Central

    2016-01-01

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins. PMID:25781223

  16. Role-allocated combination of two types of hydrogen bonds towards constructing a breathing diamondoid porous organic salt.

    PubMed

    Yamamoto, Atsushi; Hasegawa, Tetsuya; Hamada, Tomoya; Hirukawa, Tomofumi; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu

    2013-02-25

    A diamondoid porous organic salt (d-POS) composed of 8-hydroxyquinoline-5-sulfonic acid (HQS) and triphenylmethylamine (TPMA) shows reversible structure contraction and expansion ("breathing") in response to guest desorption and adsorption. This flexible structure is designed hierarchically by utilizing two different types of hydrogen bonds. X-ray crystallographic analysis reveals that the two types of hydrogen bonds are formed separately to play respective roles for constructing the d-POS. The strong charge-assisted hydrogen bond between the sulfonate anion of HQS and the ammonium cation of TPMA serves as a static node to provide a supramolecular cluster for a building block. In contrast, the complementary neutral hydrogen bond between the hydroxyl and quinolyl groups of HQS acts as a dynamic linker to connect the clusters. Consequently, these two types of hydrogen bonds yield the d-POS with one-dimensional channels through the formation of diamondoid networks. We clarify that the d-POS undergoes dynamic structure transformation that originates in the cleavage and reformation of the complementary neutral hydrogen bond during guest desorption and adsorption. From the comparative studies, it is also demonstrated that applying the complementary neutral hydrogen bond in the d-POS provides significant advantages in terms of the responsivity of the structure over applying other weak noncovalent interactions for the connection of the clusters. Furthermore, the resultant d-POS also modulates fluorescent profiles dynamically responsive to guest adsorption and desorption. PMID:23307443

  17. Utility of an alternative bicycle commute route of lower proximity to motorised traffic in decreasing exposure to ultra-fine particles, respiratory symptoms and airway inflammation – a structured exposure experiment

    PubMed Central

    2013-01-01

    Background Bicycle commuting in an urban environment of high air pollution is known to be a potential health risk, especially for susceptible individuals. While risk management strategies aimed to reduce exposure to motorised traffic emissions have been suggested, only limited studies have assessed the utility of such strategies in real-world circumstances. Objectives The potential to lower exposure to ultrafine particles (UFP; < 0.1 μm) during bicycle commuting by reducing proximity to motorised traffic was investigated with real-time air pollution and intermittent acute inflammatory measurements in healthy individuals using their typical higher proximity, and an alternative lower proximity, bicycle commute route. Methods Thirty-five healthy adults (mean ± SD: age = 39 ± 11 yr; 29% female) completed two return trips, one each in the condition of their typical route (HIGH) and a pre-determined alternative route of lower proximity to motorised traffic (LOW); proximity being determined by the proportion of on-road cycle paths. Particle number concentration (PNC) and diameter (PD) were monitored in-commute in real-time. Acute inflammatory indices of respiratory symptoms (as a scalar of frequency from very low to very high / 1 to 5), lung function and spontaneous sputum (for inflammatory cell analyses) were collected immediately pre-commute, and immediately and three hours post-commute. Results In the condition of LOW, compared to in the condition of HIGH, there was a significant decrease in mean PNC (1.91 x e4 ± 0.93 × e4 ppcc vs. 2.95 × e4 ± 1.50 × e4 ppcc; p ≤ 0.001), and the mean frequency of in-commute offensive odour detection (2.1 vs. 2.8; p = 0.019), dust and soot observation (1.7 vs. 2.3; p = 0.038) and nasopharyngeal irritation (1.5 vs. 1.9; p = 0.007). There were no significant differences between LOW and HIGH in the commute distance and duration (12.8 ± 7.1 vs. 12.0 ± 6.9 km and 44 ± 17 vs. 42 ± 17 min, respectively), or other indices of acute airway inflammation. Conclusions Exposure to PNC and offensive odour, and nasopharyngeal irritation, can be significantly lowered when utilising a route of lower proximity to motorised traffic whilst bicycle commuting, without significantly affecting commute distance or duration. This may bring health benefits for both healthy and susceptible individuals. PMID:23566176

  18. Utilization of thermal effects for silicon photonics

    NASA Astrophysics Data System (ADS)

    Dai, Daoxin; Yu, Longhai; Chen, Sitao; Wu, Hao

    2015-08-01

    Thermal effect plays a key role and has been utilized for various photonic devices. For silicon photonics, the thermal effect is usually important because of the large thermo-optical coefficient of silicon material. This paper gives a review for the utilization of thermal effects for silicon photonics. First, the thermal effect is very beneficial to realize energy-efficient silicon photonic devices with tunability/switchability (including switches, variable optical attenuators, etc). Traditionally metal micro-heater sitting on a buried silicon-on-insulator (SOI) nanowire is used to introduce a phase shift for thermal tunability by injecting a electrical current. An effective way to improve the energy-efficiency of thermal tuning is reducing the volume of the optical waveguide as well as the micro-heater. Our recent work on silicon nanophotonic waveguides with novel nano-heaters based on metal wires as well as graphene ribbons will be summarized. Second, the thermal resistance effect of the metal strip on a hybrid plasmonic waveguide structure can be utilized to realize an ultra-small on-chip photodetector available for an ultra-broad band of wavelength, which will also be discussed.

  19. Energy Efficiency and Electric Utilities

    SciTech Connect

    2007-11-15

    The report is an overview of electric energy efficiency programs. It takes a concise look at what states are doing to encourage energy efficiency and how it impacts electric utilities. Energy efficiency programs began to be offered by utilities as a response to the energy crises of the 1970s. These regulatory-driven programs peaked in the early-1990s and then tapered off as deregulation took hold. Today, rising electricity prices, environmental concerns, and national security issues have renewed interest in increasing energy efficiency as an alternative to additional supply. In response, new methods for administering, managing, and delivering energy efficiency programs are being implemented. Topics covered in the report include: Analysis of the benefits of energy efficiency and key methods for achieving energy efficiency; evaluation of the business drivers spurring increased energy efficiency; Discussion of the major barriers to expanding energy efficiency programs; evaluation of the economic impacts of energy efficiency; discussion of the history of electric utility energy efficiency efforts; analysis of the impact of energy efficiency on utility profits and methods for protecting profitability; Discussion of non-utility management of energy efficiency programs; evaluation of major methods to spur energy efficiency - systems benefit charges, resource planning, and resource standards; and, analysis of the alternatives for encouraging customer participation in energy efficiency programs.

  20. Avian utilization of subsidence wetlands

    SciTech Connect

    Nawrot, J.R.; Conley, P.S.; Smout, C.L.

    1995-09-01

    Diverse and productive wetlands have resulted from coal mining in the midwest. The trend from surface to underground mining has increased the potential for subsidence. Planned subsidence of longwall mining areas provides increased opportunities for wetland habitat establishment. Planned subsidence over a 180 meter (590 foot) deep longwall mine in southern Illinois during 1984 to 1986 produced three subsidence wetlands totaling 15 hectares (38 acres). The resulting palustrine emergent wetlands enhanced habitat diversity within the surrounding palustrine forested unsubsided area. Habitat assessments and evaluations of avian utilization of the subsidence wetlands were conducted during February 1990 through October 1991. Avian utilization was greatest within the subsided wetlands. Fifty-three bird species representing seven foraging guilds utilized the subsidence wetlands. Wading/fishing, dabbling waterfowl, and insectivorous avian guilds dominated the subsidence wetlands. The subsidence wetlands represented ideal habitat for wood ducks and great blue herons which utilized snags adjacent to and within the wetlands for nesting (19 great blue heron nests produced 25 young). Dense cover and a rich supply of macroinvertebrates provide excellent brood habitat for wood ducks, while herpetofauna and ichthyofauna provided abundant forage in shallow water zones for great blue herons and other wetland wading birds. The diversity of game and non-game avifauna utilizing the subsidence areas demonstrated the unique value of these wetlands. Preplanned subsidence wetlands can help mitigate loss of wetland habitats in the midwest.

  1. Utilization of plasmas for graphene synthesis

    NASA Astrophysics Data System (ADS)

    Shashurin, Alexey; Keidar, Michael

    2013-10-01

    Graphene is a one-atom-thick planar sheet of carbon atoms that are densely packed in a honeycomb crystal lattice. Grapheen has tremendous range of potential applications ranging from high-speed transistors to electrochemical energy storage devices and biochemical sensors. Methods of graphene synthesis include mechanical exfoliation, epitaxial growth on SiC, CVD and colloidal suspensions. In this work the utilization of plasmas in synthesis process is considered. Types of carbonaceous structures produced by the anodic arc and regions of their synthesis were studied. Ultimate role of substrate temperature and transformations occurring with various carbonaceous structures generated in plasma discharge were considered. Formation of graphene film on copper substrate was detected at temperatures around the copper melting point. The film was consisted of several layers graphene flakes having typical sizes of about 200 nm. Time required for crystallization of graphene on externally heated substrates was determined. This work was supported by National Science Foundation (NSF Grant No. CBET-1249213).

  2. Utilization of plasmas for graphene synthesis

    NASA Astrophysics Data System (ADS)

    Keidar, Michael; Shashurin, Alexey

    2014-10-01

    Graphene is a one-atom-thick planar sheet of carbon atoms that are densely packed in a honeycomb crystal lattice. Graphene has tremendous range of potential applications ranging from high-speed transistors to electrochemical energy storage devices and biochemical sensors. Methods of graphene synthesis include mechanical exfoliation, epitaxial growth on SiC, CVD and colloidal suspensions. In this work the utilization of plasmas in synthesis process is considered. Types of carbonaceous structures produced by the anodic arc and regions of their synthesis were studied. Ultimate role of substrate temperature and transformations occurring with various carbonaceous structures generated in plasma discharge were considered. Synthesis of well-adhered graphene films on the various substrate materials with controllable flake thickness down to about 2 layers was demonstrated. Optimal synthesis conditions were analyzed. This work was supported by National Science Foundation (NSF Grant No. CBET-1249213).

  3. Renewable energy and utility regulation

    SciTech Connect

    Not Available

    1991-04-10

    This report summarizes the results of a joint project on renewable energy of the National Association of Regulatory Utility Commissioners (NARUC) and the US DOE. NARUC'S Task Force on Renewable Energy conducted a review of the current state of renewable energy technologies to evaluate their potential and extract key policy lessons from experience already gained in deployment of these technologies in numerous states. The main focus of this effort has been to clarify how utility regulators affect the development of renewable energy resources. The goal of the project was twofold: (1) identify the factors that have led to success or failure or renewable energy technologies in various energy markets, and (2) to develop an agenda on renewable energy and utility regulation for NARUC and the DOE. This report consists of three sections: renewable energy contributions, costs and potential; factors affecting development of renewable energy resources; and a renewable energy agenda for NARUC.

  4. Renewable energy and utility regulation

    SciTech Connect

    Not Available

    1991-04-10

    This report summarizes the results of a joint project on renewable energy of the National Association of Regulatory Utility Commissioners (NARUC) and the US DOE. NARUC`S Task Force on Renewable Energy conducted a review of the current state of renewable energy technologies to evaluate their potential and extract key policy lessons from experience already gained in deployment of these technologies in numerous states. The main focus of this effort has been to clarify how utility regulators affect the development of renewable energy resources. The goal of the project was twofold: (1) identify the factors that have led to success or failure or renewable energy technologies in various energy markets, and (2) to develop an agenda on renewable energy and utility regulation for NARUC and the DOE. This report consists of three sections: renewable energy contributions, costs and potential; factors affecting development of renewable energy resources; and a renewable energy agenda for NARUC.

  5. Ethanolamine utilization in Vibrio alginolyticus

    PubMed Central

    2012-01-01

    Abstract Ethanolamine is used as an energy source by phylogenetically diverse bacteria including pathogens, by the concerted action of proteins from the eut-operon. Previous studies have revealed the presence of eutBC genes encoding ethanolamine-ammonia lyase, a key enzyme that breaks ethanolamine into acetaldehyde and ammonia, in about 100 bacterial genomes including members of gamma-proteobacteria. However, ethanolamine utilization has not been reported for any member of the Vibrio genus. Our comparative genomics study reveals the presence of genes that are involved in ethanolamine utilization in several Vibrio species. Using Vibrio alginolyticus as a model system we demonstrate that ethanolamine is better utilized as a nitrogen source than as a carbon source. Reviewers This article was reviewed by Dr. Lakshminarayan Iyer and Dr. Vivek Anantharaman (nominated by Dr. L Aravind). PMID:23234435

  6. Identifying Chelators for Metalloprotein Inhibitors Using a Fragment-Based Approach

    PubMed Central

    Jacobsen, Jennifer A.; Fullagar, Jessica; Miller, Melissa T.; Cohen, Seth M.

    2011-01-01

    Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29–43% for five matrix metalloproteases (MMPs), 24% for anthrax lethal factor (LF), 49% for 5-lipoxygenase (5-LO), and 60% for tyrosinase (TY). The ligand efficiencies (LE) of the fragment hits are excellent, in the range of 0.4–0.8 kcal/mol. The MMP enzymes all generally elicit the same chelators as hits from CFL-1.1; however, the chelator fragments that inhibit structurally unrelated metalloenzymes (LF, 5-LO, TY) vary considerably. To develop more advanced hits, one hit from CFL-1.1, 8-hydroxyquinoline, was elaborated at four different positions around the ring system to generate new fragments. 8-Hydroxyquinoline fragments substituted at either the 5- or 7-positions gave potent hits against MMP-2, with IC50 values in the low micromolar range. The 8-hydroxyquinoline represents a promising, new chelator scaffold for the development of MMP inhibitors that was discovered by use of a metalloprotein-focused chelator fragment library. PMID:21189019

  7. Cpp Utility - Version 1.0

    SciTech Connect

    2014-09-08

    A collection of general Umbra modules that are reused by other Umbra libraries. These capabilities include line segments, file utilities, color utilities, string utilities (for std::string), list utilities (for std ::vector ), bounding box intersections, range limiters, simple filters, cubic roots solvers and a few other utilities.

  8. Cpp Utility - Version 1.0

    Energy Science and Technology Software Center (ESTSC)

    2014-09-08

    A collection of general Umbra modules that are reused by other Umbra libraries. These capabilities include line segments, file utilities, color utilities, string utilities (for std::string), list utilities (for std ::vector ), bounding box intersections, range limiters, simple filters, cubic roots solvers and a few other utilities.

  9. Army utilities privatization - heating systems

    SciTech Connect

    1996-11-01

    The purpose of this paper is to present Army strategy for modernizing and improving the efficiency and reliability of providing utility services at our installations. The utilities infrastructure is old, inefficient and generally in fair to poor condition. Army installations of the 21st century will rely more heavily than ever before on the private sector to provide services that are not essential Army missions. Army utilities maintenance and repair (M&R) activities have historically not competed well for resources against other core missions. The funding for M&R has been less than one percent of the Plant Replacement Value. Total plant and distribution system modernization have been the rare exceptions. The installations find it increasingly more difficult to obtain the needed repair parts and services to keep operating. It is getting harder to staff operations with skilled employees. The environmental and safety requirements of the past 25 years have had adverse impacts on the installations ability to operate effectively. Our installations have used a variety of innovative means to keep their old systems operating. However, there has been no central Army direction to the installations on any preferred course of action - till now. The Army has determined that private sector participation in all phases of the utility (gas, electric, water, waste water and heating) systems is essential to meet mission requirements on a reliable basis. We already contract for a large number and type of services required at the installations. One out of four installations contracts with local municipal or investor owned utilities for water supply and sewage disposal. An even greater number contract out their solid waste collection and disposal. Installations have always purchased their wholesale electrical and natural gas energy from utility companies.

  10. Competition and utility financial risks

    SciTech Connect

    Studness, C.M.

    1993-07-01

    While competition for electric utilities has grown steadily for over a decade, the inroads have been small. Utilities have lost load by being forced to buy power from cogenerators. They have foregone some of their normal growth by choosing to buy power from independent power producers instead of building generating facilities themselves. They have absorbed earnings erosion by giving discounts to large industrial customers to avoid having them move production outside their service areas. Yet although competition in these areas can be expected to intensity, the real financial risk for utilities lies on other fronts, principally direct price competition. The type of competition experienced thus far will constrain utility financial progress, but utilities will no doubt find ways to mitigate its impact, an example being investment in demand-side management (DSM) programs. Direct price competition, on the other hand, offers few if any avenues of escape, and it is only a matter of time before the barriers that prevent it are removed. One of the largest is the prohibition of retail wheeling, which is the principal source of price protection for utilities. Significantly, over the course of the last year the prohibition of retail wheeling has been transformed from an untouchable issue into the central issue in the struggle over competition. Price competition, when it develops, will be driven by the cost of producing electric power with new generating facilities and whatever excess generating capacity exists in the industry. How important price competition becomes will depend on what customers want. If low-cost power turns out to be a top priority, price competition will be a very important part of the competitive picture. The experience of industries that have been deregulated, such as the airlines, suggests that low prices will have a high priority.

  11. Utilities` business plans include outsourcing

    SciTech Connect

    1995-11-01

    A panel discussion on the benefits and drawbacks of outsourcing information system functions and telecommunications operations drew much interest at the UTC (the Telecommunications Association) Annual Conference and Exhibition, held here in late summer. A panel, consisting of executives from utilities that have outsourced these services discussed this controversial business management trend. {open_quotes}Outsourcing decisions should be a balance between corporate functional requirements and cost reduction,{close_quotes} said panelist Richard Kubica, Northeast Utilities Service Co.`s manager of network planning and engineering.

  12. Developing technologies for coal utilization

    NASA Astrophysics Data System (ADS)

    Penner, S. S.

    The utilization of coal slurries in place of oil in utility and industrial boilers; the development of improved atmospheric and pressurized fluidized bed combustors; the designs of integrated combined cycle systems; and coal gasification and liquefaction to augment supplies of natural gas and liquid fuels, respectively are discussed. The worldwide coal resource base is so large that the necessity to manufacture liquid fuels from coals must be realized. An initiative proposed by the International Energy Agency defines several specific direct coal liquefaction designs and sites where direct coal liquefaction may be implemented.

  13. Merging utilities handle disparate EMSs

    SciTech Connect

    1995-08-01

    When two utilities merge, a major aim of the merger is to improve overall system efficiency. When Gulf States Utilities Co (GSU) and Entergy Corp became one company on Jan 1, 1994, they had already taken a giant step towards improving efficiency by consolidating their energy management systems (EMS). When merger talks started, both companies had advanced EMS, but the systems were not compatible and could not fully communicate with each other. The solution to that problem was key to setting the stage for improving combined system operations into the future. This paper describes the EMS systems before and after the merger along with planned upgrades in the future. 3 figs.

  14. Utility Energy Services Contracts: Enabling Documents

    SciTech Connect

    2009-05-01

    Utility Energy Services Contracts: Enabling Documents provides materials that clarify the authority for Federal agencies to enter into utility energy services contracts (UESCs), as well as sample documents and resources to ease utility partnership contracting.

  15. Analytical Utility of Campylobacter Methodologies

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The National Advisory Committee on Microbiological Criteria for Foods (NACMCF, or the Committee) was asked to address the analytical utility of Campylobacter methodologies in preparation for an upcoming United States Food Safety and Inspection Service (FSIS) baseline study to enumerate Campylobacter...

  16. TWRS LDUA utilization study report

    SciTech Connect

    Rieck, R.H.

    1994-09-01

    Tank Waste Remediation Systems functional requirements were reviewed. The Light Duty Utility Arm capabilities were considered as a means to support completion of these functional requirements. The recommendation is made to continue to develop the LDUA, integrating TWRS functional needs into the design to better support completion of TWRS mission needs.

  17. LLNL E-Mail Utilities

    Energy Science and Technology Software Center (ESTSC)

    2005-10-31

    The LLNL E-mail Utilities software library is a Java API that simplifies the creation and delivery of email in Java business applications. It consists of a database-driven template engine, various strategies for composing, queuing, dispatching email and a Java Swing GUI for creating and editing email templates.

  18. Zymomonas with improved xylose utilization

    DOEpatents

    Viitanen, Paul V. (West Chester, PA); Tao, Luan (Havertown, PA); Zhang, Yuying (New Hope, PA); Caimi, Perry G. (Kennett Square, PA); McCutchen, Carol M. (Wilmington, DE); McCole, Laura (East Fallowfield, PA); Zhang, Min (Lakewood, CO); Chou, Yat-Chen (Lakewood, CO); Franden, Mary Ann (Centennial, CO)

    2011-08-16

    Strains of Zymomonas were engineered by introducing a chimeric xylose isomerase gene that contains a mutant promoter of the Z. mobilis glyceraldehyde-3-phosphate dehydrogenase gene. The promoter directs increased expression of xylose isomerase, and when the strain is in addition engineered for expression of xylulokinase, transaldolase and transketolase, improved utilization of xylose is obtained.

  19. Limits to Wind Power Utilization.

    ERIC Educational Resources Information Center

    Gustavson, M. R.

    1979-01-01

    Discusses noneconomic factors limiting the total power that can be extracted from the wind. These factors are examined with a macroscopic approach. Some general conclusions are also reached regarding the sites that would have to be utilized and the usable wind energy potentials. (HM)

  20. Does regulation tilt toward utilities?

    SciTech Connect

    Lazare, P.

    1999-11-01

    Conventional wisdom says that electric utility regulation favors neither utilities nor consumers, but, instead, advances the interests of society. This optimistic view of the process is challenged by more jaded observers who contend that regulation tilts toward certain powerful market players, specifically the firms being regulated. While the debate has ebbed and flowed over the years, recent industry event offer a fresh perspective on this issue. Those events concern the emergence of stranded costs as a significant problem for the electricity market. These stranded costs are evidence that the regulatory process does, indeed, tilt toward the regulated firm. The existence of these costs demonstrates that regulators have allowed utilities to recover more than their fair share of costs from ratepayers. Furthermore, the recovery of stranded costs from ratepayers shows that the regulatory process protects utility interests. This concept of a tilt toward the regulated firm is not new, having been presented by a number of economists over the years. Perhaps the most noted proponent of this view is George Stigler, who states, Regulation may be actively sought or it may be thrust upon the regulated industry. A central thesis of this paper is that, as a rule, regulation is acquired by industry and is designed and operated primarily for its benefit. These perspective provides the starting point for the analysis to follow, which will examine the relevance of Stigler's argument to an electricity industry that is grappling with the problem of stranded costs.

  1. Space Utilization, University of Washington.

    ERIC Educational Resources Information Center

    Washington Univ., Seattle. Facilities Planning and Construction Section.

    Results are presented from a study of classroom and class laboratory space utilization at the University of Washington. The report is limited to space used for direct instruction in regularly scheduled classes in all disciplines except medicine, dentistry, and nursing; classes given during the day and evening are included. It does not include

  2. Solar energy storage and utilization

    NASA Technical Reports Server (NTRS)

    Yuan, S. W.; Bloom, A. M.

    1976-01-01

    A method of storing solar energy in the ground for heating residential buildings is described. The method would utilize heat exchanger pipes with a circulating fluid to transfer the energy beneath the surface as well as to extract the stored energy.

  3. Administrative Utility Analysis: Study Summary.

    ERIC Educational Resources Information Center

    Peat, Marwick, Mitchell and Co., San Juan, Puerto Rico.

    This document summarizes the recommendations made as a result of a study on administrative utility analysis and vocational education programs for Puerto Rico. The major recommendation was that the Area of Vocational and Technical Education (AVTE) in the Puerto Rico Department of Education be restructured at the central organizational level, for…

  4. Floppy disk utility user's guide

    NASA Technical Reports Server (NTRS)

    Akers, J. W.

    1980-01-01

    A floppy disk utility program is described which transfers programs between files on a hard disk and floppy disk. It also copies the data on one floppy disk onto another floppy disk and compares the data. The program operates on the Data General NOVA-4X under the Real Time Disk Operating System. Sample operations are given.

  5. Floppy disk utility user's guide

    NASA Technical Reports Server (NTRS)

    Akers, J. W.

    1981-01-01

    The Floppy Disk Utility Program transfers programs between files on the hard disk and floppy disk. It also copies the data on one floppy disk onto another floppy disk and compares the data. The program operates on the Data General NOVA-4X under the Real Time Disk Operating System (RDOS).

  6. Communicating and Utilizing Poverty Research.

    ERIC Educational Resources Information Center

    Health and Welfare Council of the National Capital Area, Washington, DC.

    This summary report describes CROSS-TELL, a 2-year project to demonstrate ways of communicating and utilizing research findings on the urban poor. These findings, derived from the earlier "Child Rearing Study of Low Income Families in the District of Columbia" (CRS), were disseminated to educators, social workers, and other professionals for whom

  7. Vibration analysis utilizing Mossbauer effect

    NASA Technical Reports Server (NTRS)

    Roughton, N. A.

    1967-01-01

    Measuring instrument analyzes mechanical vibrations in transducers at amplitudes in the range of a few to 100 angstroms. This instrument utilizes the Mossbauer effect, the phenomenon of the recoil-free emission and resonant absorption of nuclear gamma rays in solids.

  8. Road map for utility diversification

    SciTech Connect

    Lewis, J.D.; Ross, W.W.

    1982-12-23

    Under a growing impetus to shift their business emphasis, utility companies can find the road to diversification rife with problems and uncertainties. Studies of possible new business opportunities come relatively easy, but success in embarking upon them is anything but easy. This article provides useful insights into the process, and points out some important prerequisites for successful diversification efforts. 17 references, 2 figures.

  9. Wind energy utilization: A bibliography

    NASA Technical Reports Server (NTRS)

    1975-01-01

    Bibliography cites documents published to and including 1974 with abstracts and references, and is indexed by topic, author, organization, title, and keywords. Topics include: Wind Energy Potential and Economic Feasibility, Utilization, Wind Power Plants and Generators, Wind Machines, Wind Data and Properties, Energy Storage, and related topics.

  10. Space Station Freedom Utilization Conference

    NASA Technical Reports Server (NTRS)

    1992-01-01

    The topics addressed in Space Station Freedom Utilization Conference are: (1) space station freedom overview and research capabilities; (2) space station freedom research plans and opportunities; (3) life sciences research on space station freedom; (4) technology research on space station freedom; (5) microgravity research and biotechnology on space station freedom; and (6) closing plenary.

  11. Evaluating the Research Utilization Specialist

    ERIC Educational Resources Information Center

    Glaser, Edward M.; Backer, Thomas E.

    1975-01-01

    From June 1972 through June 1975, the authors conducted an evaluation of the National Research Utilization Specialists (RUS) Demonstration Program. This five-year program installed an RUS in nine state vocational rehabilitation agencies to test the value of this innovative job function for getting new knowledge put to practical use. (Author)

  12. Men are grass: Bateson, Erickson, utilization and metaphor.

    PubMed

    Roffman, Andrew E

    2008-01-01

    The relationship between metaphor and the practice of utilization in therapy and hypnosis can be seen as dependent on metaphor's role in structuring experience. The work of Gregory Bateson and others is used to illustrate how metaphor functions. Bateson's comparison of two forms of syllogistic logic provides a background for distinguishing between the experiential effects of metaphor in contrast to the categorical thinking inherent in simile and analogy. Clinical examples are given to demonstrate how utilization is structured by metaphor, particularly as Bateson has described it in his analysis of the Syllogism in Grass. PMID:18246856

  13. Recovery and Utilization of Extraterrestrial Resources

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This special bibliography includes the extraction, processing, and utilization of lunar, planetary, and asteroid resources; mining and excavation equipment, oxygen and propellant production; and in situ resource utilization.

  14. Composite isogrid structures for parabolic surfaces

    NASA Technical Reports Server (NTRS)

    Silverman, Edward M. (Inventor); Boyd, Jr., William E. (Inventor); Rhodes, Marvin D. (Inventor); Dyer, Jack E. (Inventor)

    2000-01-01

    The invention relates to high stiffness parabolic structures utilizing integral reinforced grids. The parabolic structures implement the use of isogrid structures which incorporate unique and efficient orthotropic patterns for efficient stiffness and structural stability.

  15. Power Sales to Electric Utilities

    SciTech Connect

    1989-02-01

    The Public Utilities Regulatory Policies Act (PURPA) of 1979 requires that electrical utilities interconnect with qualifying facilities and purchase electricity at a rate based upon their full avoided costs (i.e., costs of providing both capacity and energy). Qualifying facilities (QF) include solar or geothermal electric units, hydropower, municipal solid waste or biomass-fired power plants, and cogeneration projects that satisfy maximum size, fuel use, ownership, location, and/or efficiency criteria. In Washington State, neither standard power purchase prices based upon a proxy ''avoided plant'', standard contracts, or a standard offer process have been used. Instead, a variety of power purchase contracts have been negotiated by developers of qualifying facilities with investor-owned utilities, public utility districts, and municipally-owned and operated utilities. With a hydro-based system, benefits associated with resource acquisition are determined in large part by how compatible the resource is with a utility's existing generation mix. Power purchase rates are negotiated and vary according to firm energy production, guarantees, ability to schedule maintenance or downtime, rights of refusal, power plant purchase options, project start date and length of contract; front-loading or levelization provisions; and the ability of the project to provide ''demonstrated'' capacity. Legislation was also enacted which allows PURPA to work effectively. Initial laws established ownership rights and provided irrigation districts, PUDs, and municipalities with expanded enabling powers. Financial processes were streamlined and, in some cases, simplified. Finally, laws were passed which are designed to ensure that development proceeds in an environmentally acceptable manner. In retrospect, PURPA has worked well within Washington. In the state of Washington, 20 small-scale hydroelectric projects with a combined generating capacity of 77 MW, 3 solid waste-to-energy facilities with 55 MW of electrical output, 4 cogeneration projects with 34.5 MW of generating capability, and 4 wastewater treatment facility digester gas-to-energy projects with 5 MW of electrical production have come on-line (or are in the final stages of construction) since the passage of PURPA. These numbers represent only a small portion of Washington's untapped and underutilized cogeneration and renewable resource generating potentials. [DJE-2005

  16. Japanese plan for SSF utilization

    NASA Technical Reports Server (NTRS)

    Mizuno, Toshio

    1992-01-01

    The Japanese Experiment Module (JEM) program has made significant progress. The JEM preliminary design review was completed in July 1992; construction of JEM operation facilities has begun; and the micro-G airplane, drop shaft, and micro-G experiment rocket are all operational. The national policy for JEM utilization was also established. The Space Experiment Laboratory (SEL) opened in June '92 and will function as a user support center. Eight JEM multiuser facilities are in phase B, and scientific requirements are being defined for 17 candidate multiuser facilities. The National Joint Research Program is about to start. Precursor missions and early Space Station utilization activities are being defined. This paper summarizes the program in outline and graphic form.

  17. Simplified brain slice glucose utilization.

    PubMed

    Newman, G C; Hospod, F E; Maghsoudlou, B; Patlak, C S

    1996-09-01

    Brain slice glucose utilization (SGU) can be measured by methods analogous to those used for in vivo cerebral glucose utilization. In order to make this technique more accessible and applicable to a broad range of experimental conditions, we have derived a simplified operational rate equation and generated the table of apparent rate coefficients necessary to apply the equation under different experimental situations. Calculations of the apparent rate coefficients were based upon an eight-parameter kinetic model combined with Michaelis-Menten theory to account for changes in the rate constants as a function of buffer glucose concentration. The theory was tested with a series of experiments using rat brain slices. [14C]-2-deoxyglucose (2DG) and [14C]-3-O-methylglucose (3OMG). The errors involved in the simplified technique were estimated by a variety of techniques and found to be acceptable over a broad range of conditions. A detailed, practical protocol for the simplified method is presented. PMID:8784231

  18. Utilization of the terrestrial cyanobacteria

    NASA Astrophysics Data System (ADS)

    Katoh, Hiroshi; Tomita-Yokotani, Kaori; Furukawa, Jun; Kimura, Shunta; Yokoshima, Mika; Yamaguchi, Yuji; Takenaka, Hiroyuki

    The terrestrial, N _{2}-fixing cyanobacterium, Nostoc commune has expected to utilize for agriculture, food and terraforming cause of its extracellular polysaccharide, desiccation tolerance and nitrogen fixation. Previously, the first author indicated that desiccation related genes were analyzed and the suggested that the genes were related to nitrogen fixation and metabolisms. In this report, we suggest possibility of agriculture, using the cyanobacterium. Further, we also found radioactive compounds accumulated N. commune (cyanobacterium) in Fukushima, Japan after nuclear accident. Thus, it is investigated to decontaminate radioactive compounds from the surface soil by the cyanobacterium and showed to accumulate radioactive compounds using the cyanobacterium. We will discuss utilization of terrestrial cyanobacteria under closed environment. Keyword: Desiccation, terrestrial cyanobacteria, bioremediation, agriculture

  19. Utilities systems management - Flying demonstrator

    NASA Astrophysics Data System (ADS)

    Moir, I.; Capener, P. H.

    The design and operation of the utilities systems management (USM) hardware developed for the UK Experimental Aircraft Program (EAP) demonstrator are presented in extensive drawings and diagrams and briefly characterized. The USM links the basic aircraft systems (fuel, engine, environmental control, secondary power, hydraulics, etc.) to the avionics or mission bus. It comprises a dedicated MIL-STD-1553B bus, distributed data-acquisition units with local processing and control, an integrated power control, and interfaces with the multifunction displays of the digital cockpit. The overall operation of the USM is outlined; and the system implementation and packaging are discussed. Particular attention is given to the use of relays (rather than solid-state devices) for discrete power switching. When compared to conventional utilities control systems, the USM is shown to provide weight and operating-cost savings of over 50 percent and an eightfold improvement in availability.

  20. Upper stages utilizing electric propulsion

    NASA Technical Reports Server (NTRS)

    Byers, D. C.

    1980-01-01

    The payload characteristics of geocentric missions which utilize electron bombardment ion thruster systems are discussed. A baseline LEO to GEO orbit transfer mission was selected to describe the payload capabilities. The impacts on payloads of both mission parameters and electric propulsion technology options were evaluated. The characteristics of the electric propulsion thrust system and the power requirements were specified in order to predict payload mass. This was completed by utilizing a previously developed methodology which provides a detailed thrust system description after the final mass on orbit, the thrusting time, and the specific impulse are specified. The impact on payloads of total mass in LEO, thrusting time, propellant type, specific impulse, and power source characteristics was evaluated.

  1. Purdue Solar Energy Utilization Laboratory

    SciTech Connect

    Agrawal, Rakesh

    2014-01-21

    The objective of this project is to establish and set-up a laboratory that will facilitate research and development of new low-cost and high-efficiency solar energy utilization technologies at Purdue University. The outcome will help spur the creation of solar energy start-up companies and eventually a solar energy industry in Indiana that can help fulfill the growing national demand for solar energy.

  2. Microorganism Utilization for Synthetic Milk

    NASA Technical Reports Server (NTRS)

    Morford, Megan A.; Khodadad, Christina L.; Caro, Janicce I.; Spencer, LaShelle E.; Richards, Jeffery T.; Strayer, Richard F.; Birmele, Michele N.; Wheeler, Raymond M.

    2014-01-01

    A desired architecture for long duration spaceflight, like aboard the International Space Station or for future missions to Mars, is to provide a supply of fresh food crops for the astronauts. However, some crops can create a high proportion of inedible plant waste. The main goal of the Synthetic Biology project, Cow in a Column, was to produce the components of milk (sugar, lipid, protein) from inedible plant waste by utilizing microorganisms (fungi, yeast, bacteria). Of particular interest was utilizing the valuable polysaccharide, cellulose, found in plant waste, to naturally fuel-through microorganism cellular metabolism- the creation of sugar (glucose), lipid (milk fat), and protein (casein) in order to produce a synthetic edible food product. Environmental conditions such as pH, temperature, carbon source, aeration, and choice microorganisms were optimized in the laboratory and the desired end-products, sugars and lipids, were analyzed. Trichoderma reesei, a known cellulolytic fungus, was utilized to drive the production of glucose, with the intent that the produced glucose would serve as the carbon source for milk fat production and be a substitute for the milk sugar lactose. Lipid production would be carried out by Rhodosporidium toruloides, yeast known to accumulate those lipids that are typically found in milk fat. Results showed that glucose and total lipid content were below what was expected during this phase of experimentation. In addition, individual analysis of six fatty acids revealed that the percentage of each fatty acid was lower than naturally produced bovine milk. Overall, this research indicates that microorganisms could be utilized to breakdown inedible solid waste to produce useable products. For future work, the production of the casein protein for milk would require the development of a genetically modified organism, which was beyond the scope of the original project. Additional trials would be needed to further refine the required environment/organisms for the production of desired sugar and lipid end-products.

  3. Alternative scenarios utilizing nonterrestrial resources

    NASA Astrophysics Data System (ADS)

    Eldred, Charles H.; Roberts, Barney B.

    A collection of alternative scenarios that are enabled or substantially enhanced by the utilization of nonterrestrial resources is provided. We take a generalized approach to scenario building so that our report will have value in the context of whatever goals are eventually chosen. Some of the topics covered include the following: lunar materials processing; asteroid mining; lunar resources; construction of a large solar power station; solar dynamic power for the space station; reduced gravity; mission characteristics and options; and tourism.

  4. Rig activity strengthening, utilization high

    SciTech Connect

    Rappold, K.

    1996-09-23

    Strong, stable gas prices have increased demand for offshore rigs worldwide. Several regions have been 100% utilization rates for both jack ups and semisubmersibles. Onshore markets have also improved because of increased gas drilling, but in the US the number of contractors continues to dwindle. The paper gives data on the worldwide demand for jackups and semisubmersibles, US drilling rigs, directional and horizontal drilling activity, rig replacement costs, and new construction.

  5. Alternative scenarios utilizing nonterrestrial resources

    NASA Technical Reports Server (NTRS)

    Eldred, Charles H.; Roberts, Barney B.

    1992-01-01

    A collection of alternative scenarios that are enabled or substantially enhanced by the utilization of nonterrestrial resources is provided. We take a generalized approach to scenario building so that our report will have value in the context of whatever goals are eventually chosen. Some of the topics covered include the following: lunar materials processing; asteroid mining; lunar resources; construction of a large solar power station; solar dynamic power for the space station; reduced gravity; mission characteristics and options; and tourism.

  6. Electric utility system master plan

    SciTech Connect

    Erickson, O.M.

    1992-10-01

    This publication contains the electric utility system plan and guidelines for providing adequate electric power to the various facilities of Lawrence Livermore National Laboratory in support of the mission of the Laboratory. The topics of the publication include general information on the current systems and their operation, a planning analysis for current and future growth in energy demand, proposed improvements and expansions required to meet long range site development and the site`s five-year plan.

  7. Utility competition and residential customers

    SciTech Connect

    Studness, C.M.

    1994-11-01

    Residential customers have found themselves either ignored or ill-used by the major participants in the struggle over utility competition. No group is seeking to secure them the benefits of competition, and those who oppose competition have curried their favor by conjuring up misleading horror stories about how competition would harm them. Yet residential customers ultimately stand to gain as much from competition as larger customers.

  8. The regulation of public utilities

    SciTech Connect

    Phillips, C.F.

    1988-01-01

    This book includes discussions of the determinants of market structure, limitations on government regulation, federal-state jurisdictional controversies, the regulation of accounting practices, legal and economic concepts of property valuation, criteria of a sound rate structure, cost of capital standards, and rate structures in practice. In addition, the author examines regulation as a substitute for competition and explores the need for regulatory policy review.

  9. 77 FR 46987 - Utility Allowances Submetering

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-07

    ...This document contains proposed regulations that amend the utility allowance regulations concerning the low-income housing tax credit. The proposed regulations update the utility allowance regulations to clarify that utility costs paid by a tenant based on actual consumption in a submetered rent-restricted unit are treated as paid by the tenant directly to the utility company. The proposed......

  10. Elevated glucose utilization in the subfornical organ during dehydration.

    PubMed

    Kadekaro, M; Gross, P M

    1985-07-01

    We review results from several rat models of dehydration in which increases in the rate of glucose utilization were found in the subfornical organ and in other cerebral structures participating in the regulation of thirst and fluid balance. During chronic saline ingestion, the simplest model of dehydration involving only plasma hypertonicity, glucose utilization in the subfornical organ was normal. In water-sated homozygous Brattleboro rats, in which plasma osmolality and levels of angiotensin II are increased, glucose metabolism in the subfornical organ was 44% higher than in water-sated Long-Evans rats. In a complex model of dehydration, chronic water deprivation which is associated with high levels of plasma osmolality, angiotensin II, and baroreceptor disinhibition, there was a 72% increase in subfornical organ glucose utilization. The results suggest that angiotensin II is an important stimulant of metabolism in the subfornical organ, and that converging stimuli have a synergistic effect on metabolic activity in this structure. PMID:3896414

  11. Commercial opportunities utilizing the International Space Station

    NASA Astrophysics Data System (ADS)

    Kearney, Michael E.; Mongan, Phil; Overmyer, Carolyn M.; Jackson, Kenneth

    1998-01-01

    The International Space Station (ISS) has the unique capability of providing a low-g environment for both short- and long-duration experimentation. This environment can provide a unique and competitive research capability to industry; but until recently, utilization of this environment by the private sector has been limited if not totally unavailable. NASA has recently expressed an interest in the commercial development of space and this is now an integral part of the Agency's enabling legislation through the Space Act. NASA's objective is to foster the use of the space environment for the development of commercial products and processes. Through alliances and agreements with several commercial companies and universities, SPACEHAB, Inc., has built a comprehensive package of services designed to provide low-cost reliable access to space for experimenters. These services provide opportunities to support engineering test beds for materials exposure analysis, to mitigate structural failures as observed on the Hubble Space Telescope; materials processing, remote sensing; space environment definition; and electronic experiments. The intent of this paper is to identify commercial opportunities for utilizing the International Space Station and provide examples of several facilities currently being designed and manufactured by commercial companies with the purpose of providing access to the space environment for commercial users.

  12. A Novel Biomedical Device Utilizing Light Emitting Nano-Structures

    NASA Technical Reports Server (NTRS)

    Varaljay, Vanessa A.

    2004-01-01

    This paper will discuss the development of a novel biomedical detection device that will be used to detect microorganisms with the use of infrared fluorochrome polymers attached to antibodies in fluids such as water. The fluorochrome polymers emit light in the near inferred region (NIR), approximately 805 nm, when excited by an NIR laser at 778 nm. The device could remarkably change the way laboratory testing is done today. The testing process is usually performed on a time scale of days while our device will be able to detect microorganisms in minutes. This type of time efficient analysis is ideal for use aboard the International Space Station and the Space Shuttle (ISS/SS) and has many useful commercial applications, for instance at a water treatment plant and food processing plants. With more research and experimentation the testing might also one day be used to detect bacteria and viruses in complex fluids such as blood, which would revolutionize blood analysis as it is performed today. My contribution to the project has been to develop a process which will allow an antibody/fluorescent dye pair to be conjugated to a specific bacteria or virus and than to to be separated from a sample body of water for detection. The antibody being used in this experiment is anti beta galactosidase and its complement enzyme is beta galactosidase, a non harmful derivative of E. Coli. The anti beta galactosidase has been conjugated to the fluorochrome polymer, IRDye800, which emits at approximately 806 nm. The dye when excited by the NIR laser emits a signal which is detected by a spectrometer and then is read by state of the art computer software. The state-of-the-art process includes incubating the anti beta galactosidase and beta galactosidase in a phosphate buffer solution in a test tube, allowing the antibody to bind to specific sites on the enzyme. After the antibody is bound to the enzyme, it is centrifuged in specific filters that will allow free antibody to wash away and leave the antibody-enzyme complexes on top in solution for testing and analysis. This solution is pipetted into a cuvette, a special plastic test tube, which will then be excited by the laser. The signal read will tell US that an antibody is present and since it is bound to the enzyme, that the bacteria is also present.

  13. Unpolarized nucleon structure studies utilizing polarized electromagnetic probes.

    SciTech Connect

    Arrington, J.; Physics

    2009-08-15

    By the mid-1980s, measurements of the nucleon form factors had reached a stage where only slow, incremental progress was possible using unpolarized electron scattering. The development of high quality polarized beams, polarized targets, and recoil polarimeters led to a renaissance in the experimental program. I provide an overview of the changes in the field in the last ten years, which were driven by the dramatically improved data made possible by a new family of tools to measure polarization observables.

  14. Utilization of fly ash in structural and decorative ceramic products

    SciTech Connect

    Hughes, R.E.; Dreher, G.B.; Rostam-Abadi, M.; Moore, D.M.; DeMaris, P.J.

    1996-10-01

    In this research, fly ash from coal combustion is used in fired-clay products such as bricks and related fired-clay products. Our research includes: (1) plant-scale tests of firing fly ash-brick clay mixtures; (2) laboratory-scale {open_quotes}optimization{close_quotes} of firing these mixtures; and (3) preliminary evaluations of the environmental and economic costs/benefits of ceramics made with fly ash, Bricks and feed materials were tested for compliance with market specifications and for leachability of pollutants. X-ray diffraction and chemical step-dissolution were used to determine the mineralogical composition of feed materials and products. By using mineral content, improved predictions of the firing of fly ash-clay mixtures will result. Also, estimates of coal ash fusion will improve, because testing methods and melting mechanisms for ceramics and coal ash are identical. This project could convert waste fly ash into a valuable resource.

  15. Utilization Deficiencies and Transfer of Strategies in Preschoolers

    ERIC Educational Resources Information Center

    Clerc, Jerome; Miller, Patricia H.

    2013-01-01

    Three studies examined whether strategy utilization deficiencies emerge during transfer to two tasks that differ superficially from the main task but have the same underlying structural logic. In Experiment 1, children aged 4, 4 1/2, and 5 spontaneously produced selective attention strategies (or were prompted to do so) on a selective memory task.

  16. Utility function estimation: The entropy approach

    NASA Astrophysics Data System (ADS)

    Dionisio, Andreia; Reis, A. Heitor; Coelho, Luis

    2008-06-01

    The maximum entropy principle can be used to assign utility values when only partial information is available about the decision makers preferences. In order to obtain such utility values it is necessary to establish an analogy between probability and utility through the notion of a utility density function. In this paper we explore the maximum entropy principle to estimate the utility function of a risk averse decision maker.

  17. Solvothermal synthesis of luminescent bis-(8 hydroxy quinoline) cadmium complex nanostructures

    NASA Astrophysics Data System (ADS)

    Khan, M. A.; Ahmed, Shafique; A, Majid; Arif Khan, Ayaz; Mahboobullah; Hashmi, Asghar; Iqbal, Tariq; Ahmed, Azhar; Ahmed, Nasar

    2014-06-01

    A facile solution- based route for the synthesis of Bis- (8- hydroxyquinoline) Cadmium (CdCh) complex nanorods, nanoflowers (bundles of nanorods) and nanosheets in an oleic acid- sodium oleate- ethanol- H2O system at 50C -100C was reported. Scanning Electron Microscope (SEM) images indicated that longer time and higher temperature would result in nanoflowers, while lower temperature and shorter reaction time would be suitable for the formation of nanorods. However, a novel change in these structures was observed when the concentration of the surfactant (oleic acid) was reduced and we obtained 2- D nanosheets. Fourier- transform infrared (FTIR) spectroscopy was utilized to confirm that the samples were made up of CdQ2. UV/ VIS spectroscopy was used to determine the different electronic transitions in CdQ2 molecule. All the samples possessed excellent photoluminescence (PL) properties. Photoluminescence (PL) spectra showed a prominent peak around 500 nm which indicated a strong PL emission in the green region. This methodology could be extended for the controlled, large- scale preparation of other functional complexes, and the obtained nanostructures could be introduced as the basic building blocks for novel optoelectronic devices.

  18. Rollover of Sport Utility Vehicles

    NASA Astrophysics Data System (ADS)

    Penny, Desmond N.

    2004-02-01

    Recently, the PBS program "Frontline" examined the history of the development of the sport utility vehicle (SUV) and the efforts to force car makers to design SUVs that are less prone to rollover. The dangers of SUV rollovers were spotlighted in the fall of 2000, when the Ford-Firestone scandal prompted Congress to launch a series of hearings focusing on deaths and injuries related to faulty Firestone tires mounted on Ford Explorers. However, during the same 10-year period in which Ford-Firestone rollover crashes caused some 300 deaths, more than 12,000 people 40 times as many died in SUV rollovers unrelated to tire failure.

  19. Microcirculatory oxygen transport and utilization.

    PubMed

    Hamlin, Shannan K; Parmley, C Lee; Hanneman, Sandra K

    2014-09-01

    The cardiovascular system (macrocirculation) circulates blood throughout the body, but the microcirculation is responsible for modifying tissue perfusion and adapting it to metabolic demand. Hemodynamic assessment and monitoring of the critically ill patient is typically focused on global measures of oxygen transport and utilization, which do not evaluate the status of the microcirculation. Despite achievement and maintenance of global hemodynamic and oxygenation goals, patients may develop microcirculatory dysfunction with associated organ failure. A thorough understanding of the microcirculatory system under physiologic conditions will assist the clinician in early recognition of microcirculatory dysfunction in impending and actual disease states. PMID:25169685

  20. Orbiter electrical equipment utilization baseline

    NASA Technical Reports Server (NTRS)

    1980-01-01

    The baseline for utilization of Orbiter electrical equipment in both electrical and Environmental Control and Life Support System (ECLSS) thermal analyses is established. It is a composite catalog of Space Shuttle equipment, as defined in the Shuttle Operational Data Book. The major functions and expected usage of each component type are described. Functional descriptions are designed to provide a fundamental understanding of the Orbiter electrical equipment, to insure correlation of equipment usage within nominal analyses, and to aid analysts in the formulation of off-nominal, contingency analyses.

  1. Orbiter utilization as an ACRV

    NASA Technical Reports Server (NTRS)

    Cruz, Jonathan N.; Heck, Michael L.; Kumar, Renjith R.; Mazanek, Daniel D.; Troutman, Patrick A.

    1990-01-01

    Assuming that a Shuttle Orbiter could be qualified to serve long duration missions attached to Space Station Freedom in the capacity as an Assured Crew Return Vehicle (ACRV), a study was conducted to identify and examine candidate attach locations. Baseline, modified hardware, and new hardware design configurations were considered. Dual simultaneous Orbiter docking accommodation were required. Resulting flight characteristics analyzed included torque equilibrium attitude (TEA), microgravity environment, attitude controllability, and reboost fuel requirements. The baseline Station could not accommodate two Orbiters. Modified hardware configurations analyzed had large TEA's. The utilization of an oblique docking mechanism best accommodated an Orbiter as an ACRV.

  2. Resource utilization during software development

    NASA Technical Reports Server (NTRS)

    Zelkowitz, Marvin V.

    1988-01-01

    This paper discusses resource utilization over the life cycle of software development and discusses the role that the current 'waterfall' model plays in the actual software life cycle. Software production in the NASA environment was analyzed to measure these differences. The data from 13 different projects were collected by the Software Engineering Laboratory at NASA Goddard Space Flight Center and analyzed for similarities and differences. The results indicate that the waterfall model is not very realistic in practice, and that as technology introduces further perturbations to this model with concepts like executable specifications, rapid prototyping, and wide-spectrum languages, we need to modify our model of this process.

  3. Perspectives on research reactor utilization

    NASA Astrophysics Data System (ADS)

    Dodd, Brian; Dolan, Thomas J.; Laraia, Michele; Ritchie, Iain

    2002-01-01

    The current state of research reactors around the world is summarized using information from the Research Reactor Database. Some current trends of research reactors in advanced and developing countries are described. The need for strategic planning is emphasized, and elements of a typical strategic plan are presented. The problems of reactor lifetime extension, nuclear fuel cycle issues, and decommissioning are briefly discussed. It is concluded that research reactors will continue to be vital elements of the nuclear infrastructures in many countries, and that the IAEA can help countries solve their problems of utilization, safety, lifetime extension, fuel cycle, and decommissioning.

  4. Solar energy research and utilization

    NASA Technical Reports Server (NTRS)

    Cherry, W. R.

    1974-01-01

    The role of solar energy is visualized in the heating and cooling of buildings, in the production of renewable gaseous, liquid and solid fuels, and in the production of electric power over the next 45 years. Potential impacts of solar energy on various energy markets, and estimated costs of such solar energy systems are discussed. Some typical solar energy utilization processes are described in detail. It is expected that at least 20% of the U.S. total energy requirements by 2020 will be delivered from solar energy.

  5. Environmental effects on feed utilization.

    PubMed

    Kaushik, S J

    1986-10-01

    Both external and internal factors affect the response of fish to variations in dietary quantity and quality. An attempt is made to review major, recent studies on the series of intermediate steps (intake, digestion, metabolism, excretion and retention) involved in the global response of fish to environmental changes. Among these external factors, greater attention is however devoted to those that are the most important natural effectors within the aquatic environment: temperature, ambient oxygen and salinity. The changes brought about by a change in temperature at different levels of nutrient utilization have been studied to a great extent in the recent past. As temperature affects in the first instance, the voluntary food intake, a discussion on current nutrient requirement data should preferably be dealt with in absolute terms. While critical levels of oxygen below which growth is hindered are sufficiently defined for many species, precise data on the direct effects of oxygen deficiency on nutrient utilization are still fragmentory. With regard to salinity, a distinction between stenohaline and euryhaline species and a knowledge of the physiological mechanisms corresponding to their life cycles are required before attempting comparative analyses. Within euryhaline species, best performances are noted at salinities isotonic to the internal medium. Despite accumulating evidence on the effects of cyclical phenomena, the chronobiological approach to fish culture remains practically unexplored. PMID:24233175

  6. Utilizing inheritance in requirements engineering

    NASA Technical Reports Server (NTRS)

    Kaindl, Hermann

    1994-01-01

    The scope of this paper is the utilization of inheritance for requirements specification, i.e., the tasks of analyzing and modeling the domain, as well as forming and defining requirements. Our approach and the tool supporting it are named RETH (Requirements Engineering Through Hypertext). Actually, RETH uses a combination of various technologies, including object-oriented approaches and artificial intelligence (in particular frames). We do not attempt to exclude or replace formal representations, but try to complement and provide means for gradually developing them. Among others, RETH has been applied in the CERN (Conseil Europeen pour la Rechereche Nucleaire) Cortex project. While it would be impossible to explain this project in detail here, it should be sufficient to know that it deals with a generic distributed control system. Since this project is not finished yet, it is difficult to state its size precisely. In order to give an idea, its final goal is to substitute the many existing similar control systems at CERN by this generic approach. Currently, RETH is also tested using real-world requirements for the Pastel Mission Planning System at ESOC in Darmstadt. First, we outline how hypertext is integrated into a frame system in our approach. Moreover, the usefulness of inheritance is demonstrated as performed by the tool RETH. We then summarize our experiences of utilizing inheritance in the Cortex project. Lastly, RETH will be related to existing work.

  7. Ethanolamine utilization in Salmonella typhimurium.

    PubMed Central

    Roof, D M; Roth, J R

    1988-01-01

    Ethanolamine can serve as the sole source of carbon and nitrogen for Salmonella typhimurium if vitamin B12 is present to serve as a cofactor. The pathway for ethanolamine utilization has been investigated in order to understand its regulation and determine whether the pathway is important to the selective forces that have maintained the ability to synthesize B12 in S. typhimurium. We isolated mutants that are defective in ethanolamine utilization (eut mutants). These mutants defined a cluster of genes located between purC and cysA at 50 min on the Salmonella chromosome. A genetic map of the eut region was constructed. Included in the map are mutations which affect ethanolamine ammonia lyase, the first degradative enzyme, and mutations which affect the second enzyme in the pathway, acetaldehyde dehydrogenase. Transcriptional regulation of the eut genes was studied by using eut-lac operon fusions created by insertion of Mu d lac. Transcription is induced by the simultaneous presence of ethanolamine and B12 in the growth medium. The eut genes constitute a single unit of transcription. One class of mutations located at the promoter-distal end of the eut operon prevent induction of transcription. PMID:3045078

  8. Hypertext Cross-Reference Utilities

    NASA Astrophysics Data System (ADS)

    Warren-Smith, R. F.; Draper, P. W.

    This document describes a set of ``Hypertext Cross-Reference Utilities'' (HTX) which are designed to help maintain large documentation sets whose constituent documents are written using the Hypertext Markup Languagee (HTML). The central part of HTX is a hypertext linker, hlink. This allows hyper-links (or cross-references) to be established between related documents in such a way that it is easy to maintain their integrity as individual documents are updated. Information produced by this linking process is also used by other HTX utilities to provide document search facilities and the ability to randomly access any part of a documentation set. This latter capability forms a basis for constructing hypertext help systems for use by other software. The expected readership of this document includes those who read hypertext documentation, those who write it, and those who maintain it, especially those who write and maintain Starlink documentation. Software developers may also be interested in the possibilities for hypertext help that HTX provides.

  9. Nitrogen Utilization in Lemna1

    PubMed Central

    Ingemarsson, Bjrn; Oscarson, Petter; af Ugglas, Magnus; Larsson, Carl-Magnus

    1987-01-01

    The effects of ammonium application on nitrate utilization were studied in N-limited cultures of Lemna gibba L. G3. Addition of ammonium instantaneously inhibited net nitrate uptake by at least 60%, followed by a slight recovery. The inhibition was equally clear after near-complete inactivation of glutamine synthetase by application of l-methionine-d,l-sulfoximine. Experiments where 13N-labeled nitrate was used as an influx tracer revealed that ammonium specifically inhibited influx, but did not promote nitrate efflux. Nitrate accumulation was relatively more inhibited than nitrate reduction and net uptake. Nitrate reductase, extracted and assayed in vitro in the presence of the thiol proteinase inhibitor leupeptin, was unaffected by short-term treatment of the plants with either nitrate, ammonium, or ammonium nitrate. Nitrate reductase activity recovered in the absence of leupeptin was considerably lower; however, it was enhanced by all the nitrogen sources, with ammonium as the most potent. It is argued that the effect of ammonium on nitrate utilization in Lemna is due to inhibition of nitrate influx, and that the effect should be attributed to ammonium itself, not to a newly formed nitrogen derivative. The decreased nitrate flux caused a decrease in nitrate reduction, whereas the activity of nitrate reductase per se rather is stabilized by presence of ammonium. PMID:16665792

  10. Chinese Manned Space Utility Project

    NASA Astrophysics Data System (ADS)

    Gu, Y.

    Since 1992 China has been carrying out a conspicuous manned space mission A utility project has been defined and created during the same period The Utility Project of the Chinese Manned Space Mission involves wide science areas such as earth observation life science micro-gravity fluid physics and material science astronomy space environment etc In the earth observation area it is focused on the changes of global environments and relevant exploration technologies A Middle Revolution Image Spectrometer and a Multi-model Micro-wave Remote Sensor have been developed The detectors for cirrostratus distribution solar constant earth emission budget earth-atmosphere ultra-violet spectrum and flux have been manufactured and tested All of above equipment was engaged in orbital experiments on-board the Shenzhou series spacecrafts Space life science biotechnologies and micro-gravity science were much concerned with the project A series of experiments has been made both in ground laboratories and spacecraft capsules The environmental effect in different biological bodies in space protein crystallization electrical cell-fusion animal cells cultural research on separation by using free-low electrophoresis a liquid drop Marangoni migration experiment under micro-gravity as well as a set of crystal growth and metal processing was successfully operated in space The Gamma-ray burst and high-energy emission from solar flares have been explored A set of particle detectors and a mass spectrometer measured

  11. Impacts of solar energy utilization

    NASA Technical Reports Server (NTRS)

    1973-01-01

    Various methods of conducting surveys and analyses to determine the attitude of the public toward the energy crisis are discussed. Models to determine the impact of the energy crisis and proposed alternative sources of energy on the social structure are analyzed. The various interest groups which are concerned with energy and the nature of their interest are identified. The government structure for controlling resource production and allocation is defined.

  12. Consumer's Guide to the economics of electric-utility ratemaking

    SciTech Connect

    Not Available

    1980-05-01

    This guide deals primarily with the economics of electric utilities, although certain legal and organizational aspects of utilities are discussed. Each of the seven chapters addresses a particular facet of public-utility ratemaking. Chapter One contains a discussion of the evolution of the public-utility concept, as well as the legal and economic justification for public utilities. The second chapter sets forth an analytical economic model which provides the basis for the next four chapters. These chapters contain a detailed examination of total operating costs, the rate base, the rate of return, and the rate structure. The final chapter discusses a number of current issues regarding electric utilities, mainly factors related to fuel-adjustment costs, advertising, taxes, construction work in progress, and lifeline rates. Some of the examples used in the Guide are from particular states, such as Illinois and California. These examples are used to illustrate specific points. Consumers in other states can generalize them to their states and not change the meaning or significance of the points. 27 references, 8 tables.

  13. Reinventing electric utilities: Competition, citizen action, and clean power

    SciTech Connect

    Smeloff, E.; Asmus, P.

    1996-12-01

    The authors consider the challenges for citizens and the utility industry in this new era of competition. Through an in-depth case study of the Sacramento Municipal Utility District (SMUD), a once-troubled utility that is now widely regarded as a model for energy efficiency and renewable energy development, they explore the changes that have occurred in the utility industry, and the implications of those changes for the future. The SMUD portrait is complemented by regional case studies of Portland General Electric and the Washington Public Power Supply System, the New England Electric Service, Northern States Power, the Electricity Reliability Council of Texas, and others that highlight the efforts of citizen groups and utilities to eliminate unproductive and environmentally damaging sources of power and to promote the use of new, cleaner energy technologies. The authors present and explain some of the fundamental principles that govern restructuring, while acknowledging that solutions will depend upon the unique resource needs, culture, and utility structure of each particular region.

  14. Beyond Fapar: Modeling Light Utilization in Tropical Forests

    NASA Astrophysics Data System (ADS)

    Morton, D. C.; Rubio, J.; Cook, B. D.; Gastellu-Etchegorry, J. P.; Keller, M. M.

    2014-12-01

    The complex three-dimensional (3D) structure of tropical forests generates a diversity of light environments for canopy and understory trees. Light availability in tropical forests is dynamic on diurnal and seasonal timescales based on variability in solar illumination and the fraction of diffuse radiation. The distribution of light availability ultimately controls light utilizationthe amount of absorbed photosynthetically active radiation (PAR) available for photosynthesis. Understanding the dynamics of light utilization is critical for interpreting measurements of net ecosystem exchange and improving ecosystem models. Here, we used the Discrete Anisotropic Radiative Transfer (DART) model to simulate 3D light profiles for a range of Amazon forest scenes. DART was initialized using small footprint airborne lidar data, and characteristics of each 3D simulation were constrained using local measurements of leaf properties, incident PAR, and atmospheric conditions. For each simulation, we separated the fraction of absorbed PAR (FAPAR) into light interactions with leaves, branches, and the ground surface. Leaf-absorbed PAR in each 1 m3 voxel was further constrained to account for light saturation effects. Under midday illumination conditions, most canopy leaves were saturated, leading to a reduction in light utilization (0.65 - 0.7) even as leaf-absorbed PAR remained nearly constant (0.82-0.84). Light utilization also varied seasonally, with lowest fractional utilization in the dry season. Clear sky conditions and low solar zenith angles accentuated shadowing and saturation effects during dry season months, decreasing light utilization by 20-25% compared to total leaf-absorbed PAR. These findings suggest that a potential response of Amazon forests to increasing PAR in the dry season, as measured at the top of canopy, is moderated by seasonal variability in light utilization from changes in shadowing and saturation effects at the leaf level. Our results point to the need for additional spatial information on forest structure to improve the representation of light availability in models of tropical forest productivity.

  15. Electric utility solar energy activities: 1980 survey

    NASA Astrophysics Data System (ADS)

    Wentworth, M. C.

    1980-12-01

    Brief descriptions of 839 projects being conducted by 236 utility companies are given. Also included are an index of projects by category, a statistical summary, a list of participating utilities with information contacts and addresses, a list of utilities with projects designated by category, a list of utilities organized by state, a list of available reports on utility sponsored projects, and a list of projects having multiple utility participants. Project categories include solar heating and cooling of buildings, wind energy conversion, solar thermal electric power, photovoltaics, biomass conversion, process heat, and ocean energy conversion.

  16. 3D Printing Utilized In Target Fabrication

    NASA Astrophysics Data System (ADS)

    Klein, Sallee; Deininger, Michael; Gamboa, Eliseo; Manuel, Mario; Satcher, Joe; Young, Rachel; Kuranz, Carolyn; Keiter, Paul; Drake, R. Paul

    2013-10-01

    Targets are used in high-energy-density physics, when, once ablated by lasers, are platforms for experiments that study astrophysical phenomenon, hydrodynamic instabilities and a myriad of other physics. Target fabrication has long suffered from difficulty in the repeatability of features from target to target. At the University of Michigan, micro-machined acrylic structures are often used to mitigate variations in targets for any single campaign. However, there are limitations to what can be conventionally machined. Ever sophisticated target designs are broaching the limitations of our traditional means of creating the acrylic structures that have long been such an integral element to our success in target fabrication. 3D printing has opened up new opportunities to build targets that could never have been machined by conventional means. Here, we present the advantages and limitations of 3D printing when utilized in target fabrication. This work is funded by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840, and by the National Laser User Facility Program, grant number DE-NA0000850.

  17. Utility and energy cost containment

    SciTech Connect

    Newhouse, R.

    1996-09-01

    One of the most lucrative areas for improving bottom line profitability is related to an organization`s costs for utilities and energy. Such things as gas, electric, water, and telephones are treasure chests of cost reduction opportunities. In the past, these items have been viewed as a fixed expense or basic mundane commodity. In recent years, these items have become a large portion of product cost and now must be examined on a continual basis. A formal income improvement program to capture and report on the savings is a requirement for remaining competitive in a global economy. This paper describes areas of potential inefficiency in terms of energy useage and resulting costs to industry.

  18. Psychiatric classifications: validity and utility.

    PubMed

    Jablensky, Assen

    2016-02-01

    Despite historical assumptions to the contrary, there is little evidence that the majority of recognized mental disorders are separated by natural boundaries. Diagnostic categories defined by their clinical syndromes should be regarded as 'valid' only if they have been shown to be truly discrete entities. Most diagnostic concepts in psychiatry have not been demonstrated to be valid in this sense, though many possess 'utility' by virtue of the information they convey about presenting symptoms, outcome, treatment response and, in some instances, aetiology. While researchers in genetics, neurobiology and population epidemiology are increasingly more likely to adopt a continuum/dimensional view of the variation in symptomatology, clinicians prefer to hold on to the categorical approach embodied in current classifications such as ICD-10 and DSM-5. Both points of view have plausible justification in their respective contexts, but the way forward may be in their conceptual reconciliation. PMID:26833601

  19. Spectral utilization in thermophotovoltaic devices

    SciTech Connect

    Clevenger, M.B.; Murray, C.S.

    1997-12-31

    Multilayer assemblies of epitaxially-grown, III-V semiconductor materials are being investigated for use in thermophotovoltaic (TPV) energy conversion applications. It has been observed that thick, highly-doped semiconductor layers within cell architectures dominate the parasitic free-carrier absorption (FCA) of devices at wavelengths above the bandgap of the semiconductor material. In this work, the wavelength-dependent, free-carrier absorption of p- and n-type InGaAs layers grown epitaxially onto semi-insulating (SI) InP substrates has been measured and related to the total absorption of long-wavelength photons in thermophotovoltaic devices. The optical responses of the TPV cells are then used in the calculation of spectral utilization factors and device efficiencies.

  20. Wind energy - A utility perspective

    NASA Astrophysics Data System (ADS)

    Fung, K. T.; Scheffler, R. L.; Stolpe, J.

    1981-03-01

    Broad consideration is given to the siting, demand, capital and operating cost and wind turbine design factors involved in a utility company's incorporation of wind powered electrical generation into existing grids. With the requirements of the Southern California Edison service region in mind, it is concluded that although the economic and legal climate for major investments in windpower are favorable, the continued development of large only wind turbine machines (on the scale of NASA's 2.5 MW Mod-2 design) is imperative in order to reduce manpower and maintenance costs. Stress is also put on the use of demonstration projects for both vertical and horizontal axis devices, in order to build up operational experience and confidence.