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Sample records for structure utilizing 8-hydroxyquinoline

  1. 8-Hydroxyquinolines in medicinal chemistry: A structural perspective.

    PubMed

    Oliveri, Valentina; Vecchio, Graziella

    2016-09-14

    8-Hydroxyquinolines are heterocyclic compounds characterized by a moderate metal-binding affinity. The interest in 8-hydroxyquinolines has grown exponentially in the last two decades as they are privileged structures for the design of new drug candidates that exert a host of biological effects on various targets. The study of biological activities such as neuroprotection, anticancer, antibacterial, antifungal activity has been further promoted by the synthetic versatility of 8-hydroxyquinoline, which allows the generation of a large number of derivatives. These include numerous multifunctional analogues having the metal-binding motif of 8-hydroxyquinoline. In this review, we have summarized 8-hydroxyquinolines, 8-hydroxyquinoline-like compounds, 8-hydroxyquinoline-loaded nanoparticle systems with respect to their biological activities, interaction with metal ions and mechanisms of action. PMID:27191619

  2. Structure and simulation of a Zundel ion stabilized by 8-hydroxyquinoline-5, 7 disulphonic acid

    NASA Astrophysics Data System (ADS)

    Venkatakrishnan, Hasthi Annapurna; Venkatakrishnan, Ramaseshan; Pennathur, Anuj Krishnasundar; Pennathur, Gautam

    2016-07-01

    8-hydroxyquinoline-5, 7 disulphonic was synthesized and recrystallized in methanol to strip away molecules of water. The structure of the molecule revealed that Zundel ion was stabilized in the crystal. Ab-initio molecular dynamics simulation was then carried out to understand the dynamics of proton hopping in this complex. During the course of simulation, the Zundel ion coordinates with a water molecule to form an open H7O3+ structure. This transition state structure de-solvated rapidly forming Zundel ion facilitating proton hopping in the first solvation shell. One of the sulphonic acid groups in the 5 or 7 position of the 8-hydroxyquinoline 5,7 disulphonic acid bonds with the Zundel ion favoring the proton to be transferred to the nearby water molecule through the formation of proton defects. The simulation results support the structural diffusion mechanism and that charged complex migrates through the hydrogen bond network.

  3. 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

  4. 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.

  5. 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 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. PMID:25589396

  6. Structural and photophysical studies on gallium(III) 8-hydroxyquinoline-5-sulfonates. Does excited state decay involve ligand photolabilisation?

    PubMed

    Ramos, M Luísa; de Sousa, Andreia R E; Justino, Licínia L G; Fonseca, Sofia M; Geraldes, Carlos F G C; Burrows, Hugh D

    2013-03-14

    Multinuclear ((1)H, (13)C and (71)Ga) magnetic resonance spectroscopy (1D and 2D), DFT calculations and luminescence techniques have been used to study 8-hydroxyquinoline-5-sulfonate (8-HQS) and its complexes with Ga(III) in aqueous solutions. The study combines the high sensitivity of luminescence techniques and the selectivity of multinuclear NMR spectroscopy with the structural details accessible through DFT calculations, and aims to obtain a complete understanding of the complexation between the Ga(3+) ion and 8-HQS, and how this influences the luminescence behaviour. A full speciation study has been performed on this system and three complexes detected, with (metal : ligand) 1 : 1, 1 : 2 and 1 : 3 stoichiometries, the results being consistent with those previously found for the system Al(III)-8-HQS. Complexation in these systems is relevant to their potential biomedical, sensing and optoelectronic applications. On binding to Ga(III), a marked increase is seen in the intensity of the 8-HQS fluorescence band, which is accompanied by changes in the absorption spectra. These support the use of 8-HQS as a sensitive fluorescent sensor to detect Ga(3+) metal ions in surface waters, biological fluids, etc., and its metal complexes as an emitting or charge transport layer in light emitting devices. However, the fluorescence quantum yield of the Ga(III)-8-HQS 1 : 3 complex is about 35% of that of the corresponding system with Al(III). Although this may be due in part to a heavy atom effect favouring S(1)→ T(1) intersystem crossing with Ga(3+), this does not agree with transient absorption measurements on the triplet state yield, which is lower with the Ga(III) system than with Al(III). Instead, it is suggested that photolabilisation of ligand exchange plays a major role in nonradiative decay of the excited state and that this is more efficient with the Ga(3+) complex. Based on these results, suggestions are made of ways of enhancing fluorescence

  7. Studies on the growth, structural, optical, mechanical properties of 8-hydroxyquinoline single crystal by vertical Bridgman technique

    SciTech Connect

    Prabhakaran, SP.; Babu, R. Ramesh; Velusamy, P.; Ramamurthi, K.

    2011-11-15

    Highlights: {yields} Growth of bulk single crystal of 8-hydroxyquinoline (8-HQ) by vertical Bridgman technique for the first time. {yields} The crystalline perfection is reasonably good. {yields} The photoluminescence spectrum shows that the material is suitable for blue light emission. -- Abstract: Single crystal of organic nonlinear optical material, 8-hydroxyquinoline (8-HQ) of dimension 52 mm (length) x 12 mm (dia.) was grown from melt using vertical Bridgman technique. The crystal system of the material was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. Low angular spread around 400'' of the diffraction curve and the low full width half maximum values show that the crystalline perfection is reasonably good. The recorded photoluminescence spectrum shows that the material is suitable for blue light emission. Optical transmittance for the UV and visible region was measured and mechanical strength was estimated from Vicker's microhardness test along the growth face of the grown crystal.

  8. Combined effects of one 8-hydroxyquinoline/picolinate and "CH"/N substitutions on the geometry, electronic structure and optical properties of mer-Alq(3).

    PubMed

    Gahungu, Godefroid; Zhang, Jingping; Ntakarutimana, Vestine; Gahungu, Nestor

    2010-01-14

    With the aim of evaluating the combined effect of one 8-hydroxyquinoline (q)/picolinate (p) and "CH"/N substitutions on the molecular geometry, electronic structure, and optical properties of tris-(8-hydroxyquinoline)aluminum [Alq(3)], the density functional theory (B3LYP) and time-dependent density functional theory (TD-B3LYP), using the 6-31G(d) and 3-21+G(d,p) basis sets were applied on Alq(3), Alq(2)p, and its "CH"/N-substitution derivatives. A comparison of the optimized ground-state (S(0)) geometries has shown that the molecular shape is conserved upon such a substitution. On the basis of the frontier molecular orbital and gap energy (E(g)) calculations, it was shown that, comparatively to the pristine Alq(2)p (and to the original parent Alq(3)), the HOMO and LUMO are stabilized, the net effect being an increasing or a decreasing E(g), depending on the position of the substituted group. The substitution of q(B) by p (from Alq(3) to Alq(2)p) was also found to induce the same feature. Starting from the S(0) and S(1) (first excited state) geometries, the effect of the substitution on the absorption (and emission) spectra was evaluated. It was found that the "CH"/N substitution in different positions on the two 8-hydroxyquinoline ligands may also constitute an efficient approach of tuning the Alq(2)p emitting color. In comparison with both Alq(3) and Alq(2)p, an important blue shift was predicted for the 5-substituted derivative, an important red shift being observed for the 4-substituted one. Also, relatively significant blue and red shifts were predicted for the 7- and 2-substituted derivatives. Finally, revisiting the correlation between the spectrum shifts and the metal-ligand bonding, our recent findings (2) were confirmed. PMID:19904976

  9. Synthesis, crystal structures and fluorescent properties of two new 7-iodo-8-hydroxyquinoline-5-sulfonic acid-containing polymers

    NASA Astrophysics Data System (ADS)

    Lu, Yongguang; Cheng, Wei; Meng, Xiangru; Hou, Hongwei

    2008-03-01

    Two new coordination polymers [Zn(IHQS)(4,4'-bipy) 1/2(H 2O) 2] n ( 1) and [Mn(IHQS)(4,4'-bipy) 1/2(H 2O) 2] n ( 2) (IHQS = 7-iodo-8-hydroxyquinoline-5-sulfonic acid) have been synthesized and characterized by single crystal X-ray diffraction. Both of them display one-dimensional chain framework in which the cage-like dimeric units formed by two metal ions, two IHQS anions and four water molecules are bridged by 4,4'-bipy. The hydrogen bonds and weak C--I···X (X = N, O, S) interactions extend the one-dimensional chains into three-dimensional supramolecular frameworks. The fluorescent properties of both polymers and IHQS were measured in solid state at room temperature. The results indicated that the emission spectra of the two polymers could be assigned to intraligand transition.

  10. Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study.

    PubMed

    Jiang, W; Zhou, M; Liu, Z; Sun, D; Vardeny, Z V; Liu, F

    2016-05-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris(8-hydroxyquinoline)iron(III) (Feq3) molecules and their interaction with ferromagnetic substrate. Our calculation results show that for the isolated Feq3, mer-Feq3 is more stable than the fac-Feq3; both Feq3 isomers have a high spin-state of 5 μ B as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3d electrons; while the standard DFT calculations produce a low spin-state of 1 μ B for mer-Feq3. These magnetic behaviors can be understood by the octahedral ligand field splitting theory. Furthermore, we found that fac-Feq3 has a stronger bonding to the Co surface than mer-Feq3 and an anti-ferromagnetic coupling was discovered between Fe and Co substrate, originating from the superexchange coupling between Fe and Co mediated by the interface oxygen and nitrogen atoms. These findings suggest that Feq3 molecular films may serve as a promising spin-filter material in spintronic devices. PMID:27044670

  11. Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study

    NASA Astrophysics Data System (ADS)

    Jiang, W.; Zhou, M.; Liu, Z.; Sun, D.; Vardeny, Z. V.; Liu, F.

    2016-05-01

    Using first-principles calculations, we have systematically investigated the structural, electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris(8-hydroxyquinoline)iron(III) (Feq3) molecules and their interaction with ferromagnetic substrate. Our calculation results show that for the isolated Feq3, mer-Feq3 is more stable than the fac-Feq3; both Feq3 isomers have a high spin-state of 5 μ B as the ground state when an on-site Hubbard-U term is included to treat the highly localized Fe 3d electrons; while the standard DFT calculations produce a low spin-state of 1 μ B for mer-Feq3. These magnetic behaviors can be understood by the octahedral ligand field splitting theory. Furthermore, we found that fac-Feq3 has a stronger bonding to the Co surface than mer-Feq3 and an anti-ferromagnetic coupling was discovered between Fe and Co substrate, originating from the superexchange coupling between Fe and Co mediated by the interface oxygen and nitrogen atoms. These findings suggest that Feq3 molecular films may serve as a promising spin-filter material in spintronic devices.

  12. 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. PMID:27029417

  13. Unravelling the role of the central metal ion in the electronic structure of tris(8-hydroxyquinoline) metal chelates: photoemission spectroscopy and hybrid functional calculations.

    PubMed

    Bisti, F; Stroppa, A; Donarelli, M; Anemone, G; Perrozzi, F; Picozzi, S; Ottaviano, L

    2012-11-29

    The electronic structures of tris(8-hydroxyquinolinato)-erbium(III) (ErQ(3)) and tris(8-hydroxyquinolinato)-aluminum(III) (AlQ(3)) have been studied by means of core level and valence band photoemission spectroscopy with the theoretical support of hybrid Heyd-Scuseria-Ernzerhof density functional theory, to investigate the role played by the central metal atom. A lower binding energy (0.2 eV and 0.3 eV, respectively) of the O 1s and N 1s core levels has been observed for ErQ(3) with respect to AlQ(3). Differences in the valence band spectra, mainly related to the first two peaks next to the highest occupied molecular orbital (HOMO), have been ascribed to an energetic shift (to 0.4 eV lower energies for ErQ(3)) of the σ molecular orbital between the oxygen atoms and the central metal atom. A lower (by 0.5 eV) ionization energy has been measured for the ErQ(3). The interpretation of these results is based on a reduced interaction between the central metal atom and the ligands in ErQ(3), with increased electronic charge around the ligands, due to the higher ionic radius and the lower electronegativity of Er with respect to Al. PMID:23106099

  14. 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

    Ramos, M Luísa; Justino, Licínia 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

  15. The design of 8-hydroxyquinoline tetracyclic lactams as HIV-1 integrase strand transfer inhibitors.

    PubMed

    Velthuisen, Emile J; Johns, Brian A; Temelkoff, David P; Brown, Kevin W; Danehower, Susan C

    2016-07-19

    A novel series of HIV-1 integrase strand transfer inhibitors were designed using the venerable two-metal binding pharmacophore model and incorporating structural elements from two different literature scaffolds. This manuscript describes a number of 8-hydroxyquinoline tetracyclic lactams with exceptional antiviral activity against HIV-1 and little loss of potency against the IN signature resistance mutations Q148K and G140S/Q148H. PMID:27092410

  16. 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 (ZnQ2·2H2O) and zinc(II) bis-(2-methyl-8-hydroxyquinoline) monohydrate (Zn(MQ)2·H2O) were successfully prepared by a room-temperature solid-state chemical reaction using zinc acetate (Zn(CH3COO)2·2H2O), 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 ZnQ2·2H2O and Zn(MQ)2·H2O. The scanning electron microscopy (SEM) images and the transmission electron microscopy (TEM) images showed that the products ZnQ2·2H2O and Zn(MQ)2·H2O had sheet-like morphology with a thickness of about 50 nm. The UV-vis absorption spectra of ZnQ2·2H2O and Zn(MQ)2·H2O indicated that they existed charge transfer from the metal to the ligand (MLCT bands). The room-temperature photoluminescence (PL) spectra of ZnQ2·2H2O 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 ZnQ2·2H2O was higher than some reported similar structure. The method was believed to largely facilitate the fabrication and application of organometallic complex nanomaterials.

  17. Novel 8-Hydroxyquinoline Derivatives as Multitarget Compounds for the Treatment of Alzheimer's Disease.

    PubMed

    Prati, Federica; Bergamini, Christian; Fato, Romana; Soukup, Ondrej; Korabecny, Jan; Andrisano, Vincenza; Bartolini, Manuela; Bolognesi, Maria Laura

    2016-06-20

    We discovered a small series of hit compounds that show multitargeting activities against key targets in Alzheimer's disease (AD). The compounds were designed by combining the structural features of the anti-AD drug donepezil with clioquinol, which is able to chelate redox-active metals, thus decreasing metal-driven oxidative phenomena and β-amyloid (Aβ)-mediated neurotoxicity. The majority of the new hybrid compounds selectively target human butyrylcholinesterase at micromolar concentrations and effectively inhibit Aβ self-aggregation. In addition, compounds 5-chloro-7-((4-(2-methoxybenzyl)piperazin-1-yl)methyl)-8-hydroxyquinoline (1 b), 7-((4-(2-methoxybenzyl)piperazin-1-yl)methyl)-8-hydroxyquinoline (2 b), and 7-(((1-benzylpiperidin-4-yl)amino)methyl)-5-chloro-8-hydroxyquinoline (3 a) are able to chelate copper(II) and zinc(II) and exert antioxidant activity in vitro. Importantly, in the case of 2 b, the multitarget profile is accompanied by high predicted blood-brain barrier permeability, low cytotoxicity in T67 cells, and acceptable toxicity in HUVEC primary cells. PMID:26880501

  18. Spin Polarization Properties of Na Doped Meridianal Tris(8-Hydroxyquinoline) Aluminum Studied by First Principles Calculations

    NASA Astrophysics Data System (ADS)

    Ren, Jun-Feng; Yuan, Xiao-Bo; Hu, Gui-Chao

    2014-04-01

    We theoretically investigate the electronic structure and spin polarization properties of Na-doped meridianal tris(8-hydroxyquinoline) aluminum (Alq3) by first principles calculations. It is found that the spin density is distributed mainly in the Alq3 part in the Alq3:Na complex. Electron charge transfer takes place from the Na atom to the Alq3 molecule, which induces asymmetric changing of the molecule bond lengths, thus the spin density distribution becomes asymmetric. Spin polarization of the complex originates from the preferable filling of the spin-split nitrogen and carbon p-orbitals because of the different bond length changes of the Alq3 molecule upon Na doping.

  19. DFT studies and vibrational spectra of isoquinoline and 8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Krishnakumar, V.; Ramasamy, R.

    2005-02-01

    The geometry, frequency and intensity of the vibrational bands of isoquinoline (IQ) and 8-hydroxyquinoline (8-HQ) were obtained by the density functional theory (DFT) calculations with the B3LYP functional and 6-31 G* basis set. The vibrational spectral data obtained from the solid phase mid and far FT-IR and FT-Raman spectra of IQ and 8-HQ are assigned based on the results of the normal coordinate calculations. The observed and the calculated spectra are found to be in good agreement.

  20. Understanding M-ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes.

    PubMed

    Lima, Carlos F R A C; Taveira, Ricardo J S; Costa, José C S; Fernandes, Ana M; Melo, André; Silva, Artur M S; Santos, Luís M N B F

    2016-06-28

    Tris(8-hydroxyquinolinate) metallic complexes, Mq3, are one of the most important classes of organic semiconductor materials. Herein, the nature of the chemical bond in Mq3 complexes and its implications on their molecular properties were investigated by a combined experimental and computational approach. Various Mq3 complexes, resulting from the alteration of the metal and substitution of the 8-hydroxyquinoline ligand in different positions, were prepared. The mer-/fac-isomerism in Mq3 was explored by FTIR and NMR spectroscopy, evidencing that, irrespective of the substituent, mer- and fac-are the most stable molecular configurations of Al(iii) and In(iii) complexes, respectively. The relative M-ligand bond dissociation energies were evaluated experimentally by electrospray ionization tandem mass spectrometry (ESI-MS-MS), showing a non-monotonous variation along the group (Al > In > Ga). The results reveal a strong covalent character in M-ligand bonding, which allows for through-ligand electron delocalization, and explain the preferred molecular structures of Mq3 complexes as resulting from the interplay between bonding and steric factors. The mer-isomer reduces intraligand repulsions, being preferred for smaller metals, while the fac-isomer is favoured for larger metals where stronger covalent M-ligand bonds can be formed due to more extensive through-ligand conjugation mediated by metal "d" orbitals. PMID:27273193

  1. 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

  2. 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 γ-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

  3. 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 π - π 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

  4. Bipolar resistive switching based on bis(8-hydroxyquinoline) cadmium complex: Mechanism and non-volatile memory application

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Yang, Ting; Xie, Ji-Peng; Lü, Wen-Li; Fan, Guo-Ying; Liu, Su

    2013-07-01

    Stable and persistent bipolar resistive switching was observed in an organic diode with the structure of indium-tin oxide (ITO)/bis(8-hydroxyquinoline) cadmium (Cdq2)/Al. Aggregate formation and electric field driven trapping and de-trapping of charge carriers in the aggregate states that lie in the energy gap of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the organic molecule were proposed as the mechanism of the observed bipolar resistive switching, and this was solidly supported by the results of AFM investigations. Repeatedly set, read, and reset measurements demonstrated that the device is potentially applicable in non-volatile memories.

  5. Effect of 8-hydroxyquinoline and derivatives on human neuroblastoma SH-SY5Y cells under high glucose

    PubMed Central

    Suwanjang, Wilasinee; Prachayasittikul, Supaluk

    2016-01-01

    8-Hydroxyquinoline and derivatives exhibit multifunctional properties, including antioxidant, antineurodegenerative, anticancer, anti-inflammatory and antidiabetic activities. In biological systems, elevation of intracellular calcium can cause calpain activation, leading to cell death. Here, the effect of 8-hydroxyquinoline and derivatives (5-chloro-7-iodo-8-hydroxyquinoline or clioquinol and 8-hydroxy-5-nitroquinoline or nitroxoline) on calpain-dependent (calpain-calpastatin) pathways in human neuroblastoma (SH-SY5Y) cells was investigated. 8-Hydroxyquinoline and derivatives ameliorated high glucose toxicity in SH-SY5Y cells. The investigated compounds, particularly clioquinol, attenuated the increased expression of calpain, even under high-glucose conditions. 8-Hydroxyquinoline and derivatives thus adversely affected the promotion of neuronal cell death by high glucose via the calpain-calpastatin signaling pathways. These findings support the beneficial effects of 8-hydroxyquinolines for further therapeutic development.

  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 1.9×10-4 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. 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 LnCl3ṡ6H2O affords a series of mononuclear lanthanide complexes Ce(baho)2·Et2O (1) (H2baho = 2,8-bis(2-(8-hydroxylquinolinyl))-1-aza-5-hydroxymethyl-3,7-dioxabicyclo[3.3.0]octane), Dy(nhm)2Cl·0.5H2O (2) and Ln(nhm)2Cl·0.5C6H14 (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 μs in solid and 9.96 μs in CH3OH solution.

  8. 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

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

    NASA Astrophysics Data System (ADS)

    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 4000-100 cm -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.

  10. Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films.

    PubMed

    Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto

    2003-07-01

    Metal organic contacts are at the basis of devices such as organic light emitting diodes (OLEDs). Here, we report a theoretical investigation of the chemical interaction between a Mg atom and an organic film made of tris(8-hydroxyquinoline)aluminum (Alq3) molecules. The latter is modeled either by an isolated molecule or by a bulk crystal. Using first-principles molecular dynamics for structural optimization, we find that an isolated Alq3 molecule and a Mg atom form an ion-pair. However, when the metal atom interacts with molecules in a bulk crystalline environment, we find that an organometallic complex is energetically preferred over the ion-pair. The complex formation is an effect of the environment which makes possible the interaction of the metal atom with several adjacent molecules. Here, our calculated O(1s) and N(1s) core level shifts agree well with recent experimental data on Alq3 films exposed to Mg. Our results resolve the apparent contradiction between experiment and predictions made in previous calculations in which a single Alq3 molecule was used to model a thin film. PMID:12822992

  11. 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

  12. Synthesis, antimicrobial, and antiviral activities of some new 5-sulphonamido-8-hydroxyquinoline derivatives.

    PubMed

    Kassem, Emad M; El-Sawy, Eslam R; Abd-Alla, Howaida I; Mandour, Adel H; Abdel-Mogeed, Dina; El-Safty, Mounir M

    2012-06-01

    A series of fused pyranopyrazole and pyranoimidazole, namely 5-(3,6-diamino-4-aryl-5-carbonitrile-pyrano(2,3-c)pyrazol-2-yl)sulphonyl-8-hydroxyquinolines (5a-e), 5-(6-amino-4-aryl-5-carbonitrile-pyrano(2,3-c)pyrazol-3-yl)sulphonamido-8-hydroxyquinolines (6a-e), 5-(2-thioxo-4-aryl-5-carbonitrile-6-amino-pyrano(2,3-d)imidazol-2-yl)sulphonyl-8-hydroxyquinolines (10a-e), and 5-(2-oxo-4-aryl-5-carbonitrile-6-amino-pyrano(2,3-d)imidazol-2-yl) sulphonyl-8-hydroxyquinolines (11a-e), have been prepared via condensation of some arylidine malononitriles with 5-sulphonamido-8-hydroxyquinoline derivatives 3, 4, 8 and 9. All the synthesized compounds were screened for their antimicrobial activities, and most of the tested compounds showed potent inhibition growth activity towards Escherichia coli, Pseudomonas aeruginosa (Gramnegative bacteria). Furthermore, six selected compounds were tested for their antiviral activity against avian paramyxovirus type1 (APMV-1) and laryngotracheitis virus (LTV), and the results showed that a concentration range of 3-4 μg per mL of compounds 2, 3, and 4 showed marked viral inhibitory activity for APMV-1 of 5000 tissue culture infected dose fifty (TCID(50)) and LTV of 500 TCID(50) in Vero cell cultures based on their cytopathic effect. Chicken embryo experiments show that compounds 2, 3, and 4 possess high antiviral activity in vitro with an inhibitory concentration fifty (IC(50)) range of 3-4 μg per egg against avian APMV-1 and LTV and their toxic concentration fifty (CC(50)) of 200-300 μg per egg. PMID:22870804

  13. One pot synthesis of functionalized SBA-15 by using an 8-hydroxyquinoline-5-sulfonamide-modified organosilane as precursor.

    PubMed

    Badiei, Alireza; Goldooz, Hassan; Ziarani, Ghodsi Mohammadi; Abbasi, Alireza

    2011-05-01

    A novel functionalized SBA-15 mesoporous material was prepared through co-condensation of tetraethylorthosilicate with an 8-hydroxyquinoline-5-sulfonamide-modified organosilane precursor in the presence of P123 as structure-directing agent. After removal of template, the obtained material was characterized by powder X-ray diffraction (XRD), nitrogen adsorption-desorption, Fourier transform infrared (FT-IR), thermal analysis (TGA-DTA), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and elemental analysis. Then, aluminum quinolate complex was attached covalently to this functionalized SBA-15 by using coordinating ability of grafted 8-HQ and its emission spectra showed a slightly blue shift in comparison with AlQ(3) complex. PMID:21349532

  14. Magnetic susceptibility of Alq 3 powder, pure and Al-doped 8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Burke, Franklyn; Abid, Mohamed; Stamenov, Plamen; Coey, J. M. D.

    2010-05-01

    Single-crystal nanowires several microns long and 100-200 nm in diameter were grown by physical vapour deposition from mixed Alq 3/γ-Al 2O 3 powder. The crystals are orthorhombic Al-doped 8-hydroxyquinoline. The molar susceptibility is -3×10 -9 at room temperature, and it shows a Curie-law upturn below about 50 K. The approach to saturation at low temperature indicates a density of S={1}/{2} defects 4×10 -4 per formula unit. Pure 8-hydroxyquinoline and aluminium (Alq 3) behave similarly. Pressed pellets exhibit much increased paramagnetic susceptibility due to iron ions scavanged from the steel die. Subsequent melting of these samples produces a ferromagnetic signal of order 0.01 A m 2 kg -1, which is attributed to metallic iron nanoclusters in the organic material.

  15. Growth and spectroscopic characterization of a new organic nonlinear optical crystal—8-hydroxyquinoline

    NASA Astrophysics Data System (ADS)

    Krishnakumar, V.; Nagalakshmi, R.; Janaki, P.

    2005-04-01

    A novel organic nonlinear optical crystal 8-hydroxyquinoline having good optical quality has been grown by slow evaporation solution technique using methanol as solvent. The morphology of the grown crystals were identified by X-ray diffraction method. Solubility studies were made under various solvents and solvent mixtures at different temperatures. Functional groups present in the grown material have been identified using FTIR and FT Raman spectra. Transparency was tested using UV-vis spectrophotometer and the second harmonic generation was also verified.

  16. 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.

  17. 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

  18. Preconcentration of some metal ions with lanthanum-8-hydroxyquinoline co-precipitation system.

    PubMed

    Feist, Barbara; Mikula, Barbara

    2014-03-15

    A method of separation and preconcentration of cadmium, copper, nickel, lead and zinc at trace level using 8-hydroxyquinoline as a chelating agent and lanthanum(III) as a carrier element is proposed. The heavy metals were determined after preconcentration by inductively coupled plasma optical emission spectrometry (ICP-OES). The results were compared with those obtained using flame atomic absorption spectrometry (F-AAS). The influence of several parameters such as pH, amount of lanthanum(III) as a carrier element, amount of 8-hydroxyquinoline, duration of co-precipitation was examined. Moreover, effects of inorganic matrix on recovery of the determined elements were studied. The detection limits (DL) for ICP-OES were 0.31, 2.9, 1.4, 3.2 and 1.2 μg L(-1) for Cd, Cu, Ni, Pb and Zn, respectively, whereas for F-AAS DL were 0.63, 1.1, 3.2, 2.7 and 0.74 μg L(-1). The recovery of the method for the determined elements was better than 94% with relative standard deviation between 0.63% and 2.9%. The preconcentration factor was 60. The proposed method was successfully applied for determination of Cd, Cu, Ni, Pb, and Zn in plant materials. Accuracy of the proposed method was verified using certified reference material (NCS ZC85006 Tomato). PMID:24206710

  19. 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 γ-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 PMID:26682036

  20. Aqueous Co(II) adsorption using 8-hydroxyquinoline anchored γ-Fe2O3@chitosan with Co(II) as imprinted ions.

    PubMed

    Hossein Beyki, Mostafa; Shemirani, Farzaneh; Shirkhodaie, Mahsa

    2016-06-01

    A novel, bio-based 8-hydroxyquinoline (8-HQ) anchored magnetic chitosan using Co(II) as imprinted ions was prepared and applied for selective removal of Co(II) from aqueous solutions. At first, γ-Fe2O3 has been synthesized by solvent free precipitation route and then combined with 8-hydroxyquinoline anchored chitosan using epichlorohydrin (EPH) as crosslinking agent. The FT- IR spectra showed that 8-HQ has been successfully anchored onto chitosan structure. Moreover, TEM analysis confirmed that the nanocomposite has core-shell structure. The experimental results showed that equilibrium time was 10min moreover, the maximum adsorption capacity of Co(II) with non-imprinted and surface imprinted polymer at pH 8 were 66.6 and 100mgg(-1), respectively. The selectivity coefficient of Co(II) ions relative to Cd(II), Ni(II) and Pb(II) were 11, 42 and 2, respectively. Prepared biosorbent represented good stability and good repeatability after three cycle of sorption and desorption using 0.5molL-(1) of HNO3 as eluent. Kinetic and thermodynamic behavior were also investigated and result showed that cobalt adsorption followed second order model and endothermic path. PMID:26944662

  1. Seven phenoxido-bridged complexes encapsulated by 8-hydroxyquinoline Schiff base derivatives and β-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

    2016-02-28

    Seven dinuclear complexes based on 8-hydroxyquinoline Schiff base derivatives and β-diketone ligands, [RE2(hfac)4L2] (RE = Y (1), Gd (2), Tb (3), Dy (4), Ho (5), Er (6) and Lu (7); hfac(-) = hexafluoroacetylacetonate; HL = 2-[(4-chloro-phenylimino)-methyl]-8-hydroxyquinoline), have been synthesized, and structurally and magnetically characterized. Complexes 1-7 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 3 exhibits characteristic Tb(III) ion luminescence, while 1 and 7 show HL ligand luminescence. The magnetic studies reveal that 2 features a magnetocaloric effect with the magnetic entropy change of -ΔSm = 16.83 J kg(-1) K(-1) at 2 K for ΔH = 8 T, and 4 displays slow magnetic relaxation behavior with the anisotropic barrier of 6.7 K and pre-exponential factor τ0 = 5.3 × 10(-6) s. PMID:26792239

  2. 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.

  3. Thermally stimulated luminescence of naphthyl-substituted benzidine derivative and tris-8-(hydroxyquinoline) aluminum with and without metal layers

    SciTech Connect

    Forsythe, E.W.; Morton, D.C.; Gao, Y.

    1998-07-01

    Multilayer organic light emitting devices based on tris-8-(hydroxyquinoline) aluminum (Alq{sub 3}) and a naphthyl-substituted benzidine derivative (NPB) have demonstrated practical electroluminescence with a wide range of color. Trap states in these materials play an important role in the carrier transport as well as the light emission process. The authors report the first observation of thermally stimulated luminescence (TSL) from Alq{sub 3} and NPB. The TSL spectra from 8K to 300K were used to determine the trap states in Alq{sub 3} and NPB. The results for Alq{sub 3} show a significant trap distribution at 156K, which corresponds to a mean trap depth ranging from 0.18 to 0.12 eV, whereas the trap states in NPB are centered from 0.15 eV to 0.01 eV. The authors have used TSL to study the trap state properties of thin metal layers in the Alq{sub 3} films. In addition, they report photoluminescence as a function of temperature for Alq{sub 3}. TSL spectroscopy provides a technique to study the trap states in a specific layer of the device structure.

  4. Investigation of organic magnetoresistance dependence on spin-orbit coupling using 8-hydroxyquinolinate rare-earth based complexes

    NASA Astrophysics Data System (ADS)

    Carvalho, R. S.; Costa, D. G.; Ávila, H. C.; Paolini, T. B.; Brito, H. F.; Capaz, Rodrigo B.; Cremona, M.

    2016-05-01

    The recently discovered organic magnetoresistance effect (OMAR) reveals the spin-dependent behavior of the charge transport in organic semiconductors. So far, it is known that hyperfine interactions play an important role in this phenomenon and also that spin-orbit coupling is negligible for light-atom based compounds. However, in the presence of heavy atoms, spin-orbit interactions should play an important role in OMAR. It is known that these interactions are responsible for singlet and triplet states mixing via intersystem crossing and the change of spin-charge relaxation time in the charge mobility process. In this work, we report a dramatic change in the OMAR effect caused by the presence of strong intramolecular spin-orbit coupling in a series of rare-earth quinolate organic complex-based devices. Our data show a different OMAR lineshape compared with the OMAR lineshape of tris(8-hydroxyquinolinate) aluminum-based devices, which are well described in the literature. In addition, electronic structure calculations based on density functional theory help to establish the connection between this results and the presence of heavy central ions in the different complexes.

  5. Kinetics of the complexation of ferric iron with 8-hydroxyquinoline and KELEX 100

    SciTech Connect

    Ki, K.Y; Lemert, R.M.; Chang, H.K.

    1987-01-01

    The complexation reactions of ferric iron with 8-Hydroxyquinoline and KELEX-100 in both aqueous and methanol solutions were studied by using a stopped-flow spectrophotometer. In the aqueous solutions, the observed rate law was found to be first-order with respect to both iron(III) and oxine and inverse-first-order with respect to the hydrogen ion. While in the methanol solution, the rate law was first-order with respect to iron(III) and KELEX-100. Reaction pathes with the formation of the first complex, FeAS , from either FeT or Fe(OH)S were proposed to explain the observed rate law. The activation energies were found to be 5.5 kcal/g-mole and 15 kcal/g-mole for the aqueous and methanol solutions, respectively.

  6. Fluorescence quenching determination of metallothioneins using 8-hydroxyquinoline-5-sulphonic acid-Cd(II) chelate

    NASA Astrophysics Data System (ADS)

    Qian, Qiu-Mei; Wang, Yong-Sheng; Zhou, Bin; Xue, Jin-Hua; Li, Le; Wang, Yong-Song; Wang, Jia-Cheng; Yin, Ji-Cheng; Liu, Shan-Du; Zhao, Hui; Liu, Hui

    2014-01-01

    A novel method for the determination of metallothioneins (MTs) in urine was developed by fluorescence quenching strategy. The response signals linearly correlated with the concentration of MTs in the ranges of 3.12 × 10-8-1.23 × 10-6 mol L-1, and the limit of detection (LOD) was 9.36 × 10-9 mol L-1. The proposed method avoids the label and derivatization steps in common methods, and is reliable, inexpensive and sensitive. Furthermore, the interaction of MTs and 8-hydroxyquinoline-5-sulphonic acid (HQS)-Cd(II) chelate was investigated, and a static quenching mode was proposed to be primarily responsible for the fluorescence quenching event. It could provide a promising potential for the detection of the biomacromolecules which have no native fluorescence, and be benefit to extend the application of fluorescence strategy.

  7. 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

  8. Ring-substituted 8-hydroxyquinoline-2-carboxanilides as photosystem II inhibitors.

    PubMed

    Jampilek, Josef; Kralova, Katarina; Pesko, Matus; Kos, Jiri

    2016-08-15

    Ring-substituted 8-hydroxyquinoline-2-carboxanilides inhibited photosynthetic electron transport (PET) through photosystem (PS) II. Their inhibitory efficiency depended on the compound lipophilicity, the electronic properties of the substituent R and the position of the substituent R on the benzene ring. The most effective inhibitors showing IC50 values in the range 2.3-3.6μM were substituted in C'(3) by F, CH3, Cl and Br. The dependence of the PET-inhibiting activity on the lipophilicity of the compounds was quasi-parabolic for 3-substituted derivatives, while for C'(2) ones a slight increase and for C'(4) derivatives a sharp decrease of the activity were observed with increasing lipophilicity. In addition, the dependence of PET-inhibiting activity on electronic Hammett's σ parameter of the substituent R was observed with optimum σ value 0.06 for C'(4) and 0.34 for C'(3) substituted derivatives, while the value of σ parameter did not significantly influence the PET-inhibiting activity of C'(2) substituted compounds. Interactions of the studied compounds with chlorophyll a and aromatic amino acids present in the pigment-protein complexes mainly in PS II were documented by fluorescence spectroscopy. The section between P680 and plastoquinone QB occurring on the acceptor side of PS II can be suggested as the site of action of the compounds. PMID:27432762

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

    PubMed

    Wang, Xiaoju; Feng, Liheng; Chen, Zhaobin

    2008-12-15

    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 (C60) and carbon nanotubes (CNTs) were also respectively investigated, which indicated the metal dye can be used as new fluorescent probe. PMID:18550423

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

    PubMed

    Chiter, Fatah; Lacaze-Dufaure, Corinne; Tang, Hao; Pébère, 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 (Δρ) between the molecule and the surface account for covalent bonding. PMID:26243038

  11. 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 (Aβ) deposition and stabilization in Alzheimer's disease (AD). Consequently, metal binding agents that prevent metal-Aβ interaction and lead to the dissolution of Aβ 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 Aβ oligomerization (EC50s < ∼5 μM). These compounds are suitable for further development as drug candidates and/or positron emission tomography (PET) biomarkers if radiolabeled with (18)F. PMID:26396692

  12. White light emission from exciplex using tris-(8-hydroxyquinoline)aluminum as chromaticity-tuning layer

    SciTech Connect

    Feng, Jing; Li, Feng; Gao, Wenbao; Liu, Shiyong; Liu, Yu; Wang, Yue

    2001-06-18

    We demonstrate efficient organic white light-emitting devices (LEDs), using N,N{prime}-diphenyl-N,N{prime}-bis(1-naphthyl){endash}(1,1{prime}-biphenyl)-4,4{prime}-diamine (NPB) as the hole-transporting layer, 1,6-bis(2-hydroxyphenyl)pyridine boron complex [(dppy)BF] as the emitting layer, tris-(8-hydroxyquinoline)aluminum (Alq) as the electron-transporting and chromaticity-tuning layer. The white light comes from exciplex emission at the solid-state interface between (dppy)BF and NPB in addition to the exciton emission from NPB and (dppy)BF, respectively. The chromaticity of white emission can be tuned by adjusting the thickness of the Alq layer. The white LEDs with an Alq thickness of 15 nm exhibit a maximum luminescence of 2000 cd/m2 and efficiency of 0.58 lm/W, and the Commission Internationale De l{close_quote}Eclairage coordinates of resulting emission vary from (0.29,0.33) to (0.31,0.35) with increasing forward bias from 10 to 25 V. The region is very close to the equienergy white point (0.33,0.33). {copyright} 2001 American Institute of Physics.

  13. Isotope effect in the spin response of aluminum tris(8-hydroxyquinoline) based devices

    NASA Astrophysics Data System (ADS)

    Nguyen, Tho D.; Basel, T. P.; Pu, Y.-J.; Li, X.-G.; Ehrenfreund, E.; Vardeny, Z. V.

    2012-06-01

    We studied the spin response of various magnetic field effects and magnetotransport in both protonated and deuterated aluminum tris(8-hydroxyquinoline) [Alq3]-based organic light emitting diodes and spin-valve devices. Both conductivity-detected magnetic resonance in diodes and magnetoresistance in spin valves show substantial isotope dependence pointing to the importance of the hyperfine interaction (HFI) in the spin response of spin ½ charge polarons in Alq3. In addition, the low field (B < 20 mT) magnetoelectroluminescence (MEL) response is also isotope sensitive, showing that HFI-induced spin mixing of polaron-pairs spin sublevels dominates this response too. However, the magnetoconductance (MC) response was found to be much less sensitive to isotope exchange at low fields, in agreement with previous studies. The disparity between the isotope sensitivity of MC and MEL responses in Alq3 indicates that the HFI in the MC response is overwhelmed by an isotope independent spin mixing mechanism. We propose that collisions of spin ½ carriers—with triplet species such as polaron pairs may be the main spin mixing mechanism in the low field MC response in Alq3 diodes.

  14. 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.

  15. 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).

  16. Quantitative High-Throughput Screening Identifies 8-Hydroxyquinolines as Cell-Active Histone Demethylase Inhibitors

    PubMed Central

    Kawamura, Akane; Rose, Nathan R.; Ng, Stanley S.; Quinn, Amy M.; Rai, Ganesha; Mott, Bryan T.; Beswick, Paul; Klose, Robert J.; Oppermann, Udo; Jadhav, Ajit; Heightman, Tom D.; Maloney, David J.; Schofield, Christopher J.; Simeonov, Anton

    2010-01-01

    Background Small molecule modulators of epigenetic processes are currently sought as basic probes for biochemical mechanisms, and as starting points for development of therapeutic agents. Nε-Methylation of lysine residues on histone tails is one of a number of post-translational modifications that together enable transcriptional regulation. Histone lysine demethylases antagonize the action of histone methyltransferases in a site- and methylation state-specific manner. Nε-Methyllysine demethylases that use 2-oxoglutarate as co-factor are associated with diverse human diseases, including cancer, inflammation and X-linked mental retardation; they are proposed as targets for the therapeutic modulation of transcription. There are few reports on the identification of templates that are amenable to development as potent inhibitors in vivo and large diverse collections have yet to be exploited for the discovery of demethylase inhibitors. Principal Findings High-throughput screening of a ∼236,000-member collection of diverse molecules arrayed as dilution series was used to identify inhibitors of the JMJD2 (KDM4) family of 2-oxoglutarate-dependent histone demethylases. Initial screening hits were prioritized by a combination of cheminformatics, counterscreening using a coupled assay enzyme, and orthogonal confirmatory detection of inhibition by mass spectrometric assays. Follow-up studies were carried out on one of the series identified, 8-hydroxyquinolines, which were shown by crystallographic analyses to inhibit by binding to the active site Fe(II) and to modulate demethylation at the H3K9 locus in a cell-based assay. Conclusions These studies demonstrate that diverse compound screening can yield novel inhibitors of 2OG dependent histone demethylases and provide starting points for the development of potent and selective agents to interrogate epigenetic regulation. PMID:21124847

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

    PubMed

    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 (Logβ11n) 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 Al(3+) at pH 7.4, in water. Moreover, TAME5OX can distinguish Al(3+) from Fe(3+) and Cr(3+) via two different sensing mechanisms: photoinduced electron transfer (PET) for Al(3+) and internal charge transfer (ICT) for Fe(3+) and Cr(3+). 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

  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. Stable 8-hydroxyquinolinate-based podates as efficient sensitizers of lanthanide near-infrared luminescence.

    PubMed

    Comby, Steve; Imbert, Daniel; Chauvin, Anne-Sophie; Bünzli, Jean-Claude G

    2006-01-23

    New polydentate ligands (e.g., Tsox and TsoxMe) have been synthesized to take advantage of the chelating effect of bidentate 8-hydroxyquinolinate subunits connected to a N,N,N',N'-tetraaminopropyl-1,2-ethylenediamine framework and with the aim of sensitizing the NIR luminescence of Nd(III) and Yb(III) ions. Ten pK(a)'s have been determined and the interaction between the ligands and Ln(III) ions in dilute aqueous solution has been probed both by potentiometric and spectrophotometric titrations. These studies have been mostly performed with the Eu(III) ion, which is in the middle of the lanthanide series, and extended to other ions (La(III), Er(III), Lu(IIII)). Stable complexes with Ln(III) ions are formed (pLn in the range of 14-16), the four chromophoric units being coordinated to the metal center, exploiting the entropic effect generated by the anchor. The monometallic complexes [Ln(H(2)L)](3)(-) exist as the major species at physiological pH regardless of the lanthanide used. Lifetime determinations of the Nd((4)F(3/2)) and Yb((2)F(5/2)) excited levels in both H(2)O and D(2)O at buffered pH point to the absence of water molecules bound in the inner coordination sphere of the Ln(III). Photophysical properties of the free ligands and of their lanthanide complexes have been investigated in buffered aqueous solutions both at room temperature and 77 K. The low-energy triplet state makes energy transfers from the ligand to the metal ions possible; this leads to a sizable sensitization of the Nd(III)- or Yb(III)-centered luminescence ( = 0.02% and = 0.18%) for Tsox chelates. Methylation of the amide functions removes the quenching mechanism induced by the proximate N-H vibrations and increases both the lifetimes and quantum yields of the TsoxMe chelates ( = 0.04% and = 0.37%). In fact, TsoxMe yields one of the most luminescent Yb(III) compounds known in water, and this ligand appears to be suitable for the development of NIR probes for bioanalyses. PMID:16411709

  20. Antimicrobial Activity of Metal & Metal Oxide Nanoparticles Interfaced With Ligand Complexes Of 8-Hydroxyquinoline And α-Amino Acids

    NASA Astrophysics Data System (ADS)

    Bhanjana, Gaurav; Kumar, Neeraj; Thakur, Rajesh; Dilbaghi, Neeraj; Kumar, Sandeep

    2011-12-01

    Antimicrobial nanotechnology is a recent addition to the fight against disease causing organisms, replacing heavy metals and toxins. In the present work, mixed ligand complexes of metals like zinc, silver etc. and metal oxide have been synthesized using 8-hydroxyquinoline (HQ) as a primary ligand and N-and/O-donor amino acids such as L-serine, L-alanine, glycine, cysteine and histidine as secondary ligands. These complexes were characterized using different spectroscopic techniques. The complexes were tested for antifungal and antibacterial activity by using agar well diffusion bioassay.

  1. A study on the spectroscopic, energy band, and optoelectronic properties of α,ω-dihexylsexithiophene/tris(8-hydroxyquinolinate) gallium blends; DH6T/Gaq3 composite system.

    PubMed

    Muhammad, Fahmi F; Yahya, Mohd Yazid; Ketuly, Kamal Aziz; Muhammad, Abdulkader Jaleel; Sulaiman, Khaulah

    2016-12-01

    In this work the optical response, spectroscopic behaviour, and optoelectronic properties of solution and solid state composite systems based on α,ω-dihexylsexithiophene/tris(8-hydroxyquinolinate) gallium (DH6T/Gaq3) are studied upon the incorporation of different molar percentages of Gaq3. UV-vis, PL, FTIR spectrophotometers and SEM technique were utilized to perform the investigations. The results showed a reduced energy band (Eg) (from 2.33eV to 1.83eV) and a broadened absorption spectrum for the blend system when 29.8% molar of Gaq3 was incorporated. These were attributed to the enhanced intermolecular interactions that are brought about by the increased strength of π-π overlap between the molecular moieties. A mathematical formula was developed to interpret the non-monotonic change occurred in Eg, while numerical calculations have been made to assign the type and nature of the electronic transitions governing the spectroscopic behaviour of the system. The results were elaborated and comprehensively discussed in terms of the exciton generation, energy band theory, molecular interactions, and spatial geometry. PMID:27372510

  2. 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.

  3. Tumor Cellular Proteasome Inhibition and Growth Suppression by 8-Hydroxyquinoline and Clioquinol Requires Their Capabilities to Bind Copper and Transport Copper into Cells

    PubMed Central

    Zhai, Shumei; Yang, Lei; Cui, Qiuzhi Cindy; Sun, Ying; Dou, Q. Ping; Yan, Bing

    2009-01-01

    We have previously reported that when mixed with copper, 8-hydroxyquinoline (8-OHQ) and its analog clioquinol (CQ) inhibited the proteasomal activity and proliferation in cultured human cancer cells. CQ treatment of high copper-containing human tumor xenografts also caused cancer suppression, associated with proteasome inhibition in vivo. However, the nature of copper dependence of these events has not been elucidated experimentally. In the current study, by using chemical probe molecules that mimic structures of 8-OHQ and CQ, but have no copper binding capability, we dissected the complex cellular processes elicited by 8-OHQ-Cu or CQ-Cu mixture and revealed that copper-binding to 8-OHQ or CQ is required for transportation of copper complex into human breast cancer cells and the consequent proteasome-inhibitory, growth-suppressive and apoptosis-inducing activities. In contrast, the non-copper-binding analogs of 8-OHQ or CQ blocked the very first step – copper binding in this chain of events mediated by 8-OHQ-Cu or CQ-Cu. PMID:19809836

  4. Paramagnetic relaxation enhancement of membrane proteins by incorporation of the metal-chelating unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl) propanoic acid (HQA)

    PubMed Central

    Park, Sang Ho; Wang, Vivian; Radoicic, Jasmina; De Angelis, Anna A.; Berkamp, Sabrina; Opella, Stanley J.

    2014-01-01

    The use of paramagnetic constraints in protein NMR is an active area of research because of the benefits of long-range distance measurements (>10 Å). One of the main issues in successful execution is the incorporation of a paramagnetic metal ion into diamagnetic proteins. The most common metal ion tags are relatively long aliphatic chains attached to the side chain of a selected cysteine residue with a chelating group at the end where it can undergo substantial internal motions, decreasing the accuracy of the method. An attractive alternative approach is to incorporate an unnatural amino acid (UAA) that binds metal ions at a specific site on the protein using the methods of molecular biology. Here we describe the successful incorporation of the unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl) propanoic acid (HQA) into two different membrane proteins by heterologous expression in E. coli. Fluorescence and NMR experiments demonstrate complete replacement of the natural amino acid with HQA and stable metal chelation by the mutated proteins. Evidence of site-specific intra- and inter-molecular PREs by NMR in micelle solutions sets the stage for the use of HQA incorporation in solid-state NMR structure determinations of membrane proteins in phospholipid bilayers. PMID:25430059

  5. 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 (π-π*) 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)/α-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.

  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. Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

    NASA Astrophysics Data System (ADS)

    Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

    2013-04-01

    The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

  8. 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

  9. Adsorption of lead (II) ions onto novel cassava starch 5-choloromethyl-8-hydroxyquinoline polymer from an aqueous medium.

    PubMed

    Shah, Prapti U; Raval, Nirav P; Vekariya, Mayur; Wadhwani, Poonam M; Shah, Nisha K

    2016-01-01

    Adsorption of lead (II) ions onto cassava starch 5-choloromethyl-8-hydroxyquinoline polymer (CSCMQ) was investigated with the variation in the parameters of pH, contact time, lead (II) ions concentration, temperature and the adsorbent dose. The Langmuir and Freundlich models have been applied. CSCMQ was characterized by Fourier transform infrared spectroscopy and scanning electron microscopy. Results showed that the adsorption process was better described by the Langmuir model. Adsorption kinetics data obtained for the metal ions sorption were investigated using pseudo-first-order, pseudo-second-order and intraparticle diffusion model. The maximum adsorption capacities (qm) were 46.512, 43.859 and 42.735 mg/g at 25, 35 and 45 °C, respectively. The dynamical data fit well with the second-order kinetics model. The results indicate that CSCMQ could be employed as low-cost material for the adsorption of Pb(II) ions from aqueous medium. PMID:27533869

  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. Synthesis, characterization and antibacterial activity of mixed ligand dioxouranium complexes of 8-hydroxyquinoline and some amino acids.

    PubMed

    Patil, Sunil S; Shaikh, Manzoor M

    2012-01-01

    Mixed ligand complexes of dioxouranium(VI) of the type [UO2(Q)(L)-2H2O] 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 is 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 coordinated water molecules. The agar cup and tube dilution methods have been used to study the antibacterial activity of the complexes against the pathogenic bacteria S. aureus, C. diphtherinae, S. typhi and E. coli. PMID:22876610

  12. Toxicity of 8-Hydroxyquinoline in Cryprinus carpio Using the Acute Toxicity Test, Hepatase Activity Analysis and the Comet Assay.

    PubMed

    Yan, Shuaiguo; Chen, Lili; Dou, Xiaofei; Qi, Meng; Du, Qiyan; He, Qiaoqiao; Nan, Mingge; Chang, Zhongjie; Nan, Ping

    2015-08-01

    To evaluate the environmental toxicity of 8-hydroxyquinoline (8-HOQ), an important industrial raw material found in China's major ornamental fish, Cryprinus carpio, using the acute toxicity test, hepatase activity analysis and the comet assay. The results indicated that 8-HOQ had significant acute toxicity in adult C. carpio with a 96 h-LC50 of 1.15 and 0.22 mg L(-1) hepatic quinoline residues as assessed by HPLC. 8-HOQ also induced genotoxicity in the form of strand breaks in the DNA of hepatic cells as shown by the comet assay. With regard to physiological toxicity, 8-HOQ induced a decrease in the activities of hepatic GOT and GPT with increased exposure concentration and time. These data suggest that 8-HOQ may be toxic to the health of aquatic organisms when accidentally released into aquatic ecosystems. The data also suggest that the comet assay may be used in biomonitoring to determine 8-HOQ genotoxicity and hepatic GPT and GOT activities may be potential biomarkers of physiological toxicity. PMID:26067700

  13. Combined optical gain and degradation measurements in DCM2 doped Tris-(8-hydroxyquinoline)aluminum thin-films

    NASA Astrophysics Data System (ADS)

    Čehovski, Marko; Döring, Sebastian; Rabe, Torsten; Caspary, Reinhard; Kowalsky, Wolfgang

    2016-04-01

    Organic laser sources offer the opportunity to integrate flexible and widely tunable lasers in polymer waveguide circuits, e.g. for Lab-on-Foil applications. Therefore, it is necessary to understand gain and degradation processes for long-term operation. In this paper we address the challenge of life-time (degradation) measurements of photoluminescence (PL) and optical gain in thin-film lasers. The well known guest-host system of aluminum-chelate Alq3 (Tris-(8-hydroxyquinoline)aluminum) as host material and the laser dye DCM2 (4-(Dicyanomethylene)-2- methyl-6-julolidyl-9-enyl-4H-pyran) as guest material is employed as laser active material. Sample layers have been built up by co-evaporation in an ultrahigh (UHV) vacuum chamber. 200nm thick films of Alq3:DCM2 with different doping concentrations have been processed onto glass and thermally oxidized silicon substrates. The gain measurements have been performed by the variable stripe length (VSL) method. This measurement technique allows to determine the thin-film waveguide gain and loss, respectively. For the measurements the samples were excited with UV irradiation (ƛ = 355nm) under nitrogen atmosphere by a passively Q-switched laser source. PL degradation measurements with regard to the optical gain have been done at laser threshold (approximately 3 μJ/cm2), five times above laser threshold and 10 times above laser threshold. A t50-PL lifetime of > 107 pulses could be measured at a maximum excitation energy density of 32 μJ/cm2. This allows for a detailed analysis of the gain degradation mechanism and therefore of the stimulated cross section. Depending on the DCM2 doping concentration C the stimulated cross section was reduced by 35 %. Nevertheless, the results emphasizes the necessity of the investigation of degradation processes in organic laser sources for long-term applications.

  14. 8-Hydroxyquinoline Schiff-base compounds as antioxidants and modulators of copper-mediated Aβ peptide aggregation.

    PubMed

    Gomes, Luiza M F; Vieira, Rafael P; Jones, Michael R; Wang, Michael C P; Dyrager, Christine; Souza-Fagundes, Elaine M; Da Silva, Jeferson G; Storr, Tim; Beraldo, Heloisa

    2014-10-01

    One of the hallmarks of Alzheimer's disease (AD) in the brain are amyloid-β (Aβ) plaques, and metal ions such as copper(II) and zinc(II) have been shown to play a role in the aggregation and toxicity of the Aβ peptide, the major constituent of these extracellular aggregates. Metal binding agents can promote the disaggregation of Aβ plaques, and have shown promise as AD therapeutics. Herein, we describe the syntheses and characterization of an acetohydrazone (8-H2QH), a thiosemicarbazone (8-H2QT), and a semicarbazone (8-H2QS) derived from 8-hydroxyquinoline. The three compounds are shown to be neutral at pH7.4, and are potent antioxidants as measured by a Trolox Equivalent Antioxidant Capacity (TEAC) assay. The ligands form complexes with Cu(II), 8-H2QT in a 1:1 metal:ligand ratio, and 8-H2QH and 8-H2QS in a 1:2 metal:ligand ratio. A preliminary aggregation inhibition assay using the Aβ1-40 peptide showed that 8-H2QS and 8-H2QH inhibit peptide aggregation in the presence of Cu(II). Native gel electrophoresis/Western blot and TEM images were obtained to give a more detailed picture of the extent and pathways of Aβ aggregation using the more neurotoxic Aβ1-42 in the presence and absence of Cu(II), 8-H2QH, 8-H2QS and the drug candidate PBT2. An increase in the formation of oligomeric species is evident in the presence of Cu(II). However, in the presence of ligands and Cu(II), the results match those for the peptide alone, suggesting that the ligands function by sequestering Cu(II) and limiting oligomer formation in this assay. PMID:25019963

  15. 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 μM 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

  16. 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 = 3–6% using cold vapor atomic fluorescence spectroscopy (CV-AFS) with a preconcentration factor greater than 250. PMID:24459417

  17. Improved efficiency in organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium doped 9,10-di(2-naphthyl) anthracene emission layer

    NASA Astrophysics Data System (ADS)

    Yuan, Yongbo; Lian, Jiarong; Li, Shuang; Zhou, Xiang

    2008-11-01

    Organic light-emitting devices with tris-(8-hydroxyquinoline) aluminium (Alq3) doped 9,10-di(2-naphthyl) anthracene (ADN) as the emission layer (EML) have been fabricated. These devices exhibit efficient electroluminescence (EL) originated from the Alq3 as the mass ratio of Alq3 to ADN was varied from 1 to 50%. The devices with an optimal Alq3 mass ratio of 10 wt% showed a peak EL efficiency and an external quantum efficiency of 9.1 cd A-1 and 2.7% at a luminance of 1371 cd m-2, which is improved by a factor of 2.2 compared with 4.1 cd A-1 and 1.2% at a luminance of 3267 cd m-2 for conventional devices with the neat Alq3 as the EML.

  18. 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.; Drew, A. J.; Gillin, W. P.

    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.

  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 6.0±0.1 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 1.0×10(-11) to 1.2×10(-5) M Al(III) in semi-logarithmic scale, with a detection limit of 8.32×10(-12) M and mean relative standard deviation of 3.2% for n=3 at 1.0×10(-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. Detection of charge storage on molecular thin films of tris(8-hydroxyquinoline) aluminum (Alq3) by Kelvin force microscopy: a candidate system for high storage capacity memory cells.

    PubMed

    Paydavosi, Sarah; Aidala, Katherine E; Brown, Patrick R; Hashemi, Pouya; Supran, Geoffrey J; Osedach, Timothy P; Hoyt, Judy L; Bulović, Vladimir

    2012-03-14

    Retention and diffusion of charge in tris(8-hydroxyquinoline) aluminum (Alq(3)) molecular thin films are investigated by injecting electrons and holes via a biased conductive atomic force microscopy tip into the Alq(3) films. After the charge injection, Kelvin force microscopy measurements reveal minimal changes with time in the spatial extent of the trapped charge domains within Alq(3) films, even for high hole and electron densities of >10(12) cm(-2). We show that this finding is consistent with the very low mobility of charge carriers in Alq(3) thin films (<10(-7) cm(2)/(Vs)) and that it can benefit from the use of Alq(3) films as nanosegmented floating gates in flash memory cells. Memory capacitors using Alq(3) molecules as the floating gate are fabricated and measured, showing durability over more than 10(4) program/erase cycles and the hysteresis window of up to 7.8 V, corresponding to stored charge densities as high as 5.4 × 10(13) cm(-2). These results demonstrate the potential for use of molecular films in high storage capacity nonvolatile memory cells. PMID:22332966

  1. 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)

    Çolak, Alper Tolga; Çolak, Ferdağ; Yeşilel, Okan Zafer; Büyükgüngör, 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⋯π 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.

  2. TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: Key role of the excited-state hydrogen-bond strengthening

    NASA Astrophysics Data System (ADS)

    Lan, Sheng-Cheng; Liu, Yu-Hui

    2015-03-01

    Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been employed to study the excited-state intramolecular proton transfer (ESIPT) reaction of 8-hydroxyquinoline (8HQ). Infrared spectra of 8HQ in both the ground and the lowest singlet excited states have been calculated, revealing a red-shift of the hydroxyl group (-OH) stretching band in the excited state. Hence, the intramolecular hydrogen bond (O-H···N) in 8HQ would be significantly strengthened upon photo-excitation to the S1 state. As the intramolecular proton-transfer reaction occurs through hydrogen bonding, the ESIPT reaction of 8HQ is effectively facilitated by strengthening of the electronic excited-state hydrogen bond (O-H···N). As a result, the intramolecular proton-transfer reaction would occur on an ultrafast timescale with a negligible barrier in the calculated potential energy curve for the ESIPT reaction. Therefore, although the intramolecular proton-transfer reaction is not favorable in the ground state, the ESIPT process is feasible in the excited state. Finally, we have identified that radiationless deactivation via internal conversion (IC) becomes the main dissipative channel for 8HQ by analyzing the energy gaps between the S1 and S0 states for the enol and keto forms.

  3. A Fluorescent Sensor for Al(III) and Colorimetric Sensor for Fe(III) and Fe(II) Based on a Novel 8-Hydroxyquinoline Derivative.

    PubMed

    Lashgari, Negar; Badiei, Alireza; Mohammadi Ziarani, Ghodsi

    2016-09-01

    A novel 8-hydroxyquinoline-based fluorescent and colorimetric chemosensor was designed, synthesized and fully characterized. The sensor showed high selectivity and sensitivity toward Al(3+) over other tested cations in EtOH/H2O (1:99, v/v) medium. The increase in fluorescence intensity was linearly proportional to the concentration of Al(3+) with a detection limit of 7.38 × 10(-6) M. Moreover, the sensor exhibited an obvious color change from yellow to black in the presence of Fe(2+) and Fe(3+) in EtOH/THF (99:1, v/v) solution. The absorbance changes showed a linear response to iron ions with the detection limits of 4.24 × 10(-7) M and 5.60 × 10(-7) M for Fe(2+) and Fe(3+), respectively. Thus, this chemosensor provides a novel approach for selectively recognition of Al(3+), Fe(3+) and Fe(2+) among environmentally relevant metal ions. PMID:27444961

  4. 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, Letícia Martins; Lage, Daniela Pagliara; Mesquita, Juliana Tonini; Salles, Beatriz Cristina Silveira; Lavorato, Stefânia Neiva; Menezes-Souza, Daniel; Roatt, Bruno Mendes; Alves, Ricardo José; Tavares, Carlos Alberto Pereira; Tempone, André 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

  5. Single-Molecule-Magnet Behavior and Fluorescence Properties of 8-Hydroxyquinolinate Derivative-Based Rare-Earth Complexes.

    PubMed

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

    2016-09-01

    Five tetranuclear rare-earth complexes, [RE4(dbm)4L6(μ3-OH)2] [HL = 5- (4-fluorobenzylidene)-8-hydroxylquinoline; dbm = 1,3-diphenyl-1,3-propanedione; RE = Y (1), Eu (2), Tb (3), Dy (4), Lu (5)], have been synthesized and completely characterized. The X-ray structural analyses show that each [RE4] complex is of typical butterfly or rhombus topology. Each RE(III) center exists in an eight-coordinated square-antiprism environment. Magnetic studies reveal that complex 4 displays single-molecule-magnet behavior below 10 K under a zero direct-current field, with an effective anisotropy barrier (ΔE/kB = 56 K). The fluorescence properties of complexes 1-5 were also investigated. Complexes 2-4 showed their characteristic peaks for the corresponding RE(III) center, while complexes 1 and 5 showed the same emission peaks with the ligand when they were excited at the same wavelength. PMID:27560459

  6. 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

  7. JLK1486, a Bis 8-Hydroxyquinoline-Substituted Benzylamine, Displays Cytostatic Effects in Experimental Gliomas through MyT1 and STAT1 Activation and, to a Lesser Extent, PPARγ Activation12

    PubMed Central

    Bruyère, Céline; Madonna, Sébastien; Van Goietsenoven, Gwendoline; Mathieu, Véronique; Dessolin, Jean; Kraus, Jean-Louis; Lefranc, Florence; Kiss, Robert

    2011-01-01

    Gliomas account for 5% to 7% of all solid cancers in adults and up to 30% of solid cancers in children; glioblastomas are the most malignant type of glioma and often have dismal prognoses. The alkylating agent temozolomide provides the greatest chemotherapeutic benefits currently available; however, glioblastoma patients cannot be cured. Novel drugs that efficiently combat glioblastomas are therefore of great interest. We report here that JLK1486, an 8-hydroxyquinoline-substituted benzylamine, could represent a novel chemical scaffold to reach this goal. Indeed, JLK1486 mediated anticancer activity in vivo (through intravenous as well as oral routes of administrations) in an orthotopic xenograft model and displayed efficiency similar to that of temozolomide. The therapeutic benefits of JLK1486 seem to relate to its ability to activate various transcription factors (including Myt1, STAT1, and peroxisome proliferator-activated receptor γ) in glioma cells. These transcription factors are implicated in the control of glioma cell proliferation, and the resultant global effect of their activation by JLK1486 was cytostatic, not cytotoxic. Thus, the current study opens the door for the development of novel compounds to combat glioblastoma using 8-hydroxyquinoline benzylamine analogs. PMID:21633668

  8. 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

  9. 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

  10. 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

  11. CoFe2O4 nano-particles functionalized with 8-hydroxyquinoline for dispersive solid-phase micro-extraction and direct fluorometric monitoring of aluminum in human serum and water samples.

    PubMed

    Abdolmohammad-Zadeh, Hossein; Rahimpour, Elaheh

    2015-06-30

    A simple dispersive solid-phase micro-extraction method based on CoFe2O4 nano-particles (NPs) functionalized with 8-hydroxyquinoline (8-HQ) with the aid of sodium dodecyl sulfate (SDS) was developed for separation of Al(III) ions from aqueous solutions. Al(III) ions are separated at pH 7 via complex formation with 8-HQ using the functionalized CoFe2O4 nano-particles sol solution as a dispersed solid-phase extractor. The separated analyte is directly quantified by a spectrofluorometric method at 370nm excitation and 506nm emission wavelengths. A comparison of the fluorescence of Al(III)-8-HQ complex in bulk solution and that of Al(III) ion interacted with 8-HQ/SDS/CoFe2O4 NPs revealed a nearly 5-fold improvement in intensity. The experimental factors influencing the separation and in situ monitoring of the analyte were optimized. Under these conditions, the calibration graph was linear in the range of 0.1-300ngmL(-1) with a correlation coefficient of 0.9986. The limit of detection and limit of quantification were 0.03ngmL(-1) and 0.10ngmL(-1), respectively. The inter-day and intra-day relative standard deviations for six replicate determinations of 150ngmL(-1) Al(III) ion were 2.8% and 1.7%, respectively. The method was successfully applied to direct determine Al(III) ion in various human serum and water samples. PMID:26041520

  12. 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.

  13. Structural evolution in the electric utility industry

    SciTech Connect

    Kahn, E.P. )

    1990-01-04

    This article anticipates (and discusses) the changes in structure, planning, and operations that will be thrust upon the electric utility industry by the emergency of competition, which is assumed to have reached nearly irreversible momentum. Some of them present problems for solution. The significance of others is uncertain from a public interest standpoint, or that of cost and reliability of service for consumers. The author also considers the possibility that the decentralization which accompanies increased competition initially will ultimately eventuate in a greater degree of consolidation in this industry.

  14. Ventricular fiber optimization utilizing the branching structure.

    PubMed

    Washio, Takumi; Yoneda, Kazunori; Okada, Jun-Ichi; Kariya, Taro; Sugiura, Seiryo; Hisada, Toshiaki

    2016-07-01

    In this paper, we propose an algorithm that optimizes the ventricular fiber structure of the human heart. A number of histological studies and diffusion tensor magnetic resonance imaging analyses have revealed that the myocardial fiber forms a right-handed helix at the endocardium. However, the fiber formation changes its orientation as a function of transmural depth, becoming a left-handed helix at the epicardium. To determine how nature can construct such a structure, which obtains surprising pumping performance, we introduce macroscopic modeling of the branching structure of cardiac myocytes in our finite element ventricular model and utilize this in an optimization process. We put a set of multidirectional fibers around a central fiber orientation at each point of the ventricle walls and simulate heartbeats by generating contraction forces along each of these directions. We examine two optimization processes using the workloads or impulses measured in these directions to update the central fiber orientation. Both processes improve the pumping performance towards an optimal value within several tens of heartbeats, starting from an almost-flat fiber orientation. However, compared with the workload optimization, the impulse optimization produces better agreement with experimental studies on transmural changes of fiber helix angle, streamline patterns of characteristic helical structures, and temporal changes in strain. Furthermore, the impulse optimization is robust under geometrical changes of the heart and tends to homogenize various mechanical factors such as the stretch and stretch rate along the fiber orientation, the contraction force, and energy consumption. Copyright © 2015 John Wiley & Sons, Ltd. PMID:26453026

  15. 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.

  16. 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.…

  17. Improving resource utilization in hierarchy network by optimizing topological structure

    NASA Astrophysics Data System (ADS)

    Liu, G. L.; Peng, H. P.; Li, L. X.; Sun, F.; Yang, Y. X.

    2012-02-01

    We study the performance of peer-to-peer (P2P) network built on the top of hierarchy topological structure of local area networks (LAN). We find that the topological structure of the underlying physical network has significant impacts on the resource utilization of the P2P overlay network. The larger size of the physical network is, the lower resource utilization of the overlay network is. Through optimizing the topological structure of physical network, we propose two novel schemes to improve the resource utilization. The experimental results show that in any case the resource utilization of P2P network can always achieve 100% by these two schemes.

  18. Large platform assembler non-structural system requirements. [installing utilities

    NASA Technical Reports Server (NTRS)

    Vernon, R. M.

    1981-01-01

    The impact on the design and operation of an automated structure assembler of requiring the assembler to also install the platform electrical and/or fluid utility circuits was examined. Possible utility requirements were defined and examined in conjunction with the automated assembler. Preliminary concepts are presented which permit the electrical and fluid circuits to be installed with the structural elements.

  19. 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.

  20. Proceedings: Avian Interactions with Utility Structures. International Workshop

    SciTech Connect

    Not Available

    1993-12-01

    The first international workshop on Avian Interactions with Utility Structures featured an exchange of information on the impact of utility structures on avian populations. EPRI cosponsored the workshop with the Avian Power Line Interaction Committee (APLIC), formed in 1988 and designed to share data and experience regarding avian interactions with utility structures. The workshop -- held September 13--16, 1992 in Miami-welcomed engineers, scientists, academic researchers, and representatives from conservation and special interest groups. Attendees from 10 countries presented 28 papers that provide a basis for understanding and establishing new research directions to reduce bird mortality due to collisions and electrocutions. Papers highlighted advances in technology and analysis tools, the geographic extent of the problem, and regulatory needs of utilities and other interested parties involved in preventing and mitigating avian/power line interaction problems.

  1. 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.

  2. 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.

  3. Dynamic insight into protein structure utilizing red edge excitation shift.

    PubMed

    Chattopadhyay, Amitabha; Haldar, Sourav

    2014-01-21

    in the protein. In this Account, we focus on REES to monitor organization and dynamics of soluble and membrane proteins utilizing intrinsic protein fluorescence. We discuss here the application of REES in various conformations of proteins. While application of REES to proteins in native conformation has been in use for a long time, our work highlights the potential of this approach in case of molten globule and denatured conformations. For example, we have demonstrated the presence of residual structure, that could not be detected using other methods, by REES of denatured spectrin. Given the functional relevance of such residual structures, these results are very far reaching. We discuss here the application of REES to molten globule conformation and to the green fluorescent protein (GFP). The case of GFP is particularly interesting since the dipolar field in this case is provided by the protein matrix itself and not confined water. We envision that future applications of REES in proteins will involve generating a dynamic hydration map of the protein, which would allow us to explore protein function in terms of local dynamics and hydration. PMID:23981188

  4. Utilization

    NASA Astrophysics Data System (ADS)

    Lu, Guozhi; Zhang, Ting-An; Zhu, Xiaofeng; Liu, Yan; Wang, Yanxiu; Guo, Fangfang; Zhao, Qiuyue; Zheng, Chaozhen

    2014-09-01

    In this study, a calcification-carbonation method is proposed to change the equilibrium structure of red mud produced from the Bayer process. The thermodynamics of both calcification and carbonation processes has been elucidated. In addition, the non-isothermal kinetics involved in the calcification process and the effects of different parameters on the hydrogarnet synthesis and carbonation decomposition are experimentally investigated using pure reagents. The results indicate that through a two-step carbonation treatment of calcified slag by the new method, the mass ratio of alumina to silica ( A/S) of the modified red mud has decreased to 0.44 and the Na2O content drops to 0.12 wt.% at the carbonation temperature of 120°C under the CO2 pressure of 1.2 MPa. The newly modified red mud could be directly used in the cement industry.

  5. The Impact of Academic Program Structure on Instructional Space Utilization.

    ERIC Educational Resources Information Center

    Mason, Thomas R.

    Ten units in higher education employing computer techniques which used a key measure relecting the relative degree of flexibility available to an institution for scheduling its instructional program are reported upon. Other measures which have been employed are described in the form of a short history of space utilization in higher education and…

  6. Structure, constitution and utilization of low rank Indian coal

    SciTech Connect

    Iyengar, M.S.; Iyengar, V.A.

    1996-12-31

    This paper briefly reviews the work done on lignite and sub-bituminous coals. Surface area and moisture adsorption dependency on functional group is described. The role of hydrogen bonding in the briquetting of lignite and of alkyl groups in inducing caking properties are discussed. The dualistic behavior of abnormal coals as both a low and high rank coal is also discussed in relation to the nature of their sulphur groups. On the utilization side, processes are described for: (1) Utilization of non-caking coal in the reduction of iron ore. Coal is first briquetted using a lime-tar binder. It is then carbonized for reducing iron ore. The bar is recovered and recycled. (2) Production of carbon black from low rank coals. In this process, coal is carbonized at high temperature in a fluidized bed. Carbon black, for tire industry, is obtained with char as by-product. (3) Utilization of flue gases of industry is also discussed. In this new approach, the flue gas is reduced to synthesis gas by additional fuel and the inevitable surplus heat. The viability of the process is illustrated by details of a recent study in a cement plant. In addition to the above, the implication of recycling flue gas in automobile engines to make them more environment friendly and cost effective, is also discussed.

  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. Criteria for recognition of bedding structures utilizing imaging devices

    SciTech Connect

    Fett, T. )

    1990-09-01

    Wireline logs, especially dipmeter imaging devices, can bridge the gap between the wealth of outcrop and recent information about bedding structures and the immense data base available from mineral industry boreholes. The recognition of bedding structures as observed in ancient and recent exposures is not always straightforward with wireline measurements. A major strength of outcrop studies is their two- and sometimes three-dimensional aspect and the availability of very fine details. A strength of wireline measurements is their great abundance. Wireline logs provide a variety of petrophysical information, including lithology The dipmeter provides much finer detail (down to 1 cm or less in the case of imaging devices) and the information is three-dimensional. With remarkable detail, the microresistivity imaging devices can delineate and precisely orient bedding surfaces and hence bedding structures. The nature of contacts (abrupt, tangential) and of surfaces (planar, wavy), as well as the size and shape of objects are routinely available. Lithology, texture, and other sedimentary features such as cross-bedding (trough and planar), slumping, bioturbation, graded beds, erosional contacts, lag, etc., are seen. Image workstations are greatly facilitating the recognition of bedding structures from wireline microresistivity images. The synergistic merging of the wealth of information available from field studies with this type of quantitative detail, available from boreholes, offers great opportunity for defining sedimentary structures and depositional environments and hence for delineating reservoirs.

  9. Materials and structure synergistic with in-space materials utilization

    NASA Astrophysics Data System (ADS)

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

    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.

  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. 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.

  12. Reading Ability and the Utilization of Orthographic Structure in Reading. Technical Report No. 515.

    ERIC Educational Resources Information Center

    Massaro, Dominic W.; Taylor, Glen A.

    Previous research has demonstrated that readers utilize orthographic structure in their perceptual recognition of letter strings. Two experiments were conducted to assess whether this utilization varied with reading ability. Anagrams of words were made to create strings that orthogonally combined high and low single letter positional frequency and…

  13. 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.

  14. Investigation of Coronal Large Scale Structures Utilizing Spartan 201 Data

    NASA Technical Reports Server (NTRS)

    Guhathakurta, Madhulika

    1998-01-01

    Two telescopes aboard Spartan 201, a small satellite has been launched from the Space Shuttles, on April 8th, 1993, September 8th, 1994, September 7th, 1995 and November 20th, 1997. The main objective of the mission was to answer some of the most fundamental unanswered questions of solar physics-What accelerates the solar wind and what heats the corona? The two telescopes are 1) Ultraviolet Coronal Spectrometer (UVCS) provided by the Smithsonian Astrophysical Observatory which uses ultraviolet emissions from neutral hydrogen and ions in the corona to determine velocities of the coronal plasma within the solar wind source region, and the temperature and density distributions of protons and 2) White Light Coronagraph (WLC) provided by NASA's Goddard Space Flight Center which measures visible light to determine the density distribution of coronal electrons within the same region. The PI has had the primary responsibility in the development and application of computer codes necessary for scientific data analysis activities, end instrument calibration for the white-light coronagraph for the entire Spartan mission. The PI was responsible for the science output from the WLC instrument. PI has also been involved in the investigation of coronal density distributions in large-scale structures by use of numerical models which are (mathematically) sufficient to reproduce the details of the observed brightness and polarized brightness distributions found in SPARTAN 201 data.

  15. Construction of DNA logic gates utilizing a H+/Ag+ induced i-motif structure.

    PubMed

    Shi, Yunhua; Sun, Hongxia; Xiang, Junfeng; Chen, Hongbo; Yang, Qianfan; Guan, Aijiao; Li, Qian; Yu, Lijia; Tang, Yalin

    2014-12-18

    A simple technology to construct diverse DNA logic gates (OR and INHIBIT) has been designed utilizing a H(+) and/or Ag(+) induced i-motif structure. The logic gates are easily controlled and also show a real time response towards inputs. The research provides a new insight for designing DNA logic gates using an i-motif DNA structure. PMID:25349963

  16. Family Structure Types and Adequate Utilization of Antenatal Care in Kenya.

    PubMed

    Owili, Patrick Opiyo; Muga, Miriam Adoyo; Chou, Yiing-Jenq; Hsu, Yi-Hsin Elsa; Huang, Nicole; Chien, Li-Yin

    2016-01-01

    Features of the health care delivery system may not be the only expounding factors of adequate utilization of antenatal care among women. Other social factors such as the family structure and its environment contribute toward pregnant women's utilization of antenatal care. An understanding of how women in different family structure types and social groups use basic maternal health services is important toward developing and implementing maternal health care policy in the post-Millennium Development Goal era, especially in the sub-Saharan Africa where maternal mortality still remains high. PMID:27214674

  17. 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.

  18. Structure and Patterns of Service Utilization by Elderly Persons with Mental Retardation.

    ERIC Educational Resources Information Center

    Seltzer, Marsha Mailick

    1988-01-01

    The study examined the structure and patterns of service utilization of all elderly persons (N=1911) receiving state-supported mental retardation services in Massachusetts in 1987. Increased use of services and growing numbers of increasingly frail elderly people were noted. Qualitative data concerning age-integrated, age-specialized, and generic…

  19. 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,…

  20. 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.

  1. Radiation-tolerant 50MHz bulk CMOS VLSI circuits utilizing radiation-hard structure NMOS transistors

    SciTech Connect

    Hatano, H.; Takatsuka

    1986-10-01

    A radiation-tolerant, high speed, bulk CMOS VLSI circuit design, utilizing a new NMOS structure, has been investigated, based on ..gamma..-ray irradiation experimental results for 2 ..mu..m shift registers. By utilizing 60-bit clocked gate and transfer gate static shift register circuits, the usefulness of radiation-hard NMOS structure and circuit design parameter optimization has been confirmed experimentally, showing 50 MHZ operation CMOS circuits at 5 V supply voltage after 1 x 10/sup 5/ rads (Si) irradiation. The limitations of dynamic circuits in radiation-tolerant circuit designs have also been shown, using 120-bit dynamic shift register circuits. Based on the above results, radiation-tolerant, high-performance, bulk CMOS VLSI circuit designs are discussed.

  2. Factors shaping e-feedback utilization following electronic Objective Structured Clinical Examinations.

    PubMed

    Ashby, Samantha E; Snodgrass, Suzanne H; Rivett, Darren A; Russell, Trevor

    2016-09-01

    The development of student-practitioners' practical clinical skills is essential in health professional education. Objective Structured Clinical Examinations are central to the assessment of students performing clinical procedures on simulated patients (actors). While feedback is considered core to learning providing timely, individualised student OSCE feedback is difficult. This study explored the perceptions of students about the multiple factors which shape the utility of e-feedback following an electronic Objective Structured Clinical Examinations, which utilized iPad and specialised software. The e-feedback was trialled in four courses within occupational therapy and physiotherapy pre-professional programs with a cohort of 204 students. Evaluation of student perceptions about feedback was collected using two surveys and eight focus groups. This data showed three factors shaped perceptions of the utility of e- Objective Structured Clinical Examinations feedback: 1) timely accessibility within one day of the assessment, 2) feedback demonstrating examiners' academic literacy and 3) feedback orientated to ways of improving future performance of clinical skills. The study found training in the provision of feedback using IPads and software is needed for examiners to ensure e-feedback meets students' needs for specific, future-oriented e-feedback and institutional requirements for justification of grades. PMID:27029015

  3. The impact of deregulation on the board structure of electric utilities

    NASA Astrophysics Data System (ADS)

    Wollan, Patricia L.

    This study analyzes the impact of deregulation on board structure by comparing the boards of electric utilities before and after the passage of the Energy Policy Act (EPACT). In addition, the study assesses whether board structure has an impact on firm performance during the period of transition. I find that electric utilities do change their board structure in response to their new operating environment. Boards are smaller and more independent in the later period. Also, even though the number of outside directors stays the same, there are notable changes in the character of these directors. The number of executives from large firms and the number of directors with political backgrounds are both significantly greater after the passage of EPACT. These results are consistent with Williamson's hypothesis that firms will change the composition and character of their board in response to a change in the firm's operating environment. Further investigation reveals that even though utilities' boards change following deregulation, the pace of change is slow, and during the four-year period immediately following the passage of EPACT firm performance is related to board character. These results suggest that while firms reconfigure their boards in response to a change in their operating environment, there may be impediments that prevent them from adjusting their boards too quickly.

  4. 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.

  5. 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.

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

    NASA Astrophysics Data System (ADS)

    Morton, Douglas C.; Rubio, Jérémy; Cook, Bruce D.; Gastellu-Etchegorry, Jean-Philippe; Longo, Marcos; Choi, Hyeungu; Hunter, Maria; Keller, Michael

    2016-04-01

    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.

  7. 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.

  8. 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

  9. 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.

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

    NASA Technical Reports Server (NTRS)

    Johnson, R. W.; Thomson, L. W.; Wilson, R. D.

    1985-01-01

    The potential for utilizing advanced composites in fuselage structures of large transports was assessed. Six fuselage design concepts were selected and evaluated in terms of structural performance, weight, and manufacturing development and costs. Two concepts were selected that merit further consideration for composite fuselage application. These concepts are: (1) a full depth honeycomb design with no stringers, and (2) an I section stringer stiffened laminate skin design. Weight reductions due to applying composites to the fuselages of commercial and military transports were calculated. The benefits of applying composites to a fleet of military transports were determined. Significant technology issues pertinent to composite fuselage structures were identified and evaluated. Program plans for resolving the technology issues were developed.

  11. 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.

  12. 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.

  13. Costs in electric utilities in the US: A comparison of publicly-owned and privately-owned utilities in different market structures

    SciTech Connect

    Koh, D.S.

    1992-01-01

    This dissertation focuses the effects of ownership and market structure on cost in electric utilities in the U.S. and consists of three parts. The first part is a brief survey of the literature on the relative efficiency of the different types of ownership and on the relative importance of a competitive environment in attaining a successful privatization program. In the second part, the authors construct a theoretical and empirical model which can consider the relative efficiency of publicly-owned and privately-owned utilities allowing simultaneously for the impacts of ownership type, market structure and regulation. The concept is employed of shadow price rather that actual price to reflect the effect of government's regulation. The method of data construction and empirical results are presented in the third part. The estimation results indicate that privately-owned utilities are more cost efficient than publicly-owned utilities at very large output levels and are less efficient at very small output levels. Contrary to the authors' expectations, the estimates of parameters reflecting different market structure are insignificant. Estimates were also produced of economics of scale, demand, and elasticity of substitution.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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 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

  19. 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 Δ1-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 Å 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 Å. Within each protomer, the PRODH and P5CDH active sites face each other at a distance of 41 Å and are connected by a large, irregularly shaped cavity. Kinetics measurements show that glutamate production occurs without a lag phase, suggesting that the intermediate, Δ1-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 Δ1-pyrroline-5-carboxylate to glutamate semialdehyde and a protected conduit for the transport of glutamate semialdehyde to the P5CDH active site. PMID:20133651

  20. 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

  1. 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.

  2. SDOCKER: a method utilizing existing X-ray structures to improve docking accuracy.

    PubMed

    Wu, Guosheng; Vieth, Michal

    2004-06-01

    This paper introduces a new strategy for structure-based drug design that combines high-quality docking with data from existing ligand-protein cocrystal X-ray structures. The main goal of SDOCKER, a new algorithm that implements this strategy, is docking accuracy improvement. In this new paradigm, simulated annealing molecular dynamics is used for conformational sampling and optimization and an additional similarity force is applied on the basis of the positions of ligands from X-ray data that focus the sampling on relevant regions of the active site. Because the structural information from both the ligand and protein active site is included, this approach is more effective in finding the optimal conformation for a ligand-protein complex than the classical docking or similarity overlays. Interestingly, it was found that a 3D similarity-only approach gives comparable docking accuracy to the regular force field approach used in classical docking, given the final structures are minimized in the presence of the protein. The combination of both, as implemented in SDOCKER, is shown here to be more accurate. A significant improvement in docking accuracy has been observed for three different test systems. Specifically an improvement of 10%, 17.5%, and 10% is seen for 37 HIV-1 protease, 32 thrombin, and 23 CDK2 ligands, respectively, compared to docking using the force field alone. In addition, SDOCKER's accuracy performance dependence on the similarity template is discussed. The strategy of utilizing existing ligand X-ray information should prove effective in light of the multitude of structures available from structural genomics approaches. PMID:15163194

  3. Development of self-actuated in-flight de-icing technology utilizing smart structure concepts

    NASA Astrophysics Data System (ADS)

    Venna, Suresh Venkata

    Ice accretions on aircraft components have severe and sometimes fatal effects. Aircraft wings are one of the many components that are prone to severe ice accretions. The de-icing/anti-icing technologies currently being used are bulky, cover the airfoil surface and consume high energies. Addressing these drawbacks, the current study proposes a novel de-icing technique utilizing lightweight piezoelectric actuators to break the weak adhesive shear bond of ice-substrate interface. When structures are excited at their natural frequencies, high shear stresses are generated in certain modes. These high shear stresses can break the weak adhesive shear bond of ice-substrate interface with minimal energy inputs. The proposed de-icing technique is applied on two structures, (1) a laminated composite cantilever rectangular plate, and (2) a prototyped aluminum leading edge. Theoretical investigations are fist performed to determine the frequencies and modes in which high amount of shear stresses and debonding of the ice layers occurred. After determining optimal actuator locations, experimental set-up is designed and structures are built. Experimentation of the proposed technique is carried out inside a freezer by forming two types of ice layers on the surfaces and exciting the structures to the determined frequencies. Testing is carried out at five different temperatures ranging from 5°F to 25°F. De-icing is observed for both types of ice layers in both the structures. While the average de-icing times increased with decreased temperatures, longer de-icing times are noted for the aluminum leading edge. In addition, energy requirements of the piezoelectric actuators to actuate an adaptive composite wing structure are evaluated and a composite material is designed to improve deicing of the leading edge.

  4. 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.

  5. 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 Δ(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 Δ(1)-pyrroline-5-carboxylate/glutamate-γ-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

  6. 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 Δ1-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 Δ1-pyrroline-5-carboxylate/glutamate-γ-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 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 Å 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

  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. 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

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

    PubMed Central

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

    2015-01-01

    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

  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, Andreá; 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. The validity and clinical utility of structured diagnoses of antisocial personality disorder with forensic patients.

    PubMed

    Marin-Avellan, Luisa E; McGauley, Gillian A; Campbell, Colin D; Fonagy, Peter

    2014-08-01

    Current DSM-based instruments for personality disorders (PDs) limit the investigation of the course and outcome of treatment of these disorders. This study examined the validity of the Shedler-Westen Assessment Procedure-200 (SWAP-200) and the Structured Clinical Interview for DSM-IV Axis II PD (SCID-II) in a sample of forensic PD patients. Results based on 66 participants indicated that the SWAP-200 Q-factors reduced the frequency of diagnostic comorbidity of PD categories by half compared with the SCID-II. Only the SWAP-200's Antisocial PD category showed good convergent and discriminant validity with respect to other instruments describing aspects of PD. The validity of the cutoff score for severe antisocial PD was confirmed, and this category predicted severe incidents in the hospital at 1 year of follow-up. A violence risk scale was constructed, which differentiated violent and nonviolent offenders. The results support the validity of the SWAP-200 and its potential clinical utility with forensic PD patients. PMID:24511901

  13. Coding exon-structure aware realigner (CESAR) utilizes genome alignments for accurate comparative gene annotation

    PubMed Central

    Sharma, Virag; Elghafari, Anas; Hiller, Michael

    2016-01-01

    Identifying coding genes is an essential step in genome annotation. Here, we utilize existing whole genome alignments to detect conserved coding exons and then map gene annotations from one genome to many aligned genomes. We show that genome alignments contain thousands of spurious frameshifts and splice site mutations in exons that are truly conserved. To overcome these limitations, we have developed CESAR (Coding Exon-Structure Aware Realigner) that realigns coding exons, while considering reading frame and splice sites of each exon. CESAR effectively avoids spurious frameshifts in conserved genes and detects 91% of shifted splice sites. This results in the identification of thousands of additional conserved exons and 99% of the exons that lack inactivating mutations match real exons. Finally, to demonstrate the potential of using CESAR for comparative gene annotation, we applied it to 188 788 exons of 19 865 human genes to annotate human genes in 99 other vertebrates. These comparative gene annotations are available as a resource (http://bds.mpi-cbg.de/hillerlab/CESAR/). CESAR (https://github.com/hillerlab/CESAR/) can readily be applied to other alignments to accurately annotate coding genes in many other vertebrate and invertebrate genomes. PMID:27016733

  14. Coding exon-structure aware realigner (CESAR) utilizes genome alignments for accurate comparative gene annotation.

    PubMed

    Sharma, Virag; Elghafari, Anas; Hiller, Michael

    2016-06-20

    Identifying coding genes is an essential step in genome annotation. Here, we utilize existing whole genome alignments to detect conserved coding exons and then map gene annotations from one genome to many aligned genomes. We show that genome alignments contain thousands of spurious frameshifts and splice site mutations in exons that are truly conserved. To overcome these limitations, we have developed CESAR (Coding Exon-Structure Aware Realigner) that realigns coding exons, while considering reading frame and splice sites of each exon. CESAR effectively avoids spurious frameshifts in conserved genes and detects 91% of shifted splice sites. This results in the identification of thousands of additional conserved exons and 99% of the exons that lack inactivating mutations match real exons. Finally, to demonstrate the potential of using CESAR for comparative gene annotation, we applied it to 188 788 exons of 19 865 human genes to annotate human genes in 99 other vertebrates. These comparative gene annotations are available as a resource (http://bds.mpi-cbg.de/hillerlab/CESAR/). CESAR (https://github.com/hillerlab/CESAR/) can readily be applied to other alignments to accurately annotate coding genes in many other vertebrate and invertebrate genomes. PMID:27016733

  15. Evaluating safety risk of locating above ground utility structures in the highway right-of-way.

    PubMed

    El Esawey, Mohamed; Sayed, Tarek

    2012-11-01

    Roadside safety has been a concern for highway engineers and designers for many decades. A significant part of this concern is related to collisions with utility poles. Current practices and standards for placing utility poles are based on a combination of qualitative guidelines/heuristics and relatively outdated findings. Accordingly, there is a need to study the safety level associated with placing utility poles at different lateral offsets from the edge of the travel-way. In this paper a Safety Performance Function (SPF) is developed to relate roadway and roadside variables to utility pole collision frequency. It was found that increasing the poles offset has a more significant effect on reducing the frequency of utility pole collisions compared to increasing poles spacing. Based on the developed utility pole-SPF, design charts were provided to facilitate calculations and decision-making process. The developed utility pole-SPF was compared to a widely-used utility pole collisions model and the differences in the type of data and the development methodology were highlighted. PMID:23036421

  16. Structural modelling of thrust zones utilizing photogrammetry: Western Champsaur basin, SE France

    NASA Astrophysics Data System (ADS)

    Totake, Yukitsugu; Butler, Rob; Bond, Clare

    2016-04-01

    Recent advances in photogrammetric technologies allow geoscientists to easily obtain a high-resolution 3D geospatial data across multiple scales, from rock specimen to landscape. Although resolution and accuracy of photogrammetry models are dependent on various factors (a quality of photography, number of overlapping photo images, distance to targets, etc), modern photogrammetry techniques can even provide a comparable data resolution to laser scanning technologies (< ~1cm resolution) if conditions are complete. Such high-resolution datasets enable to perform accurate and detailed mapping or modelling of various geological objects. Another advantages of photogrammetry techniques, high portability and low costs for infrastructures, ease to incorporate these techniques with conventional geological surveys. Photogrammetry techniques have a great potential to enhance performances of geological surveys. We present a workflow for building basin-scale 3D structural models utilizing the ground-based photogrammetry along with field observations. The workflow is applied to model thrust zones in Eocene-Oligocene turbidite sequences called Champsaur Sandstone (Gres du Champsaur) filling an Alpine fore-deep basin, Western Champsaur basin, in southeastern France. The study area is located ca. 20km northeast from Gap, and approximately extends 10 km from east to west and 6 km from north to south. During a 2-week fieldwork, over 9400 photographs were taken at 133 locations by a handheld digital camera from ground, and were georeferenced with a handheld GPS. Photo images were processed within software PhotoScan to build a 3D photogrammetric model. The constructed photogrammetry model was then imported into software Move to map faults and geological layers along with georeferenced field data so that geological cross sections and 3D surfaces are produced. The workflow succeeded to produce a detailed topography and textures of landscape at ~1m resolution, and enabled to characterize

  17. A structured review of health utility measures and elicitation in advanced/metastatic breast cancer

    PubMed Central

    Hao, Yanni; Wolfram, Verena; Cook, Jennifer

    2016-01-01

    Background Health utilities are increasingly incorporated in health economic evaluations. Different elicitation methods, direct and indirect, have been established in the past. This study examined the evidence on health utility elicitation previously reported in advanced/metastatic breast cancer and aimed to link these results to requirements of reimbursement bodies. Methods Searches were conducted using a detailed search strategy across several electronic databases (MEDLINE, EMBASE, Cochrane Library, and EconLit databases), online sources (Cost-effectiveness Analysis Registry and the Health Economics Research Center), and web sites of health technology assessment (HTA) bodies. Publications were selected based on the search strategy and the overall study objectives. Results A total of 768 publications were identified in the searches, and 26 publications, comprising 18 journal articles and eight submissions to HTA bodies, were included in the evidence review. Most journal articles derived utilities from the European Quality of Life Five-Dimensions questionnaire (EQ-5D). Other utility measures, such as the direct methods standard gamble (SG), time trade-off (TTO), and visual analog scale (VAS), were less frequently used. Several studies described mapping algorithms to generate utilities from disease-specific health-related quality of life (HRQOL) instruments such as European Organization for Research and Treatment of Cancer Quality of Life Questionnaire – Core 30 (EORTC QLQ-C30), European Organization for Research and Treatment of Cancer Quality of Life Questionnaire – Breast Cancer 23 (EORTC QLQ-BR23), Functional Assessment of Cancer Therapy – General questionnaire (FACT-G), and Utility-Based Questionnaire-Cancer (UBQ-C); most used EQ-5D as the reference. Sociodemographic factors that affect health utilities, such as age, sex, income, and education, as well as disease progression, choice of utility elicitation method, and country settings, were identified

  18. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... existing improvements and utilities (1) at or near the work site and (2) on adjacent property of a third... shall repair any damage to those facilities, including those that are the property of a third...

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

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... existing improvements and utilities (1) at or near the work site and (2) on adjacent property of a third... shall repair any damage to those facilities, including those that are the property of a third...

  20. 48 CFR 52.236-9 - Protection of Existing Vegetation, Structures, Equipment, Utilities, and Improvements.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... existing improvements and utilities (1) at or near the work site and (2) on adjacent property of a third... shall repair any damage to those facilities, including those that are the property of a third...

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Advances in utilization of structurally integrated sensor networks for health monitoring in commercial applications

    NASA Astrophysics Data System (ADS)

    Lin, Mark; Kumar, Amrita; Qing, Xinlin; Beard, Shawn J.

    2002-07-01

    Structural health monitoring is a new technology that has been increasingly evaluated by the industry as a potential approach to improve the cost and ease of structural inspection. By improving structural inspection, structures can be made safer and more reliable, thus reducing the cost of structure ownership. Acellent Technologies is developing tools for structural health monitoring. The tools Acellent is offering are the SMART Layer and the SMART Suitcase. The SMART Layer is a flexible layer with a distributed array of piezoelectric transducers made using the printed circuit process that allows easy installation onto structures for in-situ sensing. The SMART Suitcase is an instrument that can interact with the SMART Layer and process the information collected from the structures. Acellent has been providing the system to researchers and companies to try out this new technique. Currently, this system is being evaluated by aircraft manufacturers for monitoring fatigue cracks from rivet holes, by an automotive company for inspecting flaws in composite/foam components, and by aerospace companies for detecting damages in composite/honeycomb sandwich structures. Other recent developments include the addition of fiber-optic sensors onto the SMART Layer and proving the SMART Layer for composite RTM process.

  6. 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…

  7. Analyzing and Utilizing the Collaboration Structure for Reliable Router-Level Networks

    NASA Astrophysics Data System (ADS)

    Nakata, Yu; Arakawa, Shin'ichi; Murata, Masayuki

    As the Internet represents a key social infrastructure, its reliability is essential if we are to survive failures. Physical connectivity of networks is also essential as it characterizes reliability. There are collaboration structures, which are topological structures where two or more nodes are connected to a node, and collaboration structures are observed in transcriptional regulatory networks and the router-level topologies of ISPs. These collaboration structures are related to the reliability of networks. The main objective of this research is to find whether an increase in collaboration structures would improve reliability or not. We first categorize the topology into a three-level hierarchy for this purpose, i.e., top-level, middle-level, and bottom-level layers. We then calculate the reliability of networks. The results indicate that the reliability of most transcriptional regulatory networks is higher than that of one of router-level topologies. We then investigate the number of collaboration structures. It is apparent that there are much fewer collaboration structures between top-level nodes and middle-level nodes in router-level topologies. Finally, we confirm that the reliability of router-level topologies can be improved by rewiring to increase the collaboration structures between top-level and middle-level nodes.

  8. 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

  9. Utilizing of inner porous structure in injection moulds for application of special cooling method

    NASA Astrophysics Data System (ADS)

    Seidl, M.; Bobek, J.; Šafka, J.; Habr, J.; Nováková, I.; Běhálek, L.

    2016-04-01

    The article is focused on impact evaluation of controlled inner structure of production tools and new cooling method on regulation of thermal processes for injection moulding technology. The mould inserts with porous structure were cooled by means of liquid CO2 which is very progressive cooling method and enables very fast and intensive heat transfer among the plastic product, the production tool and cooling medium. The inserts were created using rapid prototype technology (DLSM) and they had a bi-component structure consisting of thin compact surface layer and defined porous inner structure of open cell character where liquid CO2 was flowing through. This analyse includes the evaluation of cooling efficiency for different inner structures and different time profiles for dosing of liquid CO2 into the porous structure. The thermal processes were monitored using thermocouples and IR thermal analyse of product surface and experimental device. Intensive heat removal influenced also the final structure and the shape and dimensional accuracy of the moulded parts that were made of semi-crystalline polymer. The range of final impacts of using intensive cooling method on the plastic parts was defined by DSC and dimensional analyses.

  10. A novel RF-insensitive EED utilizing an integrated metal-oxide-semiconductor structure

    NASA Astrophysics Data System (ADS)

    Baginski, Thomas A.; Baginski, Michael E.

    1990-05-01

    The description and characterization of an electroexplosive device (EED) are presented. The structure is designed, using microelectric fabrication techniques, to be inherently immune to radio frequency (RF) radiation and also offers protection against stray signals associated with RF-induced arcing. A detailed discussion of the structure, which includes the fundamental mechanisms of operation, fabrication techniques, the device's frequency response and sensitivity to RF-induced arcing, and its compatibility with present fire control systems, is provided. Preliminary test results of the prototype device are discussed and show a significant improvement in the system's overall EMI immunity. These results include bench and field measurements of the structure's RF response for frequencies of 10-225 MHz and field measurements of the device's sensitivity to RF-induced arcing. The measurements indicate a significant reduction in real power dissipated by an EED employing the structure over an EED employing a conventional bridgewire (20 dB at 90 MHz).

  11. Identifying strengths and weaknesses in the utilization of Objective Structured Clinical Examination (OSCE) in a nursing program.

    PubMed

    McWilliam, Paula L; Botwinski, Carol A

    2012-01-01

    Objective Structured Clinical Examination (OSCE) is used in nursing to assess students' transfer of classroom and laboratory learning experiences into simulated clinical practice. OSCE is a performance-based exam in which students are observed demonstrating a multitude of clinical behaviors. The purpose of this study was to identify strengths and weaknesses in the utilization of OSCE in this nursing program with 60 full-time students ages 21 to 23. An evaluation methodology was used for this study. Interviews were conducted with two groups: faculty facilitators of OSCE and standardized patients (SPs). Areas of focus were: data collection of students' performance, SP selection and training, and modification of the Nursing Interview Interaction Scale (NIIS). It was found that with appropriate SP selection and training, utilization of appropriate tools, and good data collection, OSCE can offer a valid and reliable means of testing nursing students' clinical competencies. PMID:22416539

  12. 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

  13. 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.

  14. Structure, function, and regulation of the aldouronate utilization gene cluster from Paenibacillus sp. strain JDR-2.

    PubMed

    Chow, Virginia; Nong, Guang; Preston, James F

    2007-12-01

    Direct bacterial conversion of the hemicellulose fraction of hardwoods and crop residues to biobased products depends upon extracellular depolymerization of methylglucuronoxylan (MeGAX(n)), followed by assimilation and intracellular conversion of aldouronates and xylooligosaccharides to fermentable xylose. Paenibacillus sp. strain JDR-2, an aggressively xylanolytic bacterium, secretes a multimodular cell-associated GH10 endoxylanase (XynA1) that catalyzes depolymerization of MeGAX(n) and rapidly assimilates the principal products, beta-1,4-xylobiose, beta-1,4-xylotriose, and MeGAX(3), the aldotetrauronate 4-O-methylglucuronosyl-alpha-1,2-xylotriose. Genomic libraries derived from this bacterium have now allowed cloning and sequencing of a unique aldouronate utilization gene cluster comprised of genes encoding signal transduction regulatory proteins, ABC transporter proteins, and the enzymes AguA (GH67 alpha-glucuronidase), XynA2 (GH10 endoxylanase), and XynB (GH43 beta-xylosidase/alpha-arabinofuranosidase). Expression of these genes, as well as xynA1 encoding the secreted GH10 endoxylanase, is induced by growth on MeGAX(n) and repressed by glucose. Sequences in the yesN, lplA, and xynA2 genes within the cluster and in the distal xynA1 gene show significant similarity to catabolite responsive element (cre) defined in Bacillus subtilis for recognition of the catabolite control protein (CcpA) and consequential repression of catabolic regulons. The aldouronate utilization gene cluster in Paenibacillus sp. strain JDR-2 operates as a regulon, coregulated with the expression of xynA1, conferring the ability for efficient assimilation and catabolism of the aldouronate product generated by a multimodular cell surface-anchored GH10 endoxylanase. This cluster offers a desirable metabolic potential for bacterial conversion of hemicellulose fractions of hardwood and crop residues to biobased products. PMID:17921311

  15. 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.

  16. 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…

  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. 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...

  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. 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.

  1. Quantitative structure-activation barrier relationship modeling for Diels-Alder ligations utilizing quantum chemical structural descriptors

    PubMed Central

    2013-01-01

    Background In the present study, we show the correlation of quantum chemical structural descriptors with the activation barriers of the Diels-Alder ligations. A set of 72 non-catalysed Diels-Alder reactions were subjected to quantitative structure-activation barrier relationship (QSABR) under the framework of theoretical quantum chemical descriptors calculated solely from the structures of diene and dienophile reactants. Experimental activation barrier data were obtained from literature. Descriptors were computed using Hartree-Fock theory using 6-31G(d) basis set as implemented in Gaussian 09 software. Results Variable selection and model development were carried out by stepwise multiple linear regression methodology. Predictive performance of the quantitative structure-activation barrier relationship (QSABR) model was assessed by training and test set concept and by calculating leave-one-out cross-validated Q2 and predictive R2 values. The QSABR model can explain and predict 86.5% and 80% of the variances, respectively, in the activation energy barrier training data. Alternatively, a neural network model based on back propagation of errors was developed to assess the nonlinearity of the sought correlations between theoretical descriptors and experimental reaction barriers. Conclusions A reasonable predictability for the activation barrier of the test set reactions was obtained, which enabled an exploration and interpretation of the significant variables responsible for Diels-Alder interaction between dienes and dienophiles. Thus, studies in the direction of QSABR modelling that provide efficient and fast prediction of activation barriers of the Diels-Alder reactions turn out to be a meaningful alternative to transition state theory based computation. PMID:24171724

  2. 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.

  3. Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties

    SciTech Connect

    Wang, Yansong; Zhou, Zhimin

    2015-08-15

    The use of triazine and aromatic carboxylic acid as mixed chelating ligands in preparing two coordination polymers is described. Two new transition-metal coordination polymers, namely, [Co{sub 2}(bpdc){sub 4}(phdat){sub 2}] (1) and [Zn(bpdc)]{sub n} (2) (H{sub 2}bpdc=2,4-biphenyldicarboxylic acid, phdat=2,4-diamine-6-phenyl-1,3,5-triazine), have been hydrothermally synthesized and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. Compound 1 is a 0D structure and extends to a 3D network by two different N–H···O and N–H···N hydrogen bonds. Compound 2 exhibits a 2D network with 4{sup 4}.6{sup 2} topological net, which contains two kinds of single helical chains. The interactions within each Co(II)–Co(II) pair of compound 1 are antiferromagnetic (g=2.19, J=−22 K, zj′=−0.00351 K). Furthermore, the photoluminescence property of 2 was also investigated in the solid state at room temperature. - Graphical abstract: Two polymeric metal compounds based on mixed-ligands were synthesized and characterized. The use of different metal ions results in distinct structures. The magnetic and fluorescent properties were also studied. - Highlights: • The first bpdc{sup 2−}/phdat-based 0D discrete coordination complex. • A new 2D architecture with two kinds of helical chains. • The structure-dependent magnetism and photoluminescence properties.

  4. Utilizing Emerging Hardware for Multiphysics Simulation Through Implicit High-Order Finite Element Methods With Tensor Product Structure

    NASA Astrophysics Data System (ADS)

    Brown, J.; Ahmadia, A.; Knepley, M. G.; Smith, B.

    2011-12-01

    The cost of memory, especially memory bandwidth, is becoming increasingly expensive on modern high performance computing architectures including GPUs and multi-core systems. In contrast, floating point operations are relatively inexpensive when they can be vectorized (e.g. thread blocks on a GPU or vector registers on a CPU). This relative cost of memory to flops will continue to become even more pronounced due to fundamental issues of power utilization, therefore it is important to rethink algorithms to effectively utilize hardware. Commonly used methods for implicit solves with finite element methods involve assembly of a sparse matrix. Unfortunately, sparse matrix kernels have an arithmetic intensity (ratio of flops to bytes of memory movement) that is orders of magnitude less than that delivered by modern hardware, causing the floating point units to be massively under-utilized. The ``free flops'' can be effectively utilized by higher order methods which deliver improved accuracy for the same number of degrees of freedom. Effective use of high order methods require eschewing assembled data structures for matrix storage in exchange for unassembled representations. The resulting computation reduces to small dense tensor-product operations and indepedent ``physics'' kernels at each quadrature point, both of which are amenable to vectorization and capable of delivering a high fraction of peak performance. To reduce the effort required to implement new physics (e.g. constitutive relations and additional fields), retain code verifiability, and experiment with different vectorization strategies and solver algorithms, we express the continuum equations in Python and use automatic differentiation, symbolic methods, and code generation techniques to create vectorized kernels for residual evaluation, Jacobian storage, Jacobian application, and adjoints for each block of the system. The performance and effectiveness of these methods is demonstrated for free-surface Stokes

  5. Nitrogen isotope variations in the subarctic northeast Pacific: relationships to nitrate utilization and trophic structure

    NASA Astrophysics Data System (ADS)

    Wu, Jinping; Calvert, S. E.; Wong, C. S.

    1997-02-01

    The isotopic composition of dissolved nitrate, size-fractionated suspended particulate organic matter (SPOM) and zooplankton was determined on a transect (Line P) between a coastal upwwelling domain and Station Papa in the subarctic northeast Pacific. Station Papa lies in one of the three extensive high-nutrient low-chlorophyll (HNLC) domains of the open ocean, where plankton standing stocks are seasonally uniform and production is lower than the potential production based on available nutrients. In spring 1993, surface water δ15NO 3- decreased from east to west along the transect, from ca 12%. in the coastal domain to 8%. at Station Papa, while nitrate concentration ([N0 3-) increased from 3 to 12 μM in the same direction. Concurrently, δ15NO 3- at 400 m depth showed a much smaller change, from 5.3 to 3.1%., indicating a larger δ15N difference between deep and surface waters at the coastal end of the transect. The isotopic trend for SPOM was similar, from approximately 11 to 3%. for bulk SPOM, 8.5 to 3%. for the < 5 μm fraction, 10 to 4%. for the 50-253 μm fraction, and 12 to 5%. for the < 253 μm fraction. Zooplankton had δ15N values ranging from 12%. off the coast to 8%. at Station Papa. The fractionation factor for the nitrogen isotopes from these field observations was estimated to be 5%. from the change in δ15NO 3- between surface and deep water and from the difference between δ15N SPOM and δ15NO 3- and assuming the SPOM represents an instantaneous product. Seasonal transects of δ15N SPOM and [N0 3-] show that there are different relationships between these two parameters depending on the availability and relative utilization of N0 3-; δ15N SPOM is more or less constant in the open ocean where [NO 3-] > 7 μM, it increases rapidly where nitrate utilization is high (that is, where biological uptake is greater than physical supply), and it decreases during upwelling events when physical supply of nutrients overwhelms the biological uptake rate

  6. Structural and Functional Insights into (S)-Ureidoglycolate Dehydrogenase, a Metabolic Branch Point Enzyme in Nitrogen Utilization

    PubMed Central

    Kim, Myung-Il; Shin, Inchul; Cho, Suhee; Lee, Jeehyun; Rhee, Sangkee

    2012-01-01

    Nitrogen metabolism is one of essential processes in living organisms. The catabolic pathways of nitrogenous compounds play a pivotal role in the storage and recovery of nitrogen. In Escherichia coli, two different, interconnecting metabolic routes drive nitrogen utilization through purine degradation metabolites. The enzyme (S)-ureidoglycolate dehydrogenase (AllD), which is a member of l-sulfolactate dehydrogenase-like family, converts (S)-ureidoglycolate, a key intermediate in the purine degradation pathway, to oxalurate in an NAD(P)-dependent manner. Therefore, AllD is a metabolic branch-point enzyme for nitrogen metabolism in E. coli. Here, we report crystal structures of AllD in its apo form, in a binary complex with NADH cofactor, and in a ternary complex with NADH and glyoxylate, a possible spontaneous degradation product of oxalurate. Structural analyses revealed that NADH in an extended conformation is bound to an NADH-binding fold with three distinct domains that differ from those of the canonical NADH-binding fold. We also characterized ligand-induced structural changes, as well as the binding mode of glyoxylate, in the active site near the NADH nicotinamide ring. Based on structural and kinetic analyses, we concluded that AllD selectively utilizes NAD+ as a cofactor, and further propose that His116 acts as a general catalytic base and that a hydride transfer is possible on the B-face of the nicotinamide ring of the cofactor. Other residues conserved in the active sites of this novel l-sulfolactate dehydrogenase-like family also play essential roles in catalysis. PMID:23284870

  7. 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 K(d) 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Analysis of options for structural reform in electric-utility regulation. Report of the NGA Task Force on electric utility regulation

    SciTech Connect

    Not Available

    1983-01-07

    In June of 1982, an Electric Utility Task Force was formed under the auspices of the National Governors' Association. The Task Force members were charged with developing recommendations for any needed changes in the regulation of electric utilities and with identifying consensus solutions to the myriad of associated regulatory problems. This report represents the consensus view of the Task Force on the problems and potential options for addressing these problems. The Task Force members agree that the primacy of state regulation has been a desirable aspect of our traditional electric utility regulatory system and that any preemption of state authority in this field should be vigorously opposed. They also concluded that changes in three areas - regional power planning and regulation, sorting out of federal and state responsibilities, and benefit-sharing approaches - would be desirable in order to reduce multi-state conflicts and increase the opportunity for regulation which insures system reliability at the lowest possible long term cost. (DMC)

  13. Maximizing the utilization of computer-aided technology for fabrication of composite structures

    NASA Astrophysics Data System (ADS)

    Pyle, Glenn T.; Rao, Carlo S.

    The introduction of the computer in today's engineering environment presents new opportunities for the optimization of the product definition process. The certification effort on McDonnell Douglas Helicopter Company's MD 520N Program is used as a case study to show how the management of digital data can be used as a tool to dramatically reduce the cycle time of producing advanced composite structures. The MD 520N Product Definition Team used MDHC's Unigraphics 3-D CAD/CAM System to develop, design, fabricate, and test a production thruster assembly in just 74 days. This paper documents that effort and discusses the application this process may have in the normal production design environment.

  14. 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

  15. Alignment and structural control of nitrogen-doped carbon nanotubes by utilizing precursor concentration effect.

    PubMed

    Deng, Weina; Chen, Xiaohua; Chen, Xian; Liu, Zheng; Zeng, Ying; Hu, Aiping; Xiong, Yina; Li, Zhe; Tang, Qunli

    2014-11-28

    Nitrogen-doped carbon nanotubes (NCNTs) were prepared using a simple ultrasonic spray pyrolysis method. The precursor concentration effect was examined to effectively control alignment, open tip and diameter of the NCNTs by changing xylene/cyclohexylamine ratio. The structure and morphology of the resultant NCNTs were characterized by scanning electron microscopy, transmission electron microscopy and x-ray photoelectron spectroscopy. The degree of alignment and the diameter of the NCNTs increased as the xylene/cyclohexylamine precursor mixture was changed from 0 to 35% cyclohexylamine. This precursor composition also caused a large number of open-ended nanotubes to form with graphite layers inside the cavities of the NCNTs. However, further increase cyclohexylamine content in the precursor reduced the degree of alignment and diameter of the NCNTs. We demonstrate control over the NCNT alignment and diameter, along with the formation of open-ended nanotube tips, and propose a growth mechanism to understand how these properties are interlinked. PMID:25369800

  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. 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

  18. 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

  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. Utilization of monolayer MoS2 in Bragg stacks and metamaterial structures as broadband absorbers

    NASA Astrophysics Data System (ADS)

    Mukherjee, Bablu; Simsek, Ergun

    2016-06-01

    We numerically study the possibility of using atomically thin transition metal dichalcogenides (TMDs) for applications requiring broadband absorption in the visible range of the electromagnetic spectrum. We demonstrate that when monolayer TMDs are positioned into a finite-period of multilayer Bragg stack geometry, they make broadband, wide-angle, almost polarization-independent absorbers. In our study, we consider molybdenum disulfide (MoS2) and silicon dioxide (SiO2) as semiconducting and dielectric thin film of alternate high- and low- index films, respectively. By optimizing the thickness of the SiO2 film, we find that monolayer MoS2 based Bragg stacks can absorb 94.7% of the incident energy in the visible (350-700 nm). Similar structures can be engineered to make perfect reflectors for saturable absorption applications. We also demonstrate that bandwidth of metamaterial absorbers can be expanded using monolayer TMDs.

  1. 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

  2. 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.; Hernández-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

  3. Utilization of quantitative structure-activity relationships (QSARs) in risk assessment: Alkylphenols

    SciTech Connect

    Beck, B.D.; Toole, A.P.; Callahan, B.G.; Siddhanti, S.K. )

    1991-12-01

    Alkylphenols are a class of environmentally pervasive compounds, found both in natural (e.g., crude oils) and in anthropogenic (e.g., wood tar, coal gasification waste) materials. Despite the frequent environmental occurrence of these chemicals, there is a limited toxicity database on alkylphenols. The authors have therefore developed a 'toxicity equivalence approach' for alkylphenols which is based on their ability to inhibit, in a specific manner, the enzyme cyclooxygenase. Enzyme-inhibiting ability for individual alkylphenols can be estimated based on the quantitative structure-activity relationship developed by Dewhirst (1980) and is a function of the free hydroxyl group, electron-donating ring substituents, and hydrophobic aromatic ring substituents. The authors evaluated the toxicological significance of cyclooxygenase inhibition by comparison of the inhibitory capacity of alkylphenols with the inhibitory capacity of acetylsalicylic acid, or aspirin, a compound whose low-level effects are due to cyclooxygenase inhibition. Since nearly complete absorption for alkylphenols and aspirin is predicted, based on estimates of hydrophobicity and fraction of charged molecules at gastrointestinal pHs, risks from alkylphenols can be expressed directly in terms of 'milligram aspirin equivalence,' without correction for absorption differences. They recommend this method for assessing risks of mixtures of alkylphenols, especially for those compounds with no chronic toxicity data.38 references.

  4. 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

  5. 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.

  6. 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

  7. Development of Antiwear Shim Inserts Utilizing Segment-Structured DLC Coatings

    NASA Astrophysics Data System (ADS)

    Takashima, Mai; Kuroda, Tsuyoshi; Saito, Masanori; Ohtake, Naoto; Matsuo, Makoto; Iwamoto, Yoshinao

    Wear and fretting fatigue are important technological problems in automotive, railway and aerospace fields. The purpose of this study is to find a method of reducing the wear of cast-iron (FCD)/aluminum components, which are often applied to automotives, and thus extend their lifetime. First, a stainless-steel (SUS) shim was designed, which can be inserted between an FCD plate and an aluminum plate. Second, diamond-like carbon (DLC) coatings were applied to the shim inserts to prevent the FCD and aluminum plates from wear. Then, the tribological and fatigue characteristics of the shim were evaluated by a ball-on-disk (BoD) test and a bending fatigue test of up to 1×106 cycles. Each substrate was coated with DLC by Plasma-Based Ion Implantation and Deposition (PBII&D). A unique feature of our shim is that a segment-structured DLC film (S-DLC) is employed as well as a continuous DLC (C-DLC) film. The effect of the DLC coating on reducing the damage to the Al plate was apparent, because the surface roughness of the Al plate abraded with the DLC-coated shim was significantly smaller than that abraded directly with the FCD plate. Moreover, the average damage fraction to the C-DLC coating is approximately 20-fold larger than that to the S-DLC coating. The C-DLC film suffers severe damage near the bolt hole, whereas the S-DLC film suffered almost no damage even after 1×106 bending cycles. In conclusion, an S-DLC-coated SUS shim has a marked effect on reducing the wear of Al/FCD components and improving their lifetime.

  8. 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.

  9. 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

  10. 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

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

    NASA Astrophysics Data System (ADS)

    Hartmann, Benedikt; Müller, 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 κ -(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 Tg˜75 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.

  12. Pubic Bone Injuries after First Childbirth: Utility of MR in detection and differential diagnosis of structural injury

    PubMed Central

    Brandon, Catherine; Jacobson, Jon A.; Low, Lisa Kane; Park, Lee; DeLancey, John; Miller, Janis

    2013-01-01

    Objective Evaluate utility of MR in diagnosing structural injury in primiparous women with pelvic floor injury risks. Methods Observational study of 77 women with 3T MR imaging after delivery. Women (n=45) were operationally defined as High Risk for levator ani muscle tears (2nd stage labor> 150 minutes, anal sphincter tear, forceps, age> 35, birth weight > 4000 grams) or Low Risk (n=32): vaginally delivered without these risk factors (n=12); delivered by cesarean after 2nd stage labor >150 minutes (n=14), and cesarean without labor (n=6). All women were imaged using MR fluid sensitive sequences. Two musculoskeletal radiologists reviewed images for bone marrow edema, fracture, pubic symphysis measurements, and levator ani tear. Results MR imaging showed pubic bone fractures in 38% of women at High Risk and 13% of at Low Risk for pelvic floor injury (χ2(3)= 9.27, p=0.03). Levator ani muscle tears were present in 44% of the High Risk and 9% of Low Risk women (X2(3)=11.57, p=0.010). Bone marrow edema in the pubic bones was present in 61% of women studied across delivery categories. Complex patterns of injury included combinations of bone marrow edema, fractures, levator ani tears and pubic symphysis injuries. No MR documented injuries were present in 18% of women at High Risk and 44% at Low Risk (χ2(1)=6.2, p=.013). Conclusions Criteria identifying primiparous women at risk for pelvic floor injury can predict increased risk of bone and soft tissues changes at the pubic symphysis. Fluid sensitive MR imaging has utility for differential diagnosis of structural injury in postpartum women. PMID:21728205

  13. 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

  14. Evaluation and Reduction of Machine Difference in Press Working with Utilization of Dedicated Die Support Structure and Numerical Methodologies

    NASA Astrophysics Data System (ADS)

    Ohashi, Takahiro

    2011-05-01

    In this study, support structures of a die for press working are discussed to solve the machine difference problems amongst presses. The developed multi-point die support structures are not only utilized for adjusting elastic deformation of a die, but also for in-process sensing of the behavior of a die. The structures have multiple support cells between a die and the slide of a press machine. The cell, known as `a support unit,' has the strain gauges attached on its side, and works in both ways as a kind of spring and a load and displacement sensor. The cell contacts on the die with a ball-contact, therefore it transmits only the vertical force at each support point. The isolation of a momentum and horizontal load at each support point contributes for a simple numerical model; it helps us to know the practical boundary condition at the points under an actual production. In addition, the momentum and horizontal forces at the points are useless for press working; the isolation of these forces contributes to reduce a jolt and related machine differences. The horizontal distribution of support units is changed to reduce elastic deformation of a die; it contributes to reduce a jolt, alignment errors of a die and geometrical errors of a product. The validity of those adjustments are confirmed with evaluating a product shape of a deep drawing and measuring jolts between upper and lower stamping dies. Furthermore, die deformation in a process is analyzed with using elastic FE analysis with actual bearing loads compiled from each support unit.

  15. 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.

  16. 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

  17. 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.

  18. A chelating ion exchanger for gallium recovery from alkaline solution using 5-palmitoyl-8-hydroxyquinoline immobilized on a nonpolar adsorbent

    SciTech Connect

    Filik, H.; Apak, R.

    1998-06-01

    The recently developed method of gallium recovery from alkaline solution by alkanoyl oxine/chloroform extraction has been improved by immobilizing palmitoyl oxine on hydrophobic macroporous styrene-divinylbenzene copolymer Amberlite XAD-2 and passing the GA-containing alkaline solution of pH 13.5 through the synthesized resin column. The developed column showed reasonable efficiency after successive passages, and the selectivity of Ga over Al was very high, suggesting the utilizibility of the method in Ga recovery from the basic aluminate liquor of the Bayer process. The Ga capacity of the oxine-based resin was 3.94 {micro}mol/g. Two mg Ga retained on 10 g resin could be eluted with 25 mL of 2 N HCl at a throughput rate of 2 mL/min. The developed process has prospective use in Ga separation from Al in a strongly alkaline solution.

  19. 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.

  20. Investigations into the bovine serum albumin binding and fluorescence properties of Tb (III) complex of a novel 8-hydroxyquinoline ligand

    NASA Astrophysics Data System (ADS)

    Zhao, Mingming; Tang, Ruiren; Xu, Shuai

    2015-01-01

    A novel ligand, 2-methyl-6-(8-quinolinyl)-dicarboxylate pyridine (L), and its corresponding Tb (III) complex, Na4Tb(L)2Cl4·3H2O, were successfully prepared and characterized. The luminescence spectra showed that the ligand L was an efficient sensitizer for Tb (III) luminescence. The interaction of the complex with bovine serum albumin (BSA) was investigated through fluorescence spectroscopy under physiological conditions. The Stern-Volmer analysis indicated that the fluorescence quenching was resulted from static mechanism. The binding sites (n) approximated 1.0 and this meant that interaction of Na4Tb(L)2Cl4·3H2O with BSA had single binding site. The results showed van der Waals interactions and hydrogen bonds played major roles in the binding reaction. Furthermore, circular dichroism (CD) spectra indicated that the conformation of BSA was changed.

  1. Energy alignment and trap states in dye-doped tris-8-(hydroxyquinoline) aluminum light-emitting devices

    NASA Astrophysics Data System (ADS)

    Forsythe, Eric W.; Morton, David C.; Le, Quoc T.; Yan, Li; Nuesch, F.; Tang, Ching W.; Gao, Yongli

    1999-05-01

    Thermally stimulated luminescence has used to directly measure the trap states in intrinsic Alq3 and Alq3 doped with coumarin 6. For Alq3 doped with coumarin 6, we observe an increase in the trap energy from 0.25eV for undoped Alq3 to 0.32eV for doping concentrations as high as 2 percent. The origin of these trap states may be related to the relative energy level alignment between the Alq3 host and coumarin dopant. Using UV photoemission spectroscopy, we have measured the solid state energy alignment of the highest occupied molecular orbitals between Alq3 and coumarin 6. Finally, we report I-V curves for single layer devices as a function of doping with Al/LiF top and bottom contacts. The charge transport shows the trap states induced in the Alq3 films due to the presence of the coumarin 6 molecules decrease the carrier mobility and increase the energetic disorder. These results can be directly observed from the measured I-V curves.

  2. 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

  3. Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio japonicus.

    PubMed

    Forsberg, Zarah; Nelson, Cassandra E; Dalhus, Bjørn; Mekasha, Sophanit; Loose, Jennifer S M; Crouch, Lucy I; Røhr, Åsmund K; Gardner, Jeffrey G; Eijsink, Vincent G H; Vaaje-Kolstad, Gustav

    2016-04-01

    Cellvibrio japonicusis a Gram-negative soil bacterium that is primarily known for its ability to degrade plant cell wall polysaccharides through utilization of an extensive repertoire of carbohydrate-active enzymes. Several putative chitin-degrading enzymes are also found among these carbohydrate-active enzymes, such as chitinases, chitobiases, and lytic polysaccharide monooxygenases (LPMOs). In this study, we have characterized the chitin-active LPMO,CjLPMO10A, a tri-modular enzyme containing a catalytic family AA10 LPMO module, a family 5 chitin-binding module, and a C-terminal unclassified module of unknown function. Characterization of the latter module revealed tight and specific binding to chitin, thereby unraveling a new family of chitin-binding modules (classified as CBM73). X-ray crystallographic elucidation of theCjLPMO10A catalytic module revealed that the active site of the enzyme combines structural features previously only observed in either cellulose or chitin-active LPMO10s. Analysis of the copper-binding site by EPR showed a signal signature more similar to those observed for cellulose-cleaving LPMOs. The full-length LPMO shows no activity toward cellulose but is able to bind and cleave both α- and β-chitin. Removal of the chitin-binding modules reduced LPMO activity toward α-chitin compared with the full-length enzyme. Interestingly, the full-length enzyme and the individual catalytic LPMO module boosted the activity of an endochitinase equally well, also yielding similar amounts of oxidized products. Finally, gene deletion studies show thatCjLPMO10A is needed byC. japonicusto obtain efficient growth on both purified chitin and crab shell particles. PMID:26858252

  4. 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

  5. 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 =…

  6. Influencing Self-Reported Health among Rural Low-Income Women through Health Care and Social Service Utilization: A Structural Equation Model

    ERIC Educational Resources Information Center

    Bice-Wigington, Tiffany; Huddleston-Casas, Catherine

    2012-01-01

    Using structural equation modeling, this study examined the mesosystemic processes among rural low-income women, and how these processes subsequently influenced self-reported health. Acknowledging the behavioral processes inherent in utilization of health care and formal social support services, this study moved beyond a behavioral focus by…

  7. White organic light-emitting diodes based on tandem structures

    NASA Astrophysics Data System (ADS)

    Guo, Fawen; Ma, Dongge

    2005-10-01

    White organic light-emitting diodes made of two electroluminescent (EL) units connected by a charge generation layer were fabricated. Thus, with a tandem structure of indium tin oxide/N ,N'-di(naphthalene-1-yl)-N ,N'-diphenyl-benzidine (NPB)/9,10-bis-(β-naphthyl)-anthrene (ADN)/2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline (BCP)/tris(8-hydroxyquinoline) aluminum (Alq3)/BCP:Li/V2O5/NPB/Alq3:4-(dicyanomethylene)-2-t-butyle-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)4H-pyran (DCJTB)/Alq3/LiF/Al, a stable white light with Commission Internationale De L'Eclairage chromaticity coordinates from (0.35, 0.32) at 18V to (0.36, 0.36) at 50V was generated. It was clearly seen that the EL spectra consist of red band at 600nm due to DCJTB, green band at 505nm due to Alq3, and blue band at 435nm due to ADN, and the current efficiency and brightness equal basically to the sum of the two EL units. As a result, the tandem devices showed white light emission with a maximum brightness of 10200cd /m2 at a bias of 40V and a maximum current efficiency of 10.7cd/A at a current density of 3.5mA/cm2.

  8. Utilizing a structural meta-ontology for family-based quality assurance of the BioPortal ontologies.

    PubMed

    Ochs, Christopher; He, Zhe; Zheng, Ling; Geller, James; Perl, Yehoshua; Hripcsak, George; Musen, Mark A

    2016-06-01

    An Abstraction Network is a compact summary of an ontology's structure and content. In previous research, we showed that Abstraction Networks support quality assurance (QA) of biomedical ontologies. The development of an Abstraction Network and its associated QA methodologies, however, is a labor-intensive process that previously was applicable only to one ontology at a time. To improve the efficiency of the Abstraction-Network-based QA methodology, we introduced a QA framework that uses uniform Abstraction Network derivation techniques and QA methodologies that are applicable to whole families of structurally similar ontologies. For the family-based framework to be successful, it is necessary to develop a method for classifying ontologies into structurally similar families. We now describe a structural meta-ontology that classifies ontologies according to certain structural features that are commonly used in the modeling of ontologies (e.g., object properties) and that are important for Abstraction Network derivation. Each class of the structural meta-ontology represents a family of ontologies with identical structural features, indicating which types of Abstraction Networks and QA methodologies are potentially applicable to all of the ontologies in the family. We derive a collection of 81 families, corresponding to classes of the structural meta-ontology, that enable a flexible, streamlined family-based QA methodology, offering multiple choices for classifying an ontology. The structure of 373 ontologies from the NCBO BioPortal is analyzed and each ontology is classified into multiple families modeled by the structural meta-ontology. PMID:26988001

  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 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, ∼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. Small ruminant lentiviral Vif proteins commonly utilize cyclophilin A, an evolutionarily and structurally conserved protein, to degrade ovine and caprine APOBEC3 proteins.

    PubMed

    Yoshikawa, Rokusuke; Izumi, Taisuke; Nakano, Yusuke; Yamada, Eri; Moriwaki, Miyu; Misawa, Naoko; Ren, Fengrong; Kobayashi, Tomoko; Koyanagi, Yoshio; Sato, Kei

    2016-06-01

    Mammals have co-evolved with retroviruses, including lentiviruses, over a long period. Evidence supporting this contention is that viral infectivity factor (Vif) encoded by lentiviruses antagonizes the anti-viral action of cellular apolipoprotein B mRNA editing enzyme catalytic polypeptide-like 3 (APOBEC3) of the host. To orchestrate E3 ubiquitin ligase complex for APOBEC3 degradation, Vifs utilize mammalian proteins such as core-binding factor beta (CBFB; for primate lentiviruses) or cyclophilin A (CYPA; for Maedi-Visna virus [MVV]). However, the co-evolutionary relationship between lentiviral Vif and the mammalian proteins associated with Vif-mediated APOBEC3 degradation is poorly understood. Moreover, it is unclear whether Vif proteins of small ruminant lentiviruses (SRLVs), including MVV and caprine arthritis encephalitis virus (CAEV), commonly utilize CYPA to degrade the APOBEC3 of their hosts. In this study, molecular phylogenetic and protein homology modeling revealed that Vif co-factors are evolutionarily and structurally conserved. It was also found that not only MVV but also CAEV Vifs degrade APOBEC3 of both sheep and goats and that CAEV Vifs interact with CYPA. These findings suggest that lentiviral Vifs chose evolutionarily and structurally stable proteins as their partners (e.g., CBFB or CYPA) for APOBEC3 degradation and, particularly, that SRLV Vifs evolved to utilize CYPA as their co-factor in degradation of ovine and caprine APOBEC3. PMID:27193350

  12. 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

  13. 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

  14. 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(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 93Nb NMR spectra of complexes.

  15. 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.

  16. THE CONSTRUCTION COST ESTIMATE SYSTEM THAT UTILIZES TECHINICAL PROPOSALS IN THE IMPROVEMENT CONSTRUCTION OF THE RAILWAY STRUCTURES

    NASA Astrophysics Data System (ADS)

    Seki, Yutaka

    JR East has been made start as a new railway company in line with the reform policy of the Japan national railway in 1987. Along with it, JR have beam required the management emphasizing on the efficiency and quickness as a private enterprise. On the other hand, construction companies have remarkably made progress on the construction technology in recent years. Under the circumstance, we tried to establish the construction cost estimates of the railway improvements utilizing the technical proposals based on high technologies by innovative construction companies. In conclusion, we obtained a construction cost reduction and process speeded by the number of technical proposals and we also had acquired the effect of quality and efficiency in the construction cost estimates.

  17. Recommendations for utilizing and reporting population genetic analyses: the reproducibility of genetic clustering using the program STRUCTURE.

    PubMed

    Gilbert, Kimberly J; Andrew, Rose L; Bock, Dan G; Franklin, Michelle T; Kane, Nolan C; Moore, Jean-Sébastien; Moyers, Brook T; Renaut, Sébastien; Rennison, Diana J; Veen, Thor; Vines, Timothy H

    2012-10-01

    Reproducibility is the benchmark for results and conclusions drawn from scientific studies, but systematic studies on the reproducibility of scientific results are surprisingly rare. Moreover, many modern statistical methods make use of 'random walk' model fitting procedures, and these are inherently stochastic in their output. Does the combination of these statistical procedures and current standards of data archiving and method reporting permit the reproduction of the authors' results? To test this, we reanalysed data sets gathered from papers using the software package STRUCTURE to identify genetically similar clusters of individuals. We find that reproducing structure results can be difficult despite the straightforward requirements of the program. Our results indicate that 30% of analyses were unable to reproduce the same number of population clusters. To improve this, we make recommendations for future use of the software and for reporting STRUCTURE analyses and results in published works. PMID:22998190

  18. Utility of DNA taxonomy and barcoding for the inference of larval community structure in morphologically cryptic Chironomus (Diptera) species.

    PubMed

    Pfenninger, Markus; Nowak, Carsten; Kley, Christoph; Steinke, Dirk; Streit, Bruno

    2007-05-01

    Biodiversity studies require species level analyses for the accurate assessment of community structures. However, while specialized taxonomic knowledge is only rarely available for routine identifications, DNA taxonomy and DNA barcoding could provide the taxonomic basis for ecological inferences. In this study, we assessed the community structure of sediment dwelling, morphologically cryptic Chironomus larvae in the Rhine-valley plain/Germany, comparing larval type classification, cytotaxonomy, DNA taxonomy and barcoding. While larval type classification performed poorly, cytotaxonomy and DNA-based methods yielded comparable results: detrended correspondence analysis and permutation analyses indicated that the assemblages are not randomly but competitively structured. However, DNA taxonomy identified an additional species that could not be resolved by the traditional method. We argue that DNA-based identification methods such as DNA barcoding can be a valuable tool to increase accuracy, objectivity and comparability of the taxonomic assessment in biodiversity and community ecology studies. PMID:17444904

  19. Data on publications, structural analyses, and queries used to build and utilize the AlloRep database.

    PubMed

    Sousa, Filipa L; Parente, Daniel J; Hessman, Jacob A; Chazelle, Allen; Teichmann, Sarah A; Swint-Kruse, Liskin

    2016-09-01

    The AlloRep database (www.AlloRep.org) (Sousa et al., 2016) [1] compiles extensive sequence, mutagenesis, and structural information for the LacI/GalR family of transcription regulators. Sequence alignments are presented for >3000 proteins in 45 paralog subfamilies and as a subsampled alignment of the whole family. Phenotypic and biochemical data on almost 6000 mutants have been compiled from an exhaustive search of the literature; citations for these data are included herein. These data include information about oligomerization state, stability, DNA binding and allosteric regulation. Protein structural data for 65 proteins are presented as easily-accessible, residue-contact networks. Finally, this article includes example queries to enable the use of the AlloRep database. See the related article, "AlloRep: a repository of sequence, structural and mutagenesis data for the LacI/GalR transcription regulators" (Sousa et al., 2016) [1]. PMID:27508249

  20. 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.

  1. 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 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 (60)Co γ irradiation and α 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 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. PMID:26675481

  2. 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...

  3. 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...

  4. 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.

  5. Investigation on the near-wake flow structures of a utility-scale wind turbine using snowflake based flow visualization

    NASA Astrophysics Data System (ADS)

    Dasari, Teja; Toloui, Mostafa; Guala, Michele; Hong, Jiarong

    2015-11-01

    Super-large-scale particle image velocimetry and flow visualization techniques using natural snow particles have been shown as an effective tool to probe the structure of the flow around full-scale wind turbines (Hong et al. Nature Comm. 2014). Here we present a follow-up study based on the data collected during a deployment around the 2.5 MW wind turbine at EOLOS Wind Energy Research Station on April, 4th, 2014. The dataset includes the snow visualization of flow fields from different perspectives in the near wake of the turbine. The motions of the dominant coherent structures including tip, blade root, hub and tower vortices, represented by the snow voids, are examined with the objective of quantifying and correlating their behavior with the meteorological and turbine operating conditions. Some preliminary studies on flow-structure interaction are also performed by correlating the data from strain gauges, accelerometers mounted on the turbine blades, with the flow measurements. The statistical analysis of the motions of blade induced vortices shows a clear impact of atmospheric turbulence and vortex interaction on flow development in the near wake. The result further indicates a strong connection between near-wake vorticity field, turbine operation and structure deformations. The work was supported by National Science Foundation (NSF-CBET-1454259) and the research infrastructure was supported by Department of Energy.

  6. 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.

  7. Utilization of Structure-Based Design to Identify Novel, Irreversible Inhibitors of EGFR Harboring the T790M Mutation.

    PubMed

    Hennessy, Edward J; Chuaqui, Claudio; Ashton, Susan; Colclough, Nicola; Cross, Darren A E; Debreczeni, Judit É; Eberlein, Cath; Gingipalli, Lakshmaiah; Klinowska, Teresa C M; Orme, Jonathan P; Sha, Li; Wu, Xiaoyun

    2016-05-12

    A novel series of covalent inhibitors of EGFR (epidermal growth factor receptor) kinase was discovered through a combination of subset screening and structure-based design. These compounds preferentially inhibit mutant forms of EGFR (activating mutant and T790M mutant) over wild-type EGFR in cellular assays measuring EGFR autophosphorylation and proliferation, suggesting an improved therapeutic index in non-small cell lung cancer patients would be achievable relative to established EGFR inhibitors. We describe our design approaches, resulting in the identification of the lead compound 5, and our efforts to develop an understanding of the structure-activity relationships within this series. In addition, strategies to overcome challenges around metabolic stability and aqueous solubility are discussed. Despite limitations in its physical properties, 5 is orally bioavailable in mice and demonstrates pronounced antitumor activity in in vivo models of mutant EGFR-driven cancers. PMID:27190603

  8. Identifying Individuals at High Risk of Psychosis: Predictive Utility of Support Vector Machine using Structural and Functional MRI Data

    PubMed Central

    Valli, Isabel; Marquand, Andre F.; Mechelli, Andrea; Raffin, Marie; Allen, Paul; Seal, Marc L.; McGuire, Philip

    2016-01-01

    The identification of individuals at high risk of developing psychosis is entirely based on clinical assessment, associated with limited predictive potential. There is, therefore, increasing interest in the development of biological markers that could be used in clinical practice for this purpose. We studied 25 individuals with an at-risk mental state for psychosis and 25 healthy controls using structural MRI, and functional MRI in conjunction with a verbal memory task. Data were analyzed using a standard univariate analysis, and with support vector machine (SVM), a multivariate pattern recognition technique that enables statistical inferences to be made at the level of the individual, yielding results with high translational potential. The application of SVM to structural MRI data permitted the identification of individuals at high risk of psychosis with a sensitivity of 68% and a specificity of 76%, resulting in an accuracy of 72% (p < 0.001). Univariate volumetric between-group differences did not reach statistical significance. By contrast, the univariate fMRI analysis identified between-group differences (p < 0.05 corrected), while the application of SVM to the same data did not. Since SVM is well suited at identifying the pattern of abnormality that distinguishes two groups, whereas univariate methods are more likely to identify regions that individually are most different between two groups, our results suggest the presence of focal functional abnormalities in the context of a diffuse pattern of structural abnormalities in individuals at high clinical risk of psychosis. PMID:27092086

  9. 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.; Muñoz-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

  10. Identifying Individuals at High Risk of Psychosis: Predictive Utility of Support Vector Machine using Structural and Functional MRI Data.

    PubMed

    Valli, Isabel; Marquand, Andre F; Mechelli, Andrea; Raffin, Marie; Allen, Paul; Seal, Marc L; McGuire, Philip

    2016-01-01

    The identification of individuals at high risk of developing psychosis is entirely based on clinical assessment, associated with limited predictive potential. There is, therefore, increasing interest in the development of biological markers that could be used in clinical practice for this purpose. We studied 25 individuals with an at-risk mental state for psychosis and 25 healthy controls using structural MRI, and functional MRI in conjunction with a verbal memory task. Data were analyzed using a standard univariate analysis, and with support vector machine (SVM), a multivariate pattern recognition technique that enables statistical inferences to be made at the level of the individual, yielding results with high translational potential. The application of SVM to structural MRI data permitted the identification of individuals at high risk of psychosis with a sensitivity of 68% and a specificity of 76%, resulting in an accuracy of 72% (p < 0.001). Univariate volumetric between-group differences did not reach statistical significance. By contrast, the univariate fMRI analysis identified between-group differences (p < 0.05 corrected), while the application of SVM to the same data did not. Since SVM is well suited at identifying the pattern of abnormality that distinguishes two groups, whereas univariate methods are more likely to identify regions that individually are most different between two groups, our results suggest the presence of focal functional abnormalities in the context of a diffuse pattern of structural abnormalities in individuals at high clinical risk of psychosis. PMID:27092086

  11. 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

  12. Utilizing Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS) to Determine the Unoccupied Electronic Structure of Pu

    SciTech Connect

    Butterfield, M T; Tobin, J G; Teslich, N E; Bliss, R A; Wall, M A; McMahan, A K; Chung, B W; Schwartz, A J; Kutepov, A L

    2005-11-01

    Understanding the behavior of 5f electrons remains an unrealized ambition of condensed matter physics [1,2]. Recently, there has been a large amount of interest in the actinides, particularly plutonium, driven by the complex and intriguing behavior of Pu and several of its compounds [3-5]. This has prompted both theoretical and experimental investigations of 5f metals and compounds. Of the different allotropes of Pu, the d-phase is of particular interest because of the high symmetry crystal structure and the stability of the phase to low temperatures when alloyed with small amounts of trivalent elements. Consequently much of the recent experimental and theoretical work has focused on this allotrope. From an experimental point of view, the reactivity and radioactivity of Pu, and the complexity of the phase diagram, make it exceedingly complicated to collect high-quality data. Investigations of these complex behaviors all point back to being caused by the intriguing interplay of the various electron states and in particular the behavior of the 5f states. While there are a number of ongoing experimental efforts directed at determining the occupied electronic structure of Pu, there is essentially no experimental data on the unoccupied electronic structure of Pu. We aim to determine the conduction band (unoccupied) electronic structure of Pu and other actinides in a phase specific fashion and emphasizing bulk contributions by using Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS). Bremstrahlung Isochromat Spectroscopy (BIS) is the high-energy variant of inverse photoelectron spectroscopy (IPES: electron in, photon out), which is essentially the time reversal of photoelectron spectroscopy (photon in, electron out). IPES can be used to follow the dispersion of electronic states in ordered samples. Owing to its low energies, IPES is usually very surface sensitive. However, by working at higher energies (>200 eV), we will sample preferentially for bulk properties

  13. Relating indices of knowledge structure coherence and accuracy to skill-based performance: Is there utility in using a combination of indices?

    PubMed

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

    2009-07-01

    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) whose participants underwent training on a complex computer simulation indicated that coherence and the accuracy-based indices yielded comparable zero-order predictive validities. Support for the incremental validity of using a combination of indices was mixed; the most, albeit small, gain came in pairing coherence and closeness when predicting transfer. After controlling for baseline skill, general mental ability, and declarative knowledge, only coherence explained a statistically significant amount of unique variance in transfer. Overall, the results suggested that the different indices largely overlap in their representation of knowledge organization, but that coherence better reflects adaptable aspects of knowledge organization important to skill transfer. PMID:19594246

  14. 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.

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

    PubMed

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

    2011-03-01

    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 Cα 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 Pearson's 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 3.1Å (2.9Å) for roughly half of the targets; this represents a 0.1 (0.3)Å average improvement over the original predicted structure. Focusing on the subset of strongly conserved residues, the average heavy atom RMSD is 2.6Å (2.3Å). Furthermore, we estimate the upper bound of template-based binding site refinement using only weakly related proteins to be ∼2.6Å RMSD. This value also corresponds to the plasticity of the ligand-binding regions in distant homologues. The Binding Site Refinement (BSR

  16. 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.

  17. 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

  18. 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

  19. 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

  20. Utility of biological membranes as indicators for radiation exposure: alterations in membrane structure and function over time.

    PubMed

    Dainiak, N; Tan, B J

    1995-05-01

    In addition to interacting with genomic DNA, ionizing radiation may directly and indirectly alter the structure and function of components of the plasma membrane of eukaryotic cells. Water radiolysis generates reactive species, including superoxide, hypochlorous acid and chloride radicals that may in turn react with biological membranes, as well as with cellular DNA. Reaction of plasma membrane lipids with molecular oxygen results in lipid peroxidation of both reconstituted membranes and biological membranes, an effect that increases with decreasing dose rate. Both ionizing radiation and ultraviolet light alter functions of membrane-anchored molecules, including adhesion molecules, histocompatibility complex antigens and membrane-bound growth factors. The latter growth factors represent a repertoire of growth and differentiation signals that are expressed in a nondiffusible fashion at the cell surface, and in soluble forms appearing after cleavage of their extracellular domain. The importance of cell-cell signaling via the membrane-anchored form of growth factors is becoming increasingly recognized. Expression of membrane-bound hematopoietic cytokines by eukaryotic cells is impaired after exposure to ultraviolet light, a defect in cell-cell signaling that may lead to impaired hematopoiesis. While studies suggest that permanent changes in membrane structure and function may result from radiation-induced injury to the plasma membrane and reconstituted "pure" membranes, reversibility of these defects over time requires additional study. PMID:7488940

  1. 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 1–52 of E. coli PutA (PutA52). The 2.1 Å resolution structure of PutA52 mutant Lys9Met was determined using Se-Met MAD phasing, and the structure of native PutA52 was solved at 1.9 Å resolution using molecular replacement. Residues 3–46 form a ribbon–helix–helix (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

  2. Fluorescence in complexes based on quinolines-derivatives: a search for better fluorescent probes.

    PubMed

    Mecca, Carolina Z P; Fonseca, Fernando L A; Bagatin, Izilda A

    2016-11-01

    Quinoline-derived fluorescent complexes were designed; synthesized by the reaction of 5-nitro-8-hydroxyquinoline and 5-chloro-8-hydroxyquinoline with Al(3+), Mg(2+), Zn(2+), and Cd(2+) salts (1-8); and characterized. The (1)H NMR spectra of complexes 1 and 5, containing Al(3+), were consistent with an octahedral structure having approximate D3 symmetry, and the results supported the favored facial isomer (fac). Data for complexes 2-4 and 6-8 supported the formation of tetrahedral structures. Intense luminescence was detected for complexes 5-8, even with the naked eye, as indicated by quantum yield values of 0.087, 0.094, 0.051, and 0.021, respectively. Furthermore, in contrast to 5-nitro-8-hydroxyquinoline, the 5-chloro-8-hydroxyquinoline ligand exhibited bands at different energies depending on the coordinated metal, which supported its potential application in ionic and biological probes, as well as in cell imaging. PMID:27288961

  3. Fluorescence in complexes based on quinolines-derivatives: a search for better fluorescent probes

    NASA Astrophysics Data System (ADS)

    Mecca, Carolina Z. P.; Fonseca, Fernando L. A.; Bagatin, Izilda A.

    2016-11-01

    Quinoline-derived fluorescent complexes were designed; synthesized by the reaction of 5-nitro-8-hydroxyquinoline and 5-chloro-8-hydroxyquinoline with Al3+, Mg2+, Zn2+, and Cd2+ salts (1-8); and characterized. The 1H NMR spectra of complexes 1 and 5, containing Al3+, were consistent with an octahedral structure having approximate D3 symmetry, and the results supported the favored facial isomer (fac). Data for complexes 2-4 and 6-8 supported the formation of tetrahedral structures. Intense luminescence was detected for complexes 5-8, even with the naked eye, as indicated by quantum yield values of 0.087, 0.094, 0.051, and 0.021, respectively. Furthermore, in contrast to 5-nitro-8-hydroxyquinoline, the 5-chloro-8-hydroxyquinoline ligand exhibited bands at different energies depending on the coordinated metal, which supported its potential application in ionic and biological probes, as well as in cell imaging.

  4. Structure-Property-Performance Relationships for Organic Photovoltaics and the Utilization of Photoconducting Atomic Force Microscopy for Characterizing Organic Thin Films

    NASA Astrophysics Data System (ADS)

    Guide, Michele Elyse

    Progress in the development of organic photovoltaics (OPVs) depends on a continually growing understanding of the effects of chemical composition or processing method on the optoelectronic and structural properties and, in turn, how those properties influence device performance. Unfortunately, no single characterization method can provide all of the necessary information to develop these structure-property-performance relationships. This thesis details examples of structure-property-performance studies in which multiple characterization methods are used to identify the root cause of limited device performance for a particular photovoltaic system. As a large part of this work, the refinement and utilization of a nanoscale characterization technique, namely photoconducting atomic force microscopy (pc-AFM) is presented, not as an alternative to other characterization methods, but as a unique approach to characterizing the nanoscale morphology and local optoelectronic properties of an organic thin film simultaneously. The goal of this work was to make pc-AFM as robust and reliable a characterization tool and as close an analog to bulk OPV performance testing as possible. The first sections of this thesis focus on the development of pc-AFM for the characterization of OPVs. The capabilities of pc-AFM at the time this research commenced are illustrated in a study of a multilayered p/i/n architecture OPV system comprising a thermoset small molecule donor, tetrabenzoporphyrin (BP) and one of two structurally similar soluble fullerene derivative acceptors. By investigating the nanoscale topography, dark current, and photocurrent in each layer of these multilayer devices, the differences in bulk device performance can be rationalized and the composition of specific morphological features can be identified. At the same time, this study demonstrates how interpretation of pc-AFM measurements was not straightforward and required knowledge of the bulk performance. This issue

  5. 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

  6. Enzymology and structure of the GH13_31 glucan 1,6-α-glucosidase that confers isomaltooligosaccharide utilization in the probiotic Lactobacillus acidophilus NCFM.

    PubMed

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

    2012-08-01

    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

  7. 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).

  8. Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Amerikheirabadi, Fatemeh

    Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

  9. Interferometer-based structured-illumination microscopy utilizing complementary phase relationship through constructive and destructive image detection by two cameras.

    PubMed

    Shao, L; Winoto, L; Agard, D A; Gustafsson, M G L; Sedat, J W

    2012-06-01

    In an interferometer-based fluorescence microscope, a beam splitter is often used to combine two emission wavefronts interferometrically. There are two perpendicular paths along which the interference fringes can propagate and normally only one is used for imaging. However, the other path also contains useful information. Here we introduced a second camera to our interferometer-based three-dimensional structured-illumination microscope (I(5)S) to capture the fringes along the normally unused path, which are out of phase by π relative to the fringes along the other path. Based on this complementary phase relationship and the well-defined phase interrelationships among the I(5)S data components, we can deduce and then computationally eliminate the path length errors within the interferometer loop using the simultaneously recorded fringes along the two imaging paths. This self-correction capability can greatly relax the requirement for eliminating the path length differences before and maintaining that status during each imaging session, which are practically challenging tasks. Experimental data is shown to support the theory. PMID:22472010

  10. 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

  11. 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.

  12. 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 Å. The particle consists of two large lobes connected by a 30-Å 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 87–1113. The calculations suggest that the DNA-binding domain is located in the connecting cylinder, whereas residues 87–1113, which contain the two catalytic active sites, reside in the large lobes. The SAXS data and amino acid sequence analysis suggest that the Δ1-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

  13. Low-voltage top-emitting organic light-emitting devices with an organic double-heterojunction structure

    NASA Astrophysics Data System (ADS)

    Xie, Wenfa; Wu, Zhijun; Hu, Wei; Zhao, Yi; Li, Chuannan; Liu, Shiyong

    2005-05-01

    We demonstrate low-voltage top-emitting organic light-emitting devices with a narrow recombination zone confined by an organic double-heterojunction structure. The devices had a configuration of Al/Glass/ITO/m-MTDATA/NPB/Alq3/TPBI/Alq3/LiF/Al/Ag. In these devices, 4,4',4''-tris(3-methylphenylphenylamino)-triphenylamine (m-MTDATA), N,N'-bis-(1-naphthyl)-N,N'-diphenyl-1,1'-biph-enyl-4,4'-diamine (NPB), 2,2',2''-(1,3,5-phenylene)tris(1-phenyl-1H-benzimidazole) (TPBI) and tris (8-hydroxyquinoline) aluminium (Alq3) were used as the hole injection, hole transporting, hole blocking and emission/electron-transporting layers, respectively. They exhibit low driving voltages, for instance, ~200 cd m-2 at the voltage of 4 V. The maximum efficiency and luminance of the device are 1.628 cd A-1 and 9573 cd m-2.

  14. 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...

  15. Lighting Utilization.

    ERIC Educational Resources Information Center

    Crank, Ron

    This instructional unit is one of 10 developed by students on various energy-related areas that deals specifically with lighting utilization. Its objective is for the student to be able to outline the development of lighting use and conservation and identify major types and operating characteristics of lamps used in electric lighting. Some topics…

  16. 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.

  17. SPAR data handling utilities

    NASA Technical Reports Server (NTRS)

    Giles, G. L.; Haftka, R. T.

    1978-01-01

    The SPAR computer software system is a collection of processors that perform particular steps in the finite-element structural analysis procedure. The data generated by each processor are stored on a data base complex residing on an auxiliary storage device, and these data are then used by subsequent processors. The SPAR data handling utilities use routines to transfer data between the processors and the data base complex. A detailed description of the data base complex organization is presented. A discussion of how these SPAR data handling utilities are used in an application program to perform desired user functions is given with the steps necessary to convert an existing program to a SPAR processor by incorporating these utilities. Finally, a sample SPAR processor is included to illustrate the use of the data handling utilities.

  18. 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.

  19. LETTER TO THE EDITOR: High colour rendering index non-doped-type white organic light-emitting devices with a RGB-stacked multilayer structure

    NASA Astrophysics Data System (ADS)

    Xie, Wenfa; Zhao, Yi; Li, Chuannan; Liu, Shiyong

    2005-12-01

    A non-doped-type white organic light-emitting device with high colour rendering index has been reported. The structure of the device is ITO/NPB (50 nm)/TPBI (3 nm)/Alq3 (d nm)/DCM2 (0.1 nm)/TPBI (40 - d nm)/Alq3 (10 nm)/LiF/Al, where NPB is N, N'-bis-(1-naphthyl)-N, N'-diphenyl-1, 1'-biph-enyl-4, 4'-diamine, TPBI is 2, 2', 2''-(1, 3, 5-phenylene) tris(1-phenyl-1H-benzimidazole), Alq3 is tris (8-hydroxyquinoline) aluminium, DCM2 is [2-methyl-6-[2-(2, 3, 6, 7-tetrahydro-1H, 5H-benzo[ij] quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene] propane-dinitrile. Through the optimization of d, pure white emission with CIE coordinates of (0.3198, 0.3400) at 9 V was obtained, at which the colour temperature and colour rendering index were 6080 K and 97, respectively. The CIE coordinates of the device change from (0.4552, 0.3867) at 4 V to (0.2864, 0.2865) at 19 V that are well in the white region. Its maximum luminance was 10 855 cd m-2 at 19 V and maximum power efficiency was 1.31 lm W-1 at 5 V.

  20. 3D imaging of geological structures by R-VSP utilizing vibrations caused by shaft excavations at the Mizunami Underground Research Laboratory in Japan

    NASA Astrophysics Data System (ADS)

    Matsuoka, T.; Hodotsuka, Y.; Ishigaki, K.; Lee, C.

    2009-12-01

    Japan Atomic Energy Agency is now conducting the Mizunami Underground Research Laboratory (MIU) project. The MIU consists of two shafts (main shaft: 6.5m, ventilation shaft: 4.5m diameter) and horizontal research galleries, in sedimentary and granitic rocks at Mizunami City, Central Japan. The MIU project is a broad scientific study of the deep geological environment providing the basis for research and development for geological disposal of high level radioactive waste. One of the main goals is to establish techniques for investigation, analysis and assessment of the deep geological environment in fractured crystalline rock. As a part of the MIU project, we carried out the Reverse-Vertical Seismic Profile (R-VSP) using vibrations from the blasting for the shaft excavations and drilling of boreholes in the horizontal research galleries and examined the applicability of this method to imaging of geological structures around underground facilities, such as the unconformity between the sedimentary rocks and the basal granite, and faults and fracture zones in the granite. R-VSP method is a seismic method utilizing the receiver arrays on surface and seismic sources underground (e.g. in boreholes). This method is advantageous in that planning of 3-dimensional surveys is easy compared with reflection seismic surveying and conventional VSP because seismic source arrays that are major constraint for conducting surveys on surface are unnecessary. The receiver arrays consist of six radial lines on surface with a central focus on the main shaft. Seven blast rounds for the main shaft excavation from GL-52.8m to GL-250m and the borehole drilling in the GL-200m horizontal research gallery were observed. Three types of data processing, conventional VSP data processing (VSP-CDP transform and VSP migration), Reflection data processing utilizing Seismic interferometry method (“Seismic interferometry”) and Reflection mapping utilizing Image Point transform method (“IP transform

  1. 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 ε-amino of Lys329. Furthermore, inactivation locks PutA into a conformation that may mimic the proline reduced, membrane-associated form. The 2.15 Å 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 β1-αl loop to complete the active site. PMID:19994913

  2. 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.

  3. 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

  4. The regulation of public utilities

    SciTech Connect

    Phillips, C.F. Jr.

    1992-01-01

    The current edition of [open quotes]The Regulation of Public Utilities[close quotes] is divided into 17 chapters which provide an historical analysis of the economic and legal concepts of public utility regulation, rate of return, rate base, operating expenses, rate structure, the electric power and natural gas industries, as well as the telecommunications and water industries. The value of the third edition is limited by the changes that have taken place in public utility regulation since 1992; current topic such as cogeneration, independent power production, and the sea-change in oil pipeline regulations are not discussed. The volume does, however, provide a comprehensive historical background of utility regulation.

  5. Influence of an external magnetic field on the singlet and triplet emissions of tris-(8-hydroxyquinoline)aluminum(III) (Alq3)

    NASA Astrophysics Data System (ADS)

    Gärditz, Christoph; Mückl, Anton G.; Cölle, Michael

    2005-11-01

    The effect of a magnetic field on the triplet emission in Alq3 was investigated by measuring the delayed electroluminescence (EL) and the phosphorescence in Alq3-based organic light-emitting diodes and amorphous films, respectively. The change of the delayed EL intensity in amorphous Alq3 is explained by Merrifield's theory of mutual triplet-triplet annihilation known for molecular crystals. The intensity of the instantaneous EL shows an increase of up to +4.8% depending on the magnetic-field strength, which is due to the influence of the magnetic-field on the charge balance factor and thus on the injection of minority charge carriers.

  6. 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

  7. Controlling hole-transport in aluminum tris (8-hydroxyquinoline), Alq3-based organic light emitting diodes to improve the device lifetime by an oxidized transport layer

    NASA Astrophysics Data System (ADS)

    Mathai, Mathew K.; Papadimitrakopoulos, Fotios; Hsieh, Bing R.

    2004-06-01

    A salt containing polymer, called an oxidized transport layer (OTL), was investigated for hole injection and transport into Alq3-based multilayered organic light emitting diode (OLED) devices. The OTL comprises an aryldiamine containing hole transport polymer binder with a corresponding low molecular weight radical cation salt. We demonstrate herein that the OTL behaves like a tunable resistor for holes, and its hole-transport properties can be controlled by the salt concentration and thickness of the OTL. Based on a careful analysis of the current density-voltage (J-V) device characteristics as a function of the above parameters, electron/hole currents were balanced to minimize oxidative degradation of Alq3. It was found that an OLED device (ITO/OTL/NPB/Alq3/CsF/Al) with a 5000 Å thick OTL at 5% salt concentration operated with a half-life exceeding 1000 h at a constant current of 10 mA/cm2. Similar devices with 2.5% and 10% salt doping showed an order of magnitude lower half-life attributed to unbalanced carrier concentrations. Moreover, by demonstrating that the majority of the field drops across the Alq3 layer, the doping level as opposed to OTL thickness was established as the primary contributor controlling hole transport in these OLEDs. This beneficial behavior is, however, observed only above a certain OTL thickness in the vicinity of 5000 Å.

  8. The Role of Weak Interactions in the Mechano-induced Single-Crystal-to-Single-Crystal Phase Transition of 8-Hydroxyquinoline-Based Co-crystals.

    PubMed

    Liu, Jie; Liu, Guangfeng; Liu, Yang; Zheng, Xiaoxin; Han, Quanxiang; Ye, Xin; Tao, Xutang

    2016-06-01

    Mechano-induced single-crystal-to-single-crystal (SCSC) phase transitions in crystalline materials that change their properties have received more and more attention. However, there are still too few examples to study molecular-level mechanisms in the mechano-induced SCSC phase transitions, making the systematic and in-depth understanding very difficult. We report that bis-(8-hydroxyquinolinato) palladium(II)-tetracyanoquinodimethane (PdQ2 -TCNQ) and bis-(8-hydroxyquinolinato) copper(II)-tetracyanoquinodimethane (CuQ2 -TCNQ) show very different mechano-response behaviors during the SCSC phase transition. Phase transition in CuQ2 -TCNQ can be triggered by pricking on the crystal surface, while in PdQ2 -TCNQ it can only be induced by applying pressure uniformly over the whole crystal face. The crystallography data and Hirshfeld surface analysis indicate that the weak intra-layer C-H⋅⋅⋅O, C-H⋅⋅⋅N hydrogen bonds and inter-layer stacking interactions determine the feasibility of the SCSC phase transition by mechanical stimuli. Weaker intra-layer interactions and looser inter-layer stacking make the SCSC phase transition occur much more easily in the CuQ2 -TCNQ. PMID:27124771

  9. 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...

  10. Secondary Structure, Backbone Dynamics, and Structural Topology of Phospholamban and Its Phosphorylated and Arg9Cys-Mutated Forms in Phospholipid Bilayers Utilizing 13C and 15N Solid-State NMR Spectroscopy

    PubMed Central

    2015-01-01

    Phospholamban (PLB) is a membrane protein that regulates heart muscle relaxation rates via interactions with the sarcoplasmic reticulum Ca2+ ATPase (SERCA). When PLB is phosphorylated or Arg9Cys (R9C) is mutated, inhibition of SERCA is relieved. 13C and 15N solid-state NMR spectroscopy is utilized to investigate conformational changes of PLB upon phosphorylation and R9C mutation. 13C=O NMR spectra of the cytoplasmic domain reveal two α-helical structural components with population changes upon phosphorylation and R9C mutation. The appearance of an unstructured component is observed on domain Ib. 15N NMR spectra indicate an increase in backbone dynamics of the cytoplasmic domain. Wild-type PLB (WT-PLB), Ser16-phosphorylated PLB (P-PLB), and R9C-mutated PLB (R9C-PLB) all have a very dynamic domain Ib, and the transmembrane domain has an immobile component. 15N NMR spectra indicate that the cytoplasmic domain of R9C-PLB adopts an orientation similar to P-PLB and shifts away from the membrane surface. Domain Ib (Leu28) of P-PLB and R9C-PLB loses the alignment. The R9C-PLB adopts a conformation similar to P-PLB with a population shift to a more extended and disordered state. The NMR data suggest the more extended and disordered forms of PLB may relate to inhibition relief. PMID:24511878

  11. The Day-to-Day Job of the Utilization Volunteer: Structure, Problems, and Solutions. The Peace Corps Educational Television (ETV) Project in Colombia: Two Years of Research.

    ERIC Educational Resources Information Center

    Comstock, George; Maccoby, Nathan

    For a report on a two-year research project designed to evaluate the introduction of educational television in Colombian schools by the Peace Corps, "critical incidents" which were collected from the utilization Volunteers (those in the field who were serving as educational television consultants) are presented. The first part of the report…

  12. 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.

  13. Phylogenetic utility, and variability in structure and content, of complete mitochondrial genomes among genetic lineages of the Hawaiian anchialine shrimp Halocaridina rubra Holthuis 1963 (Atyidae:Decapoda).

    PubMed

    Justice, Joshua L; Weese, David A; Santos, Scott Ross

    2016-07-01

    The Atyidae are caridean shrimp possessing hair-like setae on their claws and are important contributors to ecological services in tropical and temperate fresh and brackish water ecosystems. Complete mitochondrial genomes have only been reported from five of the 449 species in the family, thus limiting understanding of mitochondrial genome evolution and the phylogenetic utility of complete mitochondrial sequences in the Atyidae. Here, comparative analyses of complete mitochondrial genomes from eight genetic lineages of Halocaridina rubra, an atyid endemic to the anchialine ecosystem of the Hawaiian Archipelago, are presented. Although gene number, order, and orientation were syntenic among genomes, three regions were identified and further quantified where conservation was substantially lower: (1) high length and sequence variability in the tRNA-Lys and tRNA-Asp intergenic region; (2) a 317-bp insertion between the NAD6 and CytB genes confined to a single lineage and representing a partial duplication of CytB; and (3) the putative control region. Phylogenetic analyses utilizing complete mitochondrial sequences provided new insights into relationships among the H. rubra genetic lineages, with the topology of one clade correlating to the geologic sequence of the islands. However, deeper nodes in the phylogeny lacked bootstrap support. Overall, our results from H. rubra suggest intra-specific mitochondrial genomic diversity could be underestimated across the Metazoa since the vast majority of complete genomes are from just a single individual of a species. PMID:26061341

  14. Secondary structure and phylogenetic utility of the ribosomal large subunit (28S) in monogeneans of the genus Thaparocleidus and Bifurcohaptor (Monogenea: Dactylogyridae).

    PubMed

    Chaudhary, Anshu; Singh, Hridaya Shanker

    2013-04-01

    Present communication deals with secondary structure of 28S rDNA of two already known species of monogeneans viz., Bifurcohaptor indicus and Thaparocleidus parvulus parasitizing gill filaments of a freshwater fish, Mystus vittatus for phylogenetic inference. Secondary structure data are best used as accessory taxonomic characters as their phylogenetic resolving power and confidence in validity. Secondary structure of the 28S rDNA transcript could provide information for identifying homologous nucleotide characters, useful for cladistic inference of relationships. Such structure data could be used as taxonomic character. The study supports that species-level sequence variability renders 28S sequence as a unique window for examining the behavior of fast evolving, non-coding DNA sequences. Apart from this it also confirms that molecular similarity present in various species could be host-induced. PMID:24431545

  15. 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

  16. 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.

  17. 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.

  18. 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 (Seifert’s relation). By exploiting this analogy, we are able to import some mathematical results, most notably Peleg’s and Levin’s 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 Levin’s theorem and smoothing techniques.

  19. Proceedings of the ninth cellulose conference. I. Symposia on biosynthesis of cellulose, structure and physics of cellulose, and chemistry and utilization of lignin

    SciTech Connect

    Sarko, A.

    1983-01-01

    Volume I of this conference contains 37 papers covering research programs in the biosynthesis of cellulose and its precursors and the structure and chemical composition of cellulose and lignin. All 37 papers have been abstracted separately. 1028 references, 344 figures, 63 tables.

  20. 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…

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

    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

  2. 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…

  3. Controlling Your Utility Rates.

    ERIC Educational Resources Information Center

    Lucht, Ray; Dembowski, Frederick L.

    1985-01-01

    A cost-effective alternative to high utility bills for middle-sized and smaller utility users is the service of utility rate consultants. The consultants analyze utility invoices for the previous 12 months to locate available refunds or credits. (MLF)

  4. 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.

  5. 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.

  6. 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

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

    DOEpatents

    Chen, Wen S.; Stewart, John M.

    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.

  8. Isobaric-Isothermal Molecular Dynamics Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

    SciTech Connect

    Schmidt, J; VandeVondele, J; Kuo, I W; Sebastiani, D; Siepmann, J I; Hutter, J; Mundy, C J

    2009-03-06

    We present herein a comprehensive density functional theory study toward assessing the accuracy of two popular gradient-corrected exchange correlation functionals on the structure and density of liquid water at near ambient conditions in the isobaric-isothermal ensemble. Our results indicate that both PBE and BLYP functionals under predict the density and over structure the liquid. Adding the dispersion correction due to Grimme(1, 2) improves the predicted densities for both BLYP and PBE in a significant manner. Moreover, the addition of the dispersion correction for BLYP yields an oxygen-oxygen radial distribution function in excellent agreement with experiment. Thus, we conclude that one can obtain a very satisfactory model for water using BLYP and a correction for dispersion.

  9. The structural properties of the transmembrane segment of the integral membrane protein phospholamban utilizing (13)C CPMAS, (2)H, and REDOR solid-state NMR spectroscopy.

    PubMed

    Karp, Ethan S; Tiburu, Elvis K; Abu-Baker, Shadi; Lorigan, Gary A

    2006-06-01

    Solid-state NMR spectroscopic techniques were used to investigate the secondary structure of the transmembrane peptide phospholamban (TM-PLB), a sarcoplasmic Ca(2+) regulator. (13)C cross-polarization magic angle spinning spectra of (13)C carbonyl-labeled Leu39 of TM-PLB exhibited two peaks in a pure 1-palmitoyl-2-oleoyl-phosphocholine (POPC) bilayer, each due to a different structural conformation of phospholamban as characterized by the corresponding (13)C chemical shift. The addition of a negatively charged phospholipid (1-palmitoyl-2-oleoylphosphatidylglycerol (POPG)) to the POPC bilayer stabilized TM-PLB to an alpha-helical conformation as monitored by an enhancement of the alpha-helical carbonyl (13)C resonance in the corresponding NMR spectrum. (13)C-(15)N REDOR solid-state NMR spectroscopic experiments revealed the distance between the (13)C carbonyl carbon of Leu39 and the (15)N amide nitrogen of Leu42 to be 4.2+/-0.2A indicating an alpha-helical conformation of TM-PLB with a slight deviation from an ideal 3.6 amino acid per turn helix. Finally, the quadrupolar splittings of three (2)H labeled leucines (Leu28, Leu39, and Leu51) incorporated in mechanically aligned DOPE/DOPC bilayers yielded an 11 degrees +/-5 degrees tilt of TM-PLB with respect to the bilayer normal. In addition to elucidating valuable TM-PLB secondary structure information, the solid-state NMR spectroscopic data indicates that the type of phospholipids and the water content play a crucial role in the secondary structure and folding of TM-PLB in a phospholipid bilayer. PMID:16839519

  10. 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

  11. Development and utilization of digital image correlation techniques for the study of structural isomerism effects on strain development in epoxy network glasses

    NASA Astrophysics Data System (ADS)

    Heinz, Stephen Robert

    The specific aim of this dissertation is to present the findings regarding the effects of molecular structure on macroscopic mechanical performance and strain development in epoxy networks. Network molecular structure was altered through monomer isomerism and crosslink density/molecular weight between crosslinks. The use of structural isomerism provided a pathway for altering mechanical performance while maintaining identical chemical composition within the network. Isomerism was investigated primarily by the curing of diglycidyl ether of bisphenol A (DGEBA) using either the para- or meta-substituted derivatives of diaminodiphenyl sulfone (DDS). Additional insights into isomerism were gained through the investigation of networks composed of either para- or meta-triglycidyl aminophenol (TGAP) cured with 3,3'- or 4,4'-DDS. Crosslink density of the network was varied through two different methods: (a) increasing the equivalent weight of the linear DGEBA epoxy resin and (b) increasing the functionality of the epoxy resin through the use of TGAP. The effects of molecular structure on mechanical properties and strain development were monitored using a relatively new strain measurement technique known as digital image correlation (DIC). Strain measurement via DIC was particularly useful for the development of strain recovery procedures, which provided key insights to the deformation of epoxy network glasses of varying molecular structure by providing full field analysis of the epoxy specimens. Specific findings of this research revealed that network isomerism plays an important role in the deformation of epoxy network glasses. Networks containing meta-substituted monomers possessed higher modulus and yield stress values and lower yield strains. On the contrary, networks with para-substituted monomers displayed lower modulus and yield stress values, but increased ability to store energy through anelastic strain mechanisms, thereby delaying the onset of yielding. The

  12. Aberrant 5′ splice sites in human disease genes: mutation pattern, nucleotide structure and comparison of computational tools that predict their utilization

    PubMed Central

    Buratti, Emanuele; Chivers, Martin; Královičová, Jana; Romano, Maurizio; Baralle, Marco; Krainer, Adrian R.; Vořechovský, Igor

    2007-01-01

    Despite a growing number of splicing mutations found in hereditary diseases, utilization of aberrant splice sites and their effects on gene expression remain challenging to predict. We compiled sequences of 346 aberrant 5′splice sites (5′ss) that were activated by mutations in 166 human disease genes. Mutations within the 5′ss consensus accounted for 254 cryptic 5′ss and mutations elsewhere activated 92 de novo 5′ss. Point mutations leading to cryptic 5′ss activation were most common in the first intron nucleotide, followed by the fifth nucleotide. Substitutions at position +5 were exclusively G>A transitions, which was largely attributable to high mutability rates of C/G>T/A. However, the frequency of point mutations at position +5 was significantly higher than that observed in the Human Gene Mutation Database, suggesting that alterations of this position are particularly prone to aberrant splicing, possibly due to a requirement for sequential interactions with U1 and U6 snRNAs. Cryptic 5′ss were best predicted by computational algorithms that accommodate nucleotide dependencies and not by weight-matrix models. Discrimination of intronic 5′ss from their authentic counterparts was less effective than for exonic sites, as the former were intrinsically stronger than the latter. Computational prediction of exonic de novo 5′ss was poor, suggesting that their activation critically depends on exonic splicing enhancers or silencers. The authentic counterparts of aberrant 5′ss were significantly weaker than the average human 5′ss. The development of an online database of aberrant 5′ss will be useful for studying basic mechanisms of splice-site selection, identifying splicing mutations and optimizing splice-site prediction algorithms. PMID:17576681

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. Reliability, factor structure, and measurement invariance of the Dominic Interactive across European countries: Cross-country utility of a child mental health self-report.

    PubMed

    Kuijpers, Rowella C W M; Otten, Roy; Vermulst, Ad A; Pez, Ondine; Bitfoi, Adina; Carta, Mauro; Goelitz, Dietmar; Keyes, Katherine; Koç, Ceren; Lesinskiene, Sigita; Mihova, Zlatka; Engels, Rutger C M E; Kovess, Viviane

    2016-05-01

    Large-scale international surveys are important to globally evaluate, monitor, and promote children's mental health. However, use of young children's self-reports in these studies is still controversial. The Dominic Interactive, a computerized DSM-IV-based child mental health self-report questionnaire, has unique characteristics that may make it preeminently appropriate for usage in cross-country comparisons. This study aimed to determine scale score reliabilities (omega) of the Dominic Interactive in a sample of 8,135 primary school children, ages 6-11 years old, in 7 European countries, to confirm the proposed 7-scale factor structure, and to test for measurement invariance of scale and item scores across countries. Omega reliability values for scale scores were good to high in every country, and the factor structure was confirmed for all countries. A thorough examination of measurement invariance provided evidence for cross-country test score comparability of 5 of the 7 scales and partial scale score invariance of 2 anxiety scales. Possible explanations for this partial invariance include cross-country differences in conceptualizing items and defining what is socially and culturally acceptable anxiety. The convincing evidence for validity of score interpretation makes the Dominic Interactive an indispensable tool for cross-country screening purposes. (PsycINFO Database Record PMID:26237209

  19. 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

  20. 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.

  1. Assessing the utility of phase-space-localized basis functions: Exploiting direct product structure and a new basis function selection procedure

    NASA Astrophysics Data System (ADS)

    Brown, James; Carrington, Tucker

    2016-06-01

    In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier's symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.

  2. Utilities Expense Report.

    ERIC Educational Resources Information Center

    Moore, Deborah P.

    2001-01-01

    Examines how deregulation has affected school district utility costs. Offers ideas that can help school districts save money and energy. Provides several examples of state-wide initiatives intended to help school districts control utility costs. (GR)

  3. Research Utilization in Rehabilitation.

    ERIC Educational Resources Information Center

    Rogers, Everett M.

    In terms of its attention to research utilization, vocational rehabilitation today may be where agriculture was in 1913. One reason for this is an inadequate understanding of the process of research utilization. Scattered studies of research utilization have occurred, but suffer from a lack of integration. Among propositions that may be postulated…

  4. Sourcebook on Research Utilization.

    ERIC Educational Resources Information Center

    Rubin, Allen, Ed.; Rosenblatt, Aaron, Ed.

    Major papers presented at the Conference on Research Utilization in Social Work Education are compiled in this sourcebook. The conference focused on six topics that reviewed the state of the art of research utilization and suggested directions for the future. The papers included are: Understanding Research Utilization in Social Work (Stuart A.…

  5. 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.

  6. A Utility Model for Teaching Load Decisions in Academic Departments.

    ERIC Educational Resources Information Center

    Massey, William F.; Zemsky, Robert

    1997-01-01

    Presents a utility model for academic department decision making and describes the structural specifications for analyzing it. The model confirms the class-size utility asymmetry predicted by the authors' academic rachet theory, but shows that marginal utility associated with college teaching loads is always negative. Curricular structure and…

  7. 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…

  8. 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.

  9. 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

  10. Utilities weather the storm

    SciTech Connect

    Lihach, N.

    1984-11-01

    Utilities must restore power to storm-damaged transmission and distribution systems, even if it means going out in ice storms or during lightning and hurricane conditions. Weather forecasting helps utilities plan for possible damage as well as alerting them to long-term trends. Storm planning includes having trained repair personnel available and adjusting the system so that less power imports are needed. Storm damage response requires teamwork and cooperation between utilities. Utilities can strengthen equipment in storm-prone or vulnerable areas, but good data are necessary to document the incidence of lighning strikes, hurricanes, etc. 2 references, 8 figures.

  11. Soft x-ray spectroscopic studies of the electronic structure of organic semiconductors

    NASA Astrophysics Data System (ADS)

    Zhang, Yufeng

    -ray scattering (RIXS) features. These observations and comparisons with other organic semiconductors, such as Tri (8-hydroxyquinoline) aluminum (Alq3), and metal oxides, such as V2O3, not only help to deepen our understanding of the optical and electrical properties of Pc's, but also provide valuable information for the studies of other materials.

  12. Electric utilities and telecommunications

    SciTech Connect

    Moeller, J.W.

    1995-08-01

    Part I of this article will provide some background on the involvement of electric utilities in telecommunications. It will discuss the Power Radio Services, under which the FCC regulates radio communications of electric utilities, the pole attachment statute of the Communications Act, which authorized the FCC to regulate attachments of cable television cables to electric utility poles, and a recent Department of Energy (DOE) report on the need for a demonstration on the use of telecommunications for DSM. Part I will also discuss several recent developments relative to the Power Radio Services and the pole attachment statute. Part II will discuss electric utilities and telecommunications under PUHCA. It will outline the extensive and complex requirements of PUHCA that are applicable to public utility holding companies, as well as the specific requirements of PUHCA for the formation by public utility holding companies of subsidiaries to engage in telecommunications activities. It will also discuss the seven instances in the past decade in which the SEC has approved the formation by public utility holding companies of such subsidiaries. Part III of this article will discuss a principal obstacle to expanded electric utility involvement in telecommunications activities-a series of administrative and judicial decisions that illustrate the potential for dual regulation by the SEC and the FERC to result in confusion and inefficiencies. It will also discuss proposals in Congress to minimize this potential. Part IV will discuss House Bill 3636 and Senate Bill 1822 and their proposals to amend PUHCA to facilitate the formation or acquisition by public utility holding companies of non-utility subsidiaries to engage in telecommunications activities. It will also discuss their proposals to address the potential consequences of dual regulation by the SEC and the FERC of electric utilities involved in telecommunications.

  13. Voltage reduction in organic light-emitting diodes

    SciTech Connect

    Hung, L. S.; Mason, M. G.

    2001-06-04

    For practical applications, it is important to operate organic light-emitting devices at low voltages and low power consumption. When both the cathode and anode are perfectly injecting, low electron mobility in electron-transport materials, such as tris-(8-hydroxyquinoline)aluminum (Alq), becomes a limiting factor on voltage reduction. In this letter copper phthalocyanine (CuPc) is replaced for Alq as an electron-transport layer, and interfacial modification is utilized to enhance electron injection from the CuPc electron-transport layer into the Alq emissive layer. The outcome of this structure significantly facilitates electron transport through the organic materials, thus resulting in substantial reduction in operating voltages and power consumption. {copyright} 2001 American Institute of Physics.

  14. 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

    NASA Astrophysics Data System (ADS)

    Samadi; Theodoridou, Katerina; Yu, Peiqiang

    2013-03-01

    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 1 h, 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, α-helix, β-sheet, ratio of α-helix to β-sheet). The results showed that autoclave heating significantly decreased (P < 0.05) but dry heating increased (P < 0.05) the ratio of protein α-helix to β-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 α-helix to β-sheet ratios and in situ protein degradation and significantly negative correlation between the protein α-helix to β-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

  15. Instructional Facility Utilization.

    ERIC Educational Resources Information Center

    Kalamazoo Valley Community Coll., MI.

    Data describing campus facility use for instructional and related purposes for one week of activity in Fall 1978 were collected and evaluated at Kalamazoo Valley Community College. Four measures of space utilization were used: (1) percent of available time used; (2) percent of available space used; (3) percent of scheduled space utilized; and (4)…

  16. 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.

  17. Electric Utility Observers' Forum

    SciTech Connect

    Smartt, L.E.

    1982-05-13

    This second Observers' Forum of Public Utilities Fortnightly includes invited comments from 19 key legislators, utility consultants, and recognized figures in service industries on any subject to which the contributor wished to direct the attention of the industry leadership and which has a public-interest aspect. Participants were free to point to what they think the industry is doing, either right or wrong, and to areas where the industry might improve its performance. There is no single overriding message, but there is a prevalent mood that the electric-utility industry may have turned a corner despite some remaining problems.

  18. Dental care utilization over time.

    PubMed

    Beazoglou, T; Brown, L J; Heffley, D

    1993-12-01

    Between 1950 and 1978, per capita real dental expenditures in the U.S. grew at an average annual rate of 3.33%. Between 1978 and 1989 there was virtually no net growth in this measure of dental care utilization. This sharp curtailment of utilization growth has promoted debate about the sources of this change. Possible explanations include, among others, a reduction in dental disease due to increased exposure to fluoridation, the substitution of noncaloric sweeteners for refined sugar, preventive dentistry, , improved oral health habits, an increase in the net price of dental services, and the cost-containment efforts of insurers and employers. Changes have occurred in all of these variables, but little has done to isolate and quantify the individual effects. This decomposition is difficult, in part, because of the lack of an established model for time-series analysis of dental care utilization. A model of dental care demand, incorporating economic factors (out-of-pocket or net dental prices, per capita income, and nondental prices) as well as dietary factors (refined sugar consumption, noncaloric sweeteners, and exposure to fluoridated water), is combined with a simple model of dental care supply within an equilibrium framework. A two-stage estimation procedure is applied, using U.S. aggregate time-series data for the period 1950-89. Results show that economic and dietary factors are significantly related to changes in utilization. Net price and income elasticities of demand exhibit the expected signs and are compatible with estimates from cross-sectional studies. Decreases in cane and beet sugar consumption, facilitated by the increase in the use of noncaloric sweeteners, are associated with reductions in utilization. Fluoridation appears to be weakly but positively related to utilization. There also appears to have been a significant structural shift in demand since 1978. Overall goodness-of-fit is strong and the model accurately tracks the 1978-89 flattening of

  19. Synchrotron-based soft X-ray spectroscopic studies of the electronic structure of organic semiconducting molecules

    NASA Astrophysics Data System (ADS)

    Demasi, Alexander

    Organic molecules have been the subject of many scientific studies due to their potential for use in a new generation of optoelectronic and semiconducting devices, such as organic photovoltaics and organic light emitting diodes. These studies are motivated by the fact that organic semiconductor devices have several advantages over traditional inorganic semiconductor devices. Unlike inorganic semiconductors, where the electronic properties are a result of the deliberate introduction of dopants to the material, the properties of organic semiconductors are often intrinsic to the molecules themselves. As a result, organic semiconductor devices are frequently less susceptible to contamination by impurities than their inorganic counterparts, which results in the relatively lower cost of producing such devices. Accurate experimental determination of the bulk and surface electronic structure of organic semiconductors is a prerequisite in developing a comprehensive understanding of such materials. The organic materials studied in this thesis were N,N-Ethylene-bis(1,1,1trifluoropentane-2,4-dioneiminato)-copper(ii) (abbreviated Cu-TFAC), aluminum tris-8hydroxyquinoline (A1g3), lithium quinolate (Liq), tetracyanoquinodimethane (TCNQ), and tetrafluorotetracyanoquinodimethane (F4TCNQ). The electronic structures of these materials were measured with several synchrotron-based x-ray spectroscopies. X-ray photoemission spectroscopy was used to measure the occupied total density of states and the core-level states of the aforementioned materials. X-ray absorption spectroscopy (XAS) was used to probe the element-specific unoccupied partial density of states (PDOS); its angle-resolved variant was used to measure the orientation of the molecules in a film and, in some circumstances, to gauge the extent of an organic film's crystallinity. Most notably, x-ray emission spectroscopy (XES) measures the element- specific occupied PDOS and, when aided by XAS, resonant XES can additionally be

  20. 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.

  1. Utility straight sections

    SciTech Connect

    Leemann, B.; Peggs, S.; Peterson, J.

    1985-10-01

    Utility straight sections are insertions in the SSC lattice to provide relatively free space to facilitate various beam manipulations. These uses include beam-abort, injection (and conceivably ejection), space for the rf system, and collimation. A typical utility straight section is 1500 meters in overall length (ranging from 500 to 1200 meters). It has zero dispersion and high values of the beta functions. The betatron phase shift across the insertion is about 90{degrees} in each plane.

  2. Praxis conversion utilities

    SciTech Connect

    Duffy, J.M.; Greenwood, J.R.; Shapiro, R.

    1981-12-02

    The Praxis Conversion Utilities are a set of Praxis routines which convert data objects to/from Ascii strings. For instance, the AsciiInteger function converts an array of characters to an integer value. These routines are implemented as a consistent set of utilities with complete control over the various formatting options and fill characters. Most of the parameters for each routine are optional such that they are easy to invoke for standard cases, yet allowing the detailed control when necessary.

  3. Potentiation of human natural killer cell cytotoxicity by Salmonella bacteria is an interferon- and interleukin-2-independent process that utilizes CD2 and CD18 structures in the effector phase.

    PubMed Central

    Tarkkanen, J; Saksela, E

    1991-01-01

    Incubation of large granular lymphocytes (LGL) with glutaraldehyde-fixed bacteria stimulated in the supernatant the production of interferon (IFN), which proved to be mainly IFN-gamma. Even though IFN-gamma was produced upon exposure of LGL to bacteria, anti-IFN-gamma antibodies failed to interfere with induction of cytotoxicity by bacterial contact. Anti-IFN-gamma receptor antibodies had no effect on the induction of activated killing by bacterial contact either. We also tested the effect of anti-IFN-alpha antibody, but it failed to interfere with induction of cytotoxicity by bacterial contact. No interleukin-2 (IL-2) was detected in the culture supernatant of bacterially activated LGL by the mouse HT2 cell assay, nor did we detect any IL-2 mRNA in bacterially activated LGL by Northern RNA blot assay. Neutralizing anti-IL-2 antiserum had no effect on the induction of activated killing by bacterial contact, and recombinant IL-4 did not interfere with the induction of activated killing. We then studied the membrane structures involved in bacterially activated killing. Anti-CD18 monoclonal antibody did not interfere with the induction phase of bacterially activated killing. However, both anti-CD18 and anti-CD2 antibodies inhibited the effector phase of bacterially activated killing. The effector pathways utilized by activated LGL depended on the mode of activation in that even though bacterially activated LGL were sometimes blocked by anti-CD2 monoclonal antibody, recombinant-IL-2-stimulated LGL were not. In conclusion, our present results suggest that there may be mediators other than exogenously secreted IFNs and IL-2 which are responsible for the induction of activated killing after bacterial contact. CD18 and CD2 structures were shown to be involved in the effector phase of bacterially activated killing. PMID:1713200

  4. 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

  5. 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.

  6. 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.

  7. Deregulation of electric utilities

    SciTech Connect

    Zaccour, G.

    1998-07-01

    This volume is a collection of fourteen, mainly applied, economic papers examining electric utility deregulation in many parts of the world. These papers were presented at the International Workshop on Deregulation of Electric Utilities held in Montreal, Canada in September 1997. As the title suggests, these papers cover a broad range of topics. Despite the book's scattershot approach, a small subset of contributors asks a fundamental question: Is the industry sufficiently deregulated? This book succeeds in providing some concrete and well-analyzed examples that examine this important question.

  8. 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.

  9. Knowledge Production and Utilization.

    ERIC Educational Resources Information Center

    Beal, George M.; Meehan, Peter

    The study of knowledge production and utilization deals with the problems of how to translate theoretical concepts and knowledge into practical solutions to people's problems. Many criticisms have been leveled at aspects of previous information system models, including their linearity, one-way communication paths, overdependence on scientific…

  10. 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)

  11. 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.

  12. Utilities. [univac computer programs

    NASA Technical Reports Server (NTRS)

    Colquitt, W. N.

    1976-01-01

    Several sets of related Adage utility programs are described. A general description of the software group, instructions on how to use the programs, and a programmers description of the theory of operation are given along with a printed example of the program in use and a listing of the program.

  13. 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.

  14. 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)

  15. A Classroom Mathematics Utility.

    ERIC Educational Resources Information Center

    Williams, Michael

    1984-01-01

    Reviews CATUSPLOT, a mathematics utility aimed at high school algebra through college-level calculus. Basic program capabilities include plotting, tabulating, integrating, and locating of intersections of functions composed of combinations of polynomial, trigonometric, and exponential functions. Rated excellent on all areas examined…

  16. 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…

  17. 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…

  18. 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

  19. MTV Utility Library

    SciTech Connect

    Lurie, Gordon; Taxon, Thomas; Kehrer, Michelle; Simunich, Kathy Lee

    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-coordinate 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.

  20. 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.

  1. 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

  2. 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.

  3. NASA's Technology Utilization Program.

    NASA Technical Reports Server (NTRS)

    Farley, C. F.

    1972-01-01

    NASA's Technology Utilization Program is described, illustrating how it can be useful in achieving improved productivity, providing more jobs, solving public sector challenges, and strengthening the international competitive situation. Underlying the program is the fact that research and development conducted in NASA's aeronautics and space programs have generated much technical information concerning processes, products, or techniques which may be useful to engineers, doctors, or to others. The program is based on acquisition and publication, working with the user, and applications engineering.

  4. 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.

  5. Energy utilization in phonation

    NASA Astrophysics Data System (ADS)

    Krane, Michael

    2015-11-01

    A control volume analysis of energy utilization in phonation is presented. Conversion of subglottal airstream potential energy into work done vibrating the vocal folds, air flowing through the glottis, and radiating sound are described. An approximate numerical model is used to compute the contributions of each of these mechanisms, as a function of subglottal pressure, for normal phonation. An efficiency measure for each energy conversion mechanism is proposed. Acknowledge NIH grant 2R01 2R01DC005642.

  6. 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.

  7. 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 TVA Flowage Easement Shoreland §...

  8. Distillers Grains: Production, Properties and Utilization (Book)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The book, Distillers Grains: Production, Properties and Utilization, brings together cutting edge information on many aspects of DDGS. It consists of six major sections, having 26 chapters in total. Section 1 has six chapters and covers introduction, perspectives, history, structure and compositio...

  9. 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.

  10. Classical subjective expected utility

    PubMed Central

    Cerreia-Vioglio, Simone; Maccheroni, Fabio; Marinacci, Massimo; Montrucchio, Luigi

    2013-01-01

    We consider decision makers who know that payoff-relevant observations are generated by a process that belongs to a given class M, as postulated in Wald [Wald A (1950) Statistical Decision Functions (Wiley, New York)]. We incorporate this Waldean piece of objective information within an otherwise subjective setting à la Savage [Savage LJ (1954) The Foundations of Statistics (Wiley, New York)] and show that this leads to a two-stage subjective expected utility model that accounts for both state and model uncertainty. PMID:23559375

  11. 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.

  12. Coming utility squeeze play

    SciTech Connect

    Stoiaken, L.N.

    1988-02-01

    Like a sleeping giant, utilities are waking up and preparing to participate in the increasingly competitive power production industry. Some are establishing subsidiaries to participate in join venture deals with independents. Others are competing by offering lucrative discount or deferral rates to important industrial and commercial customers considering cogeneration. And now, a third approach is beginning to shape up- the disaggregation of generation assets into a separate generation company, or genco. This article briefly discusses these three and also devotes brief sections to functional segmentation and The regulatory arena.

  13. Classical subjective expected utility.

    PubMed

    Cerreia-Vioglio, Simone; Maccheroni, Fabio; Marinacci, Massimo; Montrucchio, Luigi

    2013-04-23

    We consider decision makers who know that payoff-relevant observations are generated by a process that belongs to a given class M, as postulated in Wald [Wald A (1950) Statistical Decision Functions (Wiley, New York)]. We incorporate this Waldean piece of objective information within an otherwise subjective setting à la Savage [Savage LJ (1954) The Foundations of Statistics (Wiley, New York)] and show that this leads to a two-stage subjective expected utility model that accounts for both state and model uncertainty. PMID:23559375

  14. 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.

  15. 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.

  16. 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

  17. Tyrosinase and catechol oxidase activity of copper(I) complexes supported by imidazole-based ligands: structure-reactivity correlations.

    PubMed

    Wendt, Franziska; Näther, Christian; Tuczek, Felix

    2016-09-01

    Four new imidazole-based ligands, 4-((1H-imidazol-4-yl)methyl)-2-phenyl-4,5-dihydrooxyzole (L OL 1), 4-((1H-imidazol-4-yl)methyl)-2-(tert-butyl)-4,5-dihydrooxyzole (L OL 2), 4-((1H-imidazol-4-yl)methyl)-2-methyl-4,5-dihydrooxyzole (L OL 3), and N-(2,2-dimethylpropylidene)-2-(1-trityl-1H-imidazol-4-yl-)ethyl amine (L imz 1), have been synthesized. The corresponding copper(I) complexes [Cu(I)(L OL 1)(CH3CN)]PF6 (CuL OL 1), [Cu(I)(L OL 2)(CH3CN)]PF6 (CuL OL 2), [Cu(I)(L OL 3)(CH3CN)]PF6 (CuL OL 3), [Cu(I)(L imz 1)(CH3CN)2]PF6 (CuL imz 1) as well as the Cu(I) complex derived from the known ligand bis(1-methylimidazol-2-yl)methane (BIMZ), [Cu(I)(BIMZ)(CH3CN)]PF6 (CuBIMZ), are screened as catalysts for the oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC-H2) to 3,5-di-tert-butylquinone (3,5-DTBQ). The primary reaction product of these oxidations is 3,5-di-tert-butylsemiquinone (3,5-DTBSQ) which slowly converts to 3,5-DTBQ. Saturation kinetic studies reveal a trend of catalytic activity in the order CuL OL 3 ≈ CuL OL 1 > CuBIMZ > CuL OL 2 > CuL imz 1. Additionally, the catalytic activity of the copper(I) complexes towards the oxygenation of monophenols is investigated. As substrates 2,4-di-tert-butylphenol (2,4-DTBP-H), 3-tert-butylphenol (3-TBP-H), 4-methoxyphenol (4-MeOP-H), N-acetyl-L-tyrosine ethyl ester monohydrate (NATEE) and 8-hydroxyquinoline are employed. The oxygenation products are identified and characterized with the help of UV/Vis and NMR spectroscopy, mass spectrometry, and fluorescence measurements. Whereas the copper complexes with ligands containing combinations of imidazole and imine functions or two imidazole units (CuL imz 1 and CuBIMZ) are found to exhibit catalytic tyrosinase activity, the systems with ligands containing oxazoline just mediate a stoichiometric conversion. Correlations between the structures of the complexes and their reactivities are discussed. PMID:27333775

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design.

    PubMed

    Han, Wooseok; Ding, Yu; Xu, Yongjin; Pfister, Keith; Zhu, Shejin; Warne, Bob; Doyle, Mike; Aikawa, Mina; Amiri, Payman; Appleton, Brent; Stuart, Darrin D; Fanidi, Abdallah; Shafer, Cynthia M

    2016-04-14

    The discovery of a highly potent and selective small molecule inhibitor 9 for in vitro target validation of MNK1/2 kinases is described. The aminopyrazine benzimidazole series was derived from an HTS hit and optimized by utilization of a docking model, conformation analysis, and binding pocket comparison against antitargets. PMID:27002243

  3. Primer on electric-utility deregulation

    SciTech Connect

    Not Available

    1982-08-01

    This primer on deregulation of the electric utility industry presents material on various subjects that are important for assessing the merits and weaknesses of alternative proposals and for generally understanding the meaning and implications of deregulation. It reviews: (a) the structure of the utility industry, its operation and its technology, with an emphasis placed on economies of scale and the benefits/problems of increased competition; (b) economic regulation, its criticisms and its prospects for improvement; and (c) the host of deregulation proposals and the few analytic studies of deregulation.

  4. 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...

  5. 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

  6. 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.

  7. Wind Power for Municipal Utilities

    SciTech Connect

    Not Available

    2002-10-01

    Wind Power for Municipal Utilities is a trifold brochure that strives to educate municipal utility owners and operators about the benefits of investing in wind power development. It provides examples of municipal utilities that have successful wind energy projects and supportive statements from industry members.

  8. Naturalistic Study of Evaluation Utilization.

    ERIC Educational Resources Information Center

    Alkin, Marvin C.

    1980-01-01

    Case studies of educational program evaluations demonstrate that utilization of evaluative information occurs; however, its forms and the forces influencing utilization are complex. Naturalistic methods were used to study utilization. (See RIE: ED 174 666). (Available from: Jossey-Bass, Inc., 433 California St., San Francisco, CA 94104, single…

  9. Knowledge Utilization: Implications for Evaluation

    ERIC Educational Resources Information Center

    Blake, Sarah C.; Ottoson, Judith M.

    2009-01-01

    Knowledge utilization is a field crossing many sectors, from agriculture, since the 1920s, to health care today. Evaluators have made long-standing contributions to understanding knowledge utilization. Different models or ways to think about knowledge utilization have evolved to reflect different perspectives, contexts, and stages of the process,…

  10. 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…

  11. 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

  12. 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.

  13. 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.

  14. Naltrexone: its clinical utility.

    PubMed

    Ginzburg, H M

    Naltrexone is a long-acting orally-administered opioid antagonist that has demonstrated clinical utility as an adjunct in the outpatient treatment of opioid abuse. Naltrexone can be administered on a daily, twice a week or three times a week regimen, based on the clinical needs of the patient, and the therapeutic goals of the patient and therapist. Because naltrexone is unscheduled under the Controlled Substances Act, any licensed physician can prescribe this drug. This decentralized therapeutic approach for the highly motivated patient permits a ready separation between the patient's drug using friends and his or her current activities. The patients most likely to benefit from naltrexone therapy are employed, married, stabilized on low-dose methadone prior to detoxification, or detoxified from their opioid dependency 7 or more days previously, and are highly motivated to be maintained on a nonopioid chemotherapeutic agent. Naltrexone does not cure dependency. It does assist clinicians in dealing with the medical, psychological and economic problems associated with primary opioid abuse. Naltrexone will work well only when it is part of a larger therapeutic regimen which is tailored to the individual needs of the patient. PMID:3832903

  15. Urea Utilization by Leptospira

    PubMed Central

    Kadis, Solomon; Pugh, William L.

    1974-01-01

    One representative of each of five different pathogenic serotypes of Leptospira as well as one saprophytic strain were capable of growing on medium containing urea in place of an ammonium salt as a nitrogen source. Growth of all of the organisms tested on 1% urea was substantial, but only those that exhibited strong urease activity could grow to any appreciable extent on urea at a concentration as high as 2%. Intact urea-grown cells of the pathogenic serotypes tested (grippotyphosa and icterohaemorrhagiae) exhibited urease activity, with the level of activity of the former being considerably greater. No urease could be detected in cells of the saprophytic strain. When the pathogenic leptospires were sonicated or treated with toluene, the urease activity was greatly enhanced. When cultivated on NH4Cl, neither intact nor disrupted cells of any of the strains tested exhibited any urease activity. Cells of the grippotyphosa and icterohaemorrhagiae strains exhibited diauxic growth when cultivated in the presence of both NH4Cl and urea, whereas only monophasic growth could be detected for the saprophytic test strain. The experimental data on urea utilization and urease activity, when considered in the light of previously reported findings on leptospiral pathology, renal physiology, and the role of urease in other bacterial infections, suggests a significant role for leptospiral urease (in addition to other factors) in determining localization of the organism in the kidney and contributing to the resultant kidney pathology. PMID:4426709

  16. 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.

  17. Gas utilization technologies

    SciTech Connect

    Biljetina, R.

    1994-09-01

    One of the constant challenges facing the research community is the identification of technology needs 5 to 15 years from now. A look back into history indicates that the forces driving natural gas research have changed from decade to decade. In the 1970s research was driven by concerns for adequate supply; in the 1980s research was aimed at creating new markets for natural gas. What then are the driving forces for the 1990s? Recent reports from the natural gas industry have helped define a new direction driven primarily by market demand for natural gas. A study prepared by the Interstate Natural Gas Association of America Foundation entitled ``Survey of Natural Research, Development, and Demonstration RD&D Priorities`` indicated that in the 1990s the highest research priority should be for natural gas utilization and that technology development efforts should not only address efficiency and cost, but environmental and regulatory issues as well. This study and others, such as the report by the American Gas Association (A.G.A.) entitled ``Strategic Vision for Natural Gas Through the Year 2000,`` clearly identify the market sectors driving today`s technology development needs. The biggest driver is the power generation market followed by the industrial, transportation, appliance, and gas cooling markets. This is best illustrated by the GRI 1994 Baseline Projection on market growth in various sectors between the year 1992 and 2010. This paper highlights some of the recent technology developments in each one of these sectors.

  18. wssa_utils: WSSA 12 micron dust map utilities

    NASA Astrophysics Data System (ADS)

    Meisner, Aaron M.; Finkbeiner, Douglas P.

    2014-02-01

    wssa_utils contains utilities for accessing the full-sky, high-resolution maps of the WSSA 12 micron data release. Implementations in both Python and IDL are included. The code allows users to sample values at (longitude, latitude) coordinates of interest with ease, transparently mapping coordinates to WSSA tiles and performing interpolation. The wssa_utils software also serves to define a unique WSSA 12 micron flux at every location on the sky.

  19. 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

  20. Utility Computing: Reality and Beyond

    NASA Astrophysics Data System (ADS)

    Ivanov, Ivan I.

    Utility Computing is not a new concept. It involves organizing and providing a wide range of computing-related services as public utilities. Much like water, gas, electricity and telecommunications, the concept of computing as public utility was announced in 1955. Utility Computing remained a concept for near 50 years. Now some models and forms of Utility Computing are emerging such as storage and server virtualization, grid computing, and automated provisioning. Recent trends in Utility Computing as a complex technology involve business procedures that could profoundly transform the nature of companies' IT services, organizational IT strategies and technology infrastructure, and business models. In the ultimate Utility Computing models, organizations will be able to acquire as much IT services as they need, whenever and wherever they need them. Based on networked businesses and new secure online applications, Utility Computing would facilitate "agility-integration" of IT resources and services within and between virtual companies. With the application of Utility Computing there could be concealment of the complexity of IT, reduction of operational expenses, and converting of IT costs to variable `on-demand' services. How far should technology, business and society go to adopt Utility Computing forms, modes and models?

  1. 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.

  2. Utility solar water heating workshops

    SciTech Connect

    Barrett, L.B.

    1992-01-01

    The objective of this project was to explore the problems and opportunities for utility participation with solar water heating as a DSM measure. Expected benefits from the workshops included an increased awareness and interest by utilities in solar water heating as well as greater understanding by federal research and policy officials of utility perspectives for purposes of planning and programming. Ultimately, the project could result in better information transfer, increased implementation of solar water heating programs, greater penetration of solar systems, and more effective research projects. The objective of the workshops was satisfied. Each workshop succeeded in exploring the problems and opportunities for utility participation with solar water heating as a DSM option. The participants provided a range of ideas and suggestions regarding useful next steps for utilities and NREL. According to evaluations, the participants believed the workshops were very valuable, and they returned to their utilities with new information, ideas, and commitment.

  3. (Metal-Organic Framework)-Polyaniline sandwich structure composites as novel hybrid electrode materials for high-performance supercapacitor

    NASA Astrophysics Data System (ADS)

    Guo, ShuaiNan; Zhu, Yong; Yan, YunYun; Min, YuLin; Fan, JinChen; Xu, QunJie; Yun, Hong

    2016-06-01

    Carbonized Zn-(Metal-Organic Framework)MOF- polyaniline composites for high performance of supercapacitor have been developed from zinc acetate, 8-Hydroxyquinoline, and aniline via a simple process. The as-synthesized product has been characterized by X-ray powder diffraction (XRD), Scanning electron microscopy(SEM), Fourier transform infrared spectra (FT-IR), Transmission electron microscope (TEM). The electrochemical properties of carbonized Zn-MOF/polyaniline electrode were investigated by current charge-discharge and cyclic voltammetry. The specific capacitance of MOF/PANI has been approach to be as high as 477 F g-1 at a current density of 1 A g-1.

  4. 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

  5. School Broadcast Utilization in Japan.

    ERIC Educational Resources Information Center

    Akiyama, Takashiro

    A school broadcast utilization survey was conducted between September and November 1975 from a total of 73,048 kindergartens, nurseries, primary schools, junior high schools, senior high schools, and special schools in Japan. Survey questions focused on the usage rates of TV, radio, and VTR as well as utilization of NHK's TV and radio school…

  6. 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.

  7. 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.

  8. Sulphonate utilization by enteric bacteria.

    PubMed

    Uria-Nickelsen, M R; Leadbetter, E R; Godchaux, W

    1993-02-01

    A variety of sulphonates were tested for their ability to serve as nutrients for Escherichia coli, Enterobacter aerogenes and Serratia marcescens. Cysteate, taurine and isethionate could not serve as sole sources of carbon and energy but, under aerobic conditions, could be utilized as sources of sulphur. Both sulphate and sulphonate supported equivalent cell yields, but the generation times varied with the sulphonate being metabolized. The sulphonate-S of HEPES buffer, dodecane sulphonate and methane sulphonate was also utilized by some strains, whereas the sulphonate-S of taurocholate was not. None of the sulphonates tested served as a sulphur source for growth under anaerobic conditions. Sulphonate utilization appears to be a constitutive trait; surprisingly, however, cells of E. coli and Ent. aerogenes utilized sulphate-S in preference to that of sulphonate, when both were present. E. coli mutants unable to use sulphate as a source of sulphur because of deficiencies in sulphate permease, ATP sulphurylase, adenylylsulphate kinase (APS kinase) or glutaredoxin and thioredoxin were able to utilize sulphonates; hence sulphate is not an obligatory intermediate in sulphonate utilization. However, mutants deficient in sulphite reductase were unable to utilize sulphonates; therefore, this enzyme must be involved in sulphonate utilization, though it is not yet known whether it acts upon the sulphonates themselves or upon the inorganic sulphite derived from them. PMID:8436944

  9. Utility photovoltaic group: Status report

    NASA Astrophysics Data System (ADS)

    Serfass, Jeffrey A.; Hester, Stephen L.; Wills, Bethany N.

    1996-01-01

    The Utility PhotoVoltaic Group (UPVG) was formed in October of 1992 with a mission to accelerate the use of cost-effective small-scale and emerging grid-connected applications of photovoltaics for the benefit of electric utilities and their customers. The UPVG is now implementing a program to install up to 50 megawatts of photovoltaics in small-scale and grid-connected applications. This program, called TEAM-UP, is a partnership of the U.S. electric utility industry and the U.S. Department of Energy to help develop utility PV markets. TEAM-UP is a utility-directed program to significantly increase utility PV experience by promoting installations of utility PV systems. Two primary program areas are proposed for TEAM-UP: (1) Small-Scale Applications (SSA)—an initiative to aggregate utility purchases of small-scale, grid-independent applications; and (2) Grid-Connected Applications (GCA)—an initiative to identify and competitively award cost-sharing contracts for grid-connected PV systems with high market growth potential, or collective purchase programs involving multiple buyers. This paper describes these programs and outlines the schedule, the procurement status, and the results of the TEAM-UP process.

  10. 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.

  11. 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

  12. Electric utility survey of residential ventilation issues. Final report

    SciTech Connect

    Moraski, D.P.; Smit, K.L.; Tidball, R.K.

    1994-06-01

    Many utilities are promoting tightly-sealed homes to improve energy efficiency, and it is important to understand the implications of a well-sealed structure on indoor air quality (IAQ). With Electric Power Research Institute (EPRI) support, Energy International conducted a nationwide survey of electric utilities to determine utility understanding of IAQ and ventilation issues. A total of 35 utilities were contacted for this survey. Utilities known to be active in the ventilation area were specifically targeted. The remaining utilities were chosen to gain a balanced geographical and size representation. A survey form was completed for each utility, providing a consistent platform for the survey. The results of the survey indicate a mixed awareness and interest in ventilation issues. Of the 35 utilities contacted, 10 were concerned with IAQ issues and were taking steps to alleviate potential problems through ventilation. Eight of the utilities believed that IAQ issues may be important in the future but have not yet implemented ventilation requirements or recommendations. The remaining 17 utilities did not express a significant concern with IAQ and did not foresee future problems. The utilities surveyed had only moderate concern with detailed ventilation issues such as infiltration measurements, spot vs. Whole house ventilation, source control vs. dilution, and control strategies. The most important utility concerns appear to be questions about the basic need for IAQ controls, and the cost-benefit analysis of energy efficient homes that require additional ventilation equipment. The utilities contacted that are concerned with IAQ generally have several mechanical ventilation system options to meet recommendations.

  13. Precursor SSF utilization: The MODE experiments

    NASA Technical Reports Server (NTRS)

    Crawley, Edward F.

    1992-01-01

    The MIT Space Engineering Research Center is the principal investigator for a series of experiments which utilize the Shuttle Middeck as an engineering dynamics laboratory. The first, which flew on STS-48 in Sep. 1991, was the Middeck O-gravity Dynamics Experiment (MODE). This experiment focused on the dynamics of a scaled deployable truss, similar to that of SSF, and contained liquids in tanks. MODE will be reflown in the fall of 1993. In mid-1994, the Middeck Active Control Experiment (MACE) will examine the issues associated with predicting and verifying the closed loop behavior of a controlled structure in zero gravity. The paper will present experiment background, planning, operational experience, results, and lessons learned from these experiments which are pertinent to SSF utilization.

  14. Utilization of the EBIS with RFQ linacs

    SciTech Connect

    Hamm, R.W.; Wangler, T.P.

    1981-01-01

    The radio-frequency quadrupole (RFQ) is a new linear accelerator structure in which rf electric fields are used to simultaneously focus, bunch, and accelerate an ion beam. Since the RFQ can provide strong focusing and adiabatic bunching at low velocities, it can capture almost all of the ions extracted from an Electron Beam Ion Source (EBIS) at a low voltage and accelerate them to an energy of 1 to 2 MeV/nucleon in a distance of only a few meters. A successful test at the Los Alamos National Laboratory has confirmed the calculated performance of this structure and has stimulated interest in its use with the EBIS for a variety of applications. The general properties of the RFQ are reviewed, and the utilization of the EBIS with this structure is discussed. Several design examples of this combination are also presented.

  15. 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

  16. Utility robotic planning: case studies

    SciTech Connect

    Roman, H.T.; Travato, S.A.; Irving, T.L.; Patnaude, L.G.

    1986-03-01

    Currently, the utility use of robotic devices is most appropriate in nuclear power plants. Four utilities are currently approaching the task of robotic applications. The planning program of each of the utilities is discussed. The following similarities of approach are noted: Plant operating personnel are surveyed for application ideas, and a company task force is established involving these personnel to determine specific application needs and cost-benefit. The state-of-the-art of various robotic devices is evaluated and selected equipment is tested in existing plants. The robotic experience gained from nuclear plant applications is extended to other non-nuclear areas. 2 figures, 1 table.

  17. 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

  18. 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...

  19. Utility Bill Analysis Saves Money.

    ERIC Educational Resources Information Center

    Lucht, Ray; Dembowski, Frederick L.

    1987-01-01

    Analysis of school utility bills is a good business practice for administrators. Efficient energy management of equipment is measured by the "load factor"--the ratio of average demand to maximum demand. An audit enables control of this factor. (CJH)

  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. 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)

  2. Structure of L-Xylulose-5-Phosphate 3-Epimerase (UlaE) from the Anaerobic L-Ascorbate Utilization Pathway of Escherichia coli: Identification of a Novel Phosphate Binding Motif within a TIM Barrel Fold

    SciTech Connect

    Shi, Rong; Pineda, Marco; Ajamian, Eunice; Cui, Qizhi; Matte, Allan; Cygler, Miroslaw

    2009-01-15

    Three catabolic enzymes, UlaD, UlaE, and UlaF, are involved in a pathway leading to fermentation of L-ascorbate under anaerobic conditions. UlaD catalyzes a {beta}-keto acid decarboxylation reaction to produce L-xylulose-5-phosphate, which undergoes successive epimerization reactions with UlaE (L-xylulose-5-phosphate 3-epimerase) and UlaF (L-ribulose-5-phosphate 4-epimerase), yielding D-xylulose-5-phosphate, an intermediate in the pentose phosphate pathway. We describe here crystallographic studies of UlaE from Escherichia coli O157:H7 that complete the structural characterization of this pathway. UlaE has a triosephosphate isomerase (TIM) barrel fold and forms dimers. The active site is located at the C-terminal ends of the parallel {beta}-strands. The enzyme binds Zn{sup 2+}, which is coordinated by Glu155, Asp185, His211, and Glu251. We identified a phosphate-binding site formed by residues from the {beta}1/{alpha}1 loop and {alpha}3' helix in the N-terminal region. This site differs from the well-characterized phosphate-binding motif found in several TIM barrel superfamilies that is located at strands {beta}7 and {beta}8. The intrinsic flexibility of the active site region is reflected by two different conformations of loops forming part of the substrate-binding site. Based on computational docking of the L-xylulose 5-phosphate substrate to UlaE and structural similarities of the active site of this enzyme to the active sites of other epimerases, a metal-dependent epimerization mechanism for UlaE is proposed, and Glu155 and Glu251 are implicated as catalytic residues. Mutation and activity measurements for structurally equivalent residues in related epimerases supported this mechanistic proposal.

  3. 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

  4. Structure of l-Xylulose-5-Phosphate 3-Epimerase (UlaE) from the Anaerobic l-Ascorbate Utilization Pathway of Escherichia coli: Identification of a Novel Phosphate Binding Motif within a TIM Barrel Fold▿

    PubMed Central

    Shi, Rong; Pineda, Marco; Ajamian, Eunice; Cui, Qizhi; Matte, Allan; Cygler, Miroslaw

    2008-01-01

    Three catabolic enzymes, UlaD, UlaE, and UlaF, are involved in a pathway leading to fermentation of l-ascorbate under anaerobic conditions. UlaD catalyzes a β-keto acid decarboxylation reaction to produce l-xylulose-5-phosphate, which undergoes successive epimerization reactions with UlaE (l-xylulose-5-phosphate 3-epimerase) and UlaF (l-ribulose-5-phosphate 4-epimerase), yielding d-xylulose-5-phosphate, an intermediate in the pentose phosphate pathway. We describe here crystallographic studies of UlaE from Escherichia coli O157:H7 that complete the structural characterization of this pathway. UlaE has a triosephosphate isomerase (TIM) barrel fold and forms dimers. The active site is located at the C-terminal ends of the parallel β-strands. The enzyme binds Zn2+, which is coordinated by Glu155, Asp185, His211, and Glu251. We identified a phosphate-binding site formed by residues from the β1/α1 loop and α3′ helix in the N-terminal region. This site differs from the well-characterized phosphate-binding motif found in several TIM barrel superfamilies that is located at strands β7 and β8. The intrinsic flexibility of the active site region is reflected by two different conformations of loops forming part of the substrate-binding site. Based on computational docking of the l-xylulose 5-phosphate substrate to UlaE and structural similarities of the active site of this enzyme to the active sites of other epimerases, a metal-dependent epimerization mechanism for UlaE is proposed, and Glu155 and Glu251 are implicated as catalytic residues. Mutation and activity measurements for structurally equivalent residues in related epimerases supported this mechanistic proposal. PMID:18849419

  5. 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

  6. Enduring values of municipal utilities

    SciTech Connect

    Telly, C.S.; Grove, J.F.

    1981-05-01

    The value of municipal utilities is assessed in terms of their social responsibility, the political responsiveness of the owners, and pricing policy - issues which conflict with the traditional concept of corporate responsibility to the shareholder and which reveal a growing demand for accountability. Although municipal utilities are only a small part of the economic, legal, and political setting, they contribute as a small, locally-controlled natural monopoly to the American goals of democracy and self-determination. (DCK)

  7. 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.

  8. 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.

  9. Omaha utility tests trenchless units

    SciTech Connect

    Not Available

    1992-04-01

    Like all gas utilities, Metropolitan Utility District of Omaha, Neb., is always looking for better, more efficient ways of installing underground facilities. The utility's growth plan was having an effect on the type of work performed by the construction division. Gas main installations in fully developed, all-electric subdivisions were becoming more common. This paper reports that this type of work involved extensive restoration when performed by conventional methods, due to the presence of established lawns, landscaping, driveways and other underground utilities, that added significantly to the overall cost of the project. Disruption of the lawns was an inconvenience and nuisance to the utility's customers, which the district wanted to minimize in the interest of good customer and public relations. As a result, the utility scheduled field demonstrations by various boring equipment makers. After several less-than-successful demonstrations by various manufacturers, the MUD contacted Midwest Pow-R Mole Co. Inc., for a test of the new Pow-R Mole directional boring system. The system was developed by Pow-R Devices Inc., Clarence Center, N.Y.

  10. 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

  11. 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

  12. 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

  13. The effect of regulation on the professionally managed utility

    SciTech Connect

    Czamanski, O.Z.

    1980-12-01

    Mixed empirical evidence concerning the A-J effect suggests that regulatory constraints affect utilities differently, depending upon their organizational structure. An important characteristic of firms is the concern for profits on the part of managements. This concern is related to the extent that management owns the firms' residual claims. In the case of many utilities, professional management means divorce of ownership from the firm's decision-making.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. Utilization of residual forest biomass

    SciTech Connect

    Hakkila, P.

    1989-01-01

    The first world-wide energy crisis in the early 1970s resulted in an explosive increase in both the number and diversity of studies on unmerchantable tree components such as tops, branches, foliage, stumps, and roots, and on whole small-sized trees. This book presents a synopsis and the latest information on forest biomass utilization and the potential of this renewable raw material resource, presented from an interdisciplinary viewpoint. This balanced review of scientific literature as well as recent practical developments and experience in forest biomass utilization covers various aspects of quantity and properties of the resource, harvesting and transport, ecological consequences of intensive biomass recovery, comminution and upgrading, utilization for pulp, paper, composite boards, fodder, and energy in solid, liquid, or gaseous form.

  19. 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.

  20. Cpp Utility - Version 1.0

    SciTech Connect

    III, FredOppel; Rigdon, J. Brian

    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.

  1. Space platform utilities distribution study

    NASA Technical Reports Server (NTRS)

    Lefever, A. E.

    1980-01-01

    Generic concepts for the installation of power data and thermal fluid distribution lines on large space platforms were discussed. Connections with central utility subsystem modules and pallet interfaces were also considered. Three system concept study platforms were used as basepoints for the detail development. The tradeoff of high voltage low voltage power distribution and the impact of fiber optics as a data distribution mechanism were analyzed. Thermal expansion and temperature control of utility lines and ducts were considered. Technology developments required for implementation of the generic distribution concepts were identified.

  2. In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.

    PubMed

    Costanzo, Michael J; Almond, Harold R; Hecker, Leonard R; Schott, Mary R; Yabut, Stephen C; Zhang, Han-Cheng; Andrade-Gordon, Patricia; Corcoran, Thomas W; Giardino, Edward C; Kauffman, Jack A; Lewis, Joan M; de Garavilla, Lawrence; Haertlein, Barbara J; Maryanoff, Bruce E

    2005-03-24

    Thrombin inhibitors are potentially useful in medicine for their anticoagulant and antithrombotic effects. We synthesized and evaluated diverse heterocycle-activated ketones based on the d-Phe-Pro-Arg, and related thrombin active-site recognition motifs, as candidate inhibitors. The peptide-based alpha-ketoheterocycles were typically prepared by either an imidate or a Weinreb amide route (Schemes 1 and 2), the latter of which proved to be more general. Test compounds were generally assayed for inhibition of human alpha-thrombin and bovine trypsin. From a structure-based design standpoint, the heterocycle allows one to explore and adjust interactions within the S1' subsite of thrombin. The preferred alpha-ketoheterocycle is a pi-rich 2-substituted azole with at least two heteroatoms proximal to the carbon bearing the keto group, and a preferred thrombin inhibitor is 2-ketobenzothiazole 3, with a potent K(i) value of 0.2 nM and ca. 15-fold selectivity over trypsin. 2-Ketobenzothiazole 13 exhibited exceedingly potent thrombin inhibition (K(i) = 0.000 65 nM; slow tight binding). Several alpha-ketoheterocycles had thrombin K(i) values in the range 0.1-400 nM. The "Arg" unit in the alpha-ketoheterocycles can be sensitive to stereomutation under mildy basic conditions. For example, 2-ketothiazoles 4 and 59 readily epimerize at pH 7.4, although they are fairly stable stereochemically at pH 3-4; thus, suitable conditions had to be selected for the enzymatic assays. Lead d-Phe-Pro-Arg 2-benzothiazoles 3, 4, and 68 displayed good selectivity for thrombin over other key coagulation enzymes (e.g., factor Xa, plasmin, protein Ca, uPA, tPA, and streptokinase); however, their selectivity for thrombin over trypsin was modest (<25-fold). Compounds 3, 4, and 68 exhibited potent in vitro antithrombotic activity as measured by inhibition of gel-filtered platelet aggregation induced by alpha-thrombin (IC(50) = 30-40 nM). They also proved to be potent anticoagulant/antithrombotic agents

  3. 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.

  4. Utility scores for vesicoureteral reflux and anti-reflux surgery

    PubMed Central

    Nelson, Caleb; Routh, Jonathan C.; Logvinenko, Tanya; Rosoklija, Ilina; Kokorowski, Paul; Prosser, Lisa A.; Schuster, Mark A.

    2015-01-01

    Summary Background Management of vesicoureteral reflux (VUR) continues to be controversial. In conditions of uncertainty, decision analytic techniques such as cost-utility analysis (CUA) can help to structure the decision-making process. However, CUA analyses require a “utility,” a value between 0 (death) and 1 (perfect health) corresponding to the quality of life associated with a health state. Ideally, utility values are elicited directly from representative community samples, but utilities have not been rigorously measured for pediatric urology conditions. Objectives To elicit utility scores for VUR and open anti-reflux surgery (ARS) from a representative, well-characterized community sample of adults who have been parents. Methods Cross-sectional survey of nationally representative adults who had ever been parents. Each respondent saw one of four descriptions of VUR, with or without continuous antibiotic prophylaxis (CAP) and occurrence of febrile urinary tract infection (UTI). A 6-week postoperative health state following ARS was also assessed. We used the time trade-off (TTO) method to elicit utility scores. Factors associated with utility score were assessed with a multivariate linear regression model. Results The survey was completed by 1200 individuals. Data were weighted to adjust for demographic differences between responders and non-responders. Mean age was 52 ± 15 years, 44% were male, and 68% were White. In terms of education, 29% had a college degree or higher. The mean utility score for VUR overall was 0.82 ± 0.28. VUR utility scores did not differ significantly based on inclusion of CAP or UTI in the health state description (p=0.21). The 6-week postoperative period garnered a utility of 0.71 ± 0.43. Discussion Our results showed that VUR has a mean utility score of 0.82, which indicates that the community perceives this condition to be a substantial burden. For comparison, conditions with similar utility scores include compensated hepatitis

  5. Zymomonas with improved xylose utilization

    DOEpatents

    Viitanen, Paul V.; Tao, Luan; Zhang, Yuying; Caimi, Perry G.; McCutchen, Carol M.; McCole, Laura; Zhang, Min; Chou, Yat-Chen; Franden, Mary Ann

    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.

  6. 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)

  7. 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...

  8. 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.

  9. 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.

  10. NASA Technology Utilization Program overview

    NASA Technical Reports Server (NTRS)

    Mogavero, L.

    1977-01-01

    The NASA aerospace technology transfer process is examined with attention given to the activities of the Technology Utilization Office. Industrial applications centers at universities, a center for the dissemination of computer programs, technology and biomedical application teams, and publications are considered.

  11. 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.

  12. 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.

  13. 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.

  14. 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).

  15. 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…

  16. LLNL E-Mail Utilities

    SciTech Connect

    Dellamaggiore, N. J.; Hamel, B. B.

    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.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. The market for utility-owned generating assets

    SciTech Connect

    Bodington, J.

    1995-12-31

    Hold decommission, or sell? For many utilities, that is the question. Utility-owned generating assets are becoming available and they can be attractive acquisitions for independent owners. While the domestic market for power projects has been busy, activity in this market is now escalating due regulated utilities who are offering rate-based projects for redevelopment and sale. Generating assets that have been in utilities` rate bases for as long as 70 years are coming to market, and sales of these projects can yield transactions that benefit both the selling utilities and the purchasing new owners. Big Rivers Electric Corp., Commonwealth Edison, Niagara Mohawk Power, and Pacific Gas and Electric are examples of utilities who have offered selected assets to new, independent owners. A few transactions have closed, new owners can add value that is difficult for a utility to realize, careful and creative deal structures are essential, and potential buyers need to appreciate that some acquirers are uniquely positioned to win competitive solicitations.

  5. 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

  6. 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.

  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. Utilization management for residential programs.

    PubMed

    Kidd, Sean A; Styron, Thomas H; Carlson, Shelly; Hoge, Michael

    2004-07-01

    This paper reviews recent literature on utilization management (UM) in community-based supportive residential programs for people with behavioral disorders. Various approaches for facilitating placement and movement are discussed in the context of an effort to develop a residential UM process in New Haven, Connecticut. Recommendations are made for a residential UM process that may be applied to a range of service systems. It takes into account the methodological difficulties inherent in the development of generalizable decision tools. PMID:15478874

  9. 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.

  10. Vibration attenuation of aircraft structures utilizing active materials

    NASA Astrophysics Data System (ADS)

    Agnes, Gregory S.; Whitehouse, Stephen R.; Mackaman, John R.

    1993-09-01

    The need for active vibration control for airborne laser systems was demonstrated during the late 1970s by the Airborne Laser Laboratory. Other possible applications include sonic fatigue alleviation, reduction of buffet induced fatigue, vibration control for embedded antennae, and active aeroelastic control. The purpose of this paper is to present an overview of active vibration control technology and its application to aircraft. Classification of classic aircraft vibration problems and currently available solutions are used to provide a framework for the study. Current solutions are classified as being either passive or active and by the methodology (modal modification or addition) used to reduce vibration. Possible applications for this technology in aircraft vibration control are presented within this framework to demonstrate the increased versatility active materials technologies provide the designer. An in- depth study of an active pylon to reduce wing/store vibration is presented as an example. Finally, perceived gaps in the existing technology base are identified and both on-going and future research plans in these areas are discussed.

  11. Microbial utilization and selectivity of pectin fractions with various structures.

    PubMed

    Onumpai, Chatchaya; Kolida, Sofia; Bonnin, Estelle; Rastall, Robert A

    2011-08-15

    To evaluate the fermentation properties of oligosaccharides derived from pectins and their parent polysaccharides, a 5-ml-working-volume, pH- and temperature-controlled fermentor was tested. Six pectic oligosaccharides representing specific substructures found within pectins were prepared. These consisted of oligogalacturonides (average degrees of polymerization [DP] of 5 and 9), methylated oligogalacturonides (average DP of 5), oligorhamnogalacturonides (average DP of 10 as a disaccharide unit of galacturonic acid and rhamnose), oligogalactosides (average DP of 5), and oligoarabinosides (average DP of 6). The influence of these carbohydrates on the human fecal microbiota was evaluated. Use of neutral sugar fractions resulted in an increase in Bifidobacterium populations and gave higher organic acid yields. The Bacteroides-Prevotella group significantly increased on all oligosaccharides except oligogalacturonides with an average DP of 5. The most selective substrates for bifidobacteria were arabinan, galactan, oligoarabinosides, and oligogalactosides. PMID:21724897

  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. Tendencies in the development of utilization protocols, seminar report

    NASA Astrophysics Data System (ADS)

    Roveri, A.

    1983-07-01

    The open system interconnections model (OSI) structured approach to specify protocols is discussed. A stratification in seven levels characterizes the architecture of the system. Transfer level protocol characterization of utilization protocols in the OSI model, data flow control, and presentation and application levels are described.

  14. 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.…

  15. The Genesis of a Stakeholder Strategy for Evaluation Utilization.

    ERIC Educational Resources Information Center

    Stalford, Charles B.

    Part of a forum on a Federal offices' search for a strategy to gain better evaluation utilization, this paper discusses the strategy's conception. Three categories of educational evaluations, defined by social and structural characteristics of the program environment, are identified: (1) trial evaluations, whose funding is not guaranteed beyond…

  16. Truly trapped rainbow by utilizing nonreciprocal waveguides.

    PubMed

    Liu, Kexin; He, Sailing

    2016-01-01

    The concept of a "trapped rainbow" has generated considerable interest for optical data storage and processing. It aims to trap different frequency components of the wave packet at different positions permanently. However, all the previously proposed structures cannot truly achieve this effect, due to the difficulties in suppressing the reflection caused by strong intermodal coupling and distinguishing different frequency components simultaneously. In this article, we found a physical mechanism to achieve a truly "trapped rainbow" storage of electromagnetic wave. We utilize nonreciprocal waveguides under a tapered magnetic field to achieve this and such a trapping effect is stable even under fabrication disorders. We also observe hot spots and relatively long duration time of the trapped wave around critical positions through frequency domain and time domain simulations. The physical mechanism we found has a variety of potential applications ranging from wave harvesting and storage to nonlinearity enhancement. PMID:27453496

  17. Truly trapped rainbow by utilizing nonreciprocal waveguides

    NASA Astrophysics Data System (ADS)

    Liu, Kexin; He, Sailing

    2016-07-01

    The concept of a “trapped rainbow” has generated considerable interest for optical data storage and processing. It aims to trap different frequency components of the wave packet at different positions permanently. However, all the previously proposed structures cannot truly achieve this effect, due to the difficulties in suppressing the reflection caused by strong intermodal coupling and distinguishing different frequency components simultaneously. In this article, we found a physical mechanism to achieve a truly “trapped rainbow” storage of electromagnetic wave. We utilize nonreciprocal waveguides under a tapered magnetic field to achieve this and such a trapping effect is stable even under fabrication disorders. We also observe hot spots and relatively long duration time of the trapped wave around critical positions through frequency domain and time domain simulations. The physical mechanism we found has a variety of potential applications ranging from wave harvesting and storage to nonlinearity enhancement.

  18. Truly trapped rainbow by utilizing nonreciprocal waveguides

    PubMed Central

    Liu, Kexin; He, Sailing

    2016-01-01

    The concept of a “trapped rainbow” has generated considerable interest for optical data storage and processing. It aims to trap different frequency components of the wave packet at different positions permanently. However, all the previously proposed structures cannot truly achieve this effect, due to the difficulties in suppressing the reflection caused by strong intermodal coupling and distinguishing different frequency components simultaneously. In this article, we found a physical mechanism to achieve a truly “trapped rainbow” storage of electromagnetic wave. We utilize nonreciprocal waveguides under a tapered magnetic field to achieve this and such a trapping effect is stable even under fabrication disorders. We also observe hot spots and relatively long duration time of the trapped wave around critical positions through frequency domain and time domain simulations. The physical mechanism we found has a variety of potential applications ranging from wave harvesting and storage to nonlinearity enhancement. PMID:27453496

  19. Utility integration issues of residential photovoltaic systems

    NASA Astrophysics Data System (ADS)

    Yamayee, Z. A.; Peschon, J.

    1981-05-01

    The economic aspects of residential solar photovoltaic (SPV) systems are discussed from the electric utility perspective. The following schemes of SPV integration are considered: (1) SPV with complete utility buy-back and backup; (2) SPV with utility system storage; and (3) SPV with residential storage. Estimates are made of the price that the utility might pay for SPV owner's surplus energy compared to what it would charge for deficits by evaluating economic savings of SVP to the utility.

  20. Waterproof Raised Floor Makes Utility Lines Accessible

    NASA Technical Reports Server (NTRS)

    Cohen, M. M.

    1984-01-01

    Floor for laboratories, hospitals and factories waterproof yet allows access to subfloor utilities. Elevated access floor system designed for installations with multitude of diverse utility systems routed under and up through floor and requirement of separation of potentially conflicting utility services. Floor covered by continuous sheet of heat resealable vinyl. Floor system cut open when changes are made in utility lines and ducts. After modifications, floor covering resealed to protect subfloor utilities from spills and leaks.

  1. Other Fabric Structures

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Architects, engineers and building owners are turning increasingly to fabric structures because of their aesthetic appeal, relatively low initial cost, low maintenance outlays, energy efficiency and good space utilization. Several examples are shown.

  2. 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.

  3. 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.

  4. 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.

  5. Thermal storage for electric utilities

    NASA Technical Reports Server (NTRS)

    Swet, C. J.; Masica, W. J.

    1977-01-01

    Applications of the thermal energy storage (TES) principle (storage of sensible heat or latent heat, or heat storage in reversible chemical reactions) in power systems are evaluated. Load leveling behind the meter, load following at conventional thermal power plants, solar thermal power generation, and waste heat utilization are the principal TES applications considered. Specific TES examples discussed include: storage heaters for electric-resistance space heating, air conditioning TES in the form of chilled water or eutectic salt baths, hot water TES, and trans-seasonal storage in heated water in confined aquifers.

  6. 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.

  7. An Exploration of the Utility of a Knowledge Utilization Framework to Study the Gap between Reading Disabilities Research and Practice

    ERIC Educational Resources Information Center

    Davidson, Katherine; Nowicki, Elizabeth

    2012-01-01

    This pre-pilot study explored the usefulness of a knowledge utilization framework comprised of Knott and Wildavsky's (1980) seven stages of knowledge use and Stone's (2002) three routes to knowledge use to investigate the gap between reading disabilities research and teachers' self-reported use of that research. Semi-structured interviews of ten…

  8. Utilization of medical services by psychiatric patients.

    PubMed

    Norfleet, M A; Burnell, G M

    1981-03-01

    The relationship between medical and psychiatric utilization of services was examined in a two-year study of two groups of psychiatric patients: high users of psychiatric services (more than ten visits in one year) and low users of psychiatric services (ten or fewer visits in one year). The high-utilization group made more than 60 per cent of the total psychiatric visits in the two-year period, but only 21 per cent of the total medical visits. However, patients in this group increased their utilization of medical services when psychiatric utilization was reduced, raising the question of whether high-utilization patients tend to substitute medical visits for psychiatric visits. In contrast, patients in the low-utilization group were able to hold their medical utilization constant when they reduced psychiatric utilization. Analysis of factors influencing utilization patterns might allow illness behavior in patients to be predetermined and lead to better and more cost-effective health care. PMID:7203418

  9. 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

  10. 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.

  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. 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.

  13. 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.

  14. Nonconcave Utility Maximisation in the MIMO Broadcast Channel

    NASA Astrophysics Data System (ADS)

    Brehmer, Johannes; Utschick, Wolfgang

    2008-12-01

    The problem of determining an optimal parameter setup at the physical layer in a multiuser, multiantenna downlink is considered. An aggregate utility, which is assumed to depend on the users' rates, is used as performance metric. It is not assumed that the utility function is concave, allowing for more realistic utility models of applications with limited scalability. Due to the structure of the underlying capacity region, a two step approach is necessary. First, an optimal rate vector is determined. Second, the optimal parameter setup is derived from the optimal rate vector. Two methods for computing an optimal rate vector are proposed. First, based on the differential manifold structure offered by the boundary of the MIMO BC capacity region, a gradient projection method on the boundary is developed. Being a local algorithm, the method converges to a rate vector which is not guaranteed to be a globally optimal solution. Second, the monotonic structure of the rate space problem is exploited to compute a globally optimal rate vector with an outer approximation algorithm. While the second method yields the global optimum, the first method is shown to provide an attractive tradeoff between utility performance and computational complexity.

  15. Trade-off decisions in distribution utility management

    NASA Astrophysics Data System (ADS)

    Slavickas, Rimas Anthony

    As a result of the "unbundling" of traditional monopolistic electricity generation and transmission enterprises into a free-market economy, power distribution utilities are faced with very difficult decisions pertaining to electricity supply options and quality of service to the customers. The management of distribution utilities has become increasingly complex, versatile, and dynamic to the extent that conventional, non-automated management tools are almost useless and obsolete. This thesis presents a novel and unified approach to managing electricity supply options and quality of service to customers. The technique formulates the problem in terms of variables, parameters, and constraints. An advanced Mixed Integer Programming (MIP) optimization formulation is developed together with novel, logical, decision-making algorithms. These tools enable the utility management to optimize various cost components and assess their time-trend impacts, taking into account the intangible issues such as customer perception, customer expectation, social pressures, and public response to service deterioration. The above concepts are further generalized and a Logical Proportion Analysis (LPA) methodology and associated software have been developed. Solutions using numbers are replaced with solutions using words (character strings) which more closely emulate the human decision-making process and advance the art of decision-making in the power utility environment. Using practical distribution utility operation data and customer surveys, the developments outlined in this thesis are successfully applied to several important utility management problems. These involve the evaluation of alternative electricity supply options, the impact of rate structures on utility business, and the decision of whether to continue to purchase from a main grid or generate locally (partially or totally) by building Non-Utility Generation (NUG).

  16. Advanced clean coal utilization technologies

    SciTech Connect

    Moritomi, Hiroshi

    1993-12-31

    The most important greenhouse gas is CO{sub 2} from coal utilization. Ways of mitigating CO{sub 2} emissions include the use of alternative fuels, using renewable resources and increasing the efficiency of power generation and end use. Adding to such greenhouse gas mitigation technologies, post combustion control by removing CO{sub 2} from power station flue gases and then storing or disposing it will be available. Although the post combustion control have to be evaluated in a systematic manner relating them to whether they are presently available technology, to be available in the near future or long term prospects requiring considerable development, it is considered to be a less promising option owing to the high cost and energy penalty. By contrast, abatement technologies aimed at improving conversion efficiency or reducing energy consumption will reduce emissions while having their own commercial justification.

  17. Serine utilization by Klebsiella aerogenes.

    PubMed Central

    Vining, L C; Magasanik, B

    1981-01-01

    Klebsiella aerogenes was found to contain a specific L-serine dehydrase that was induced by threonine, glycine or leucine, but not by its substrate. Cellular concentrations were sensitive to carbon rather than nitrogen sources in the growth medium. A nonspecific isoleucine-sensitive L-threonine dehydrase supplemented the specific L-serine dehydrase activity. K. aerogenes also contains a leucine-inducible L-threonine dehydrogenase which probably initiated a threonine-utilization pathway in which the serine-specific dehydrate participated. Strains that were altered in their ability to metabolize serine differed in either L-serine dehydrase or L-threonine dehydrase activity. Thus, K. aerogenes growing on L-serine as a sole nitrogen source relies upon two enzymes that metabolize the amino acid as subsidiary functions. PMID:6783624

  18. 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.

  19. Molecular mechanisms of thiamine utilization.

    PubMed

    Singleton, C K; Martin, P R

    2001-05-01

    Thiamine is required for all tissues and is found in high concentrations in skeletal muscle, heart, liver, kidneys and brain. A state of severe depletion is seen in patients on a strict thiamine-deficient diet in 18 days, but the most common cause of thiamine deficiency in affluent countries is alcoholism. Thiamine diphosphate is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. The enzymes are important in the biosynthesis of a number of cell constituents, including neurotransmitters, and for the production of reducing equivalents used in oxidant stress defenses and in biosyntheses and for synthesis of pentoses used as nucleic acid precursors. Because of the latter fact, thiamine utilization is increased in tumor cells. Thiamine uptake by the small intestines and by cells within various organs is mediated by a saturable, high affinity transport system. Alcohol affects thiamine uptake and other aspects of thiamine utilization, and these effects may contribute to the prevalence of thiamine deficiency in alcoholics. The major manifestations of thiamine deficiency in humans involve the cardiovascular (wet beriberi) and nervous (dry beriberi, or neuropathy and/or Wernicke-Korsakoff syndrome) systems. A number of inborn errors of metabolism have been described in which clinical improvements can be documented following administration of pharmacological doses of thiamine, such as thiamine-responsive megaloblastic anemia. Substantial efforts are being made to understand the genetic and biochemical determinants of inter-individual differences in susceptibility to development of thiamine deficiency-related disorders and of the differential vulnerabilities of tissues and cell types to thiamine deficiency. PMID:11899071

  20. Laboratory cost and utilization containment.

    PubMed

    Steiner, J W; Root, J M; White, D C

    1991-01-01

    The authors analyzed laboratory costs and utilization in 3,771 cases of Medicare inpatients admitted to a New England academic medical center ("the Hospital") from October 1, 1989 to September 30, 1990. The data were derived from the Hospital's Decision Resource System comprehensive data base. The authors established a historical reference point for laboratory costs as a percentage of total inpatient costs using 1981-82 Medicare claims data and cost report information. Inpatient laboratory costs were estimated at 9.5% of total inpatient costs for pre-Diagnostic Related Groups (DRGs) Medicare discharges. Using this reference point and adjusting for the Hospital's 1990 case mix, the "expected" laboratory cost was 9.3% of total cost. In fact, the cost averaged 11.5% (i.e., 24% above the expected cost level), and costs represented an even greater percentage of DRG reimbursement at 12.9%. If we regard the reimbursement as a total cost target (to eliminate losses from Medicare), then that 12.9% is 39% above the "expected" laboratory proportion of 9.3%. The Hospital lost an average of $1,091 on each DRG inpatient. The laboratory contributed 29% to this loss per case. Compared to other large hospitals, the Hospital was slightly (3%) above the mean direct cost per on-site test and significantly (58%) above the mean number of inpatient tests per inpatient day compared to large teaching hospitals. The findings suggest that careful laboratory cost analyses will become increasingly important as the proportion of patients reimbursed in a fixed manner grows. The future may hold a prospective zero-based laboratory budgeting process based on predictable patterns of DRG admissions or other fixed-reimbursement admission and laboratory utilization patterns. PMID:10113716