Sample records for b-ring substitution pattern

  1. Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators.

    PubMed

    Bohl, Casey E; Wu, Zengru; Chen, Jiyun; Mohler, Michael L; Yang, Jun; Hwang, Dong Jin; Mustafa, Suni; Miller, Duane D; Bell, Charles E; Dalton, James T

    2008-10-15

    Selective androgen receptor modulators (SARMs) are essentially prostate sparing androgens, which provide therapeutic potential in osteoporosis, male hormone replacement, and muscle wasting. Herein we report crystal structures of the androgen receptor (AR) ligand-binding domain (LBD) complexed to a series of potent synthetic nonsteroidal SARMs with a substituted pendant arene referred to as the B-ring. We found that hydrophilic B-ring para-substituted analogs exhibit an additional region of hydrogen bonding not seen with steroidal compounds and that multiple halogen substitutions affect the B-ring conformation and aromatic interactions with Trp741. This information elucidates interactions important for high AR binding affinity and provides new insight for structure-based drug design.

  2. Quinoxaline-substituted chalcones as new inhibitors of breast cancer resistance protein ABCG2: polyspecificity at B-ring position

    PubMed Central

    Winter, Evelyn; Gozzi, Gustavo Jabor; Chiaradia-Delatorre, Louise Domeneghini; Daflon-Yunes, Nathalia; Terreux, Raphael; Gauthier, Charlotte; Mascarello, Alessandra; Leal, Paulo César; Cadena, Silvia M; Yunes, Rosendo Augusto; Nunes, Ricardo José; Creczynski-Pasa, Tania Beatriz; Di Pietro, Attilio

    2014-01-01

    A series of chalcones substituted by a quinoxaline unit at the B-ring were synthesized and tested as inhibitors of breast cancer resistance protein-mediated mitoxantrone efflux. These compounds appeared more efficient than analogs containing other B-ring substituents such as 2-naphthyl or 3,4-methylenedioxyphenyl while an intermediate inhibitory activity was obtained with a 1-naphthyl group. In all cases, two or three methoxy groups had to be present on the phenyl A-ring to produce a maximal inhibition. Molecular modeling indicated both electrostatic and steric positive contributions. A higher potency was observed when the 2-naphthyl or 3,4-methylenedioxyphenyl group was shifted to the A-ring and methoxy substituents were shifted to the phenyl B-ring, indicating preferences among polyspecificity of inhibition. PMID:24920885

  3. Straightforward Entry toward Highly Substituted 2,3-Dihydrobenz[ b]oxepines by Ring Expansion of Benzopyryliums with Donor-Acceptor Diazo Compounds.

    PubMed

    Courant, Thibaut; Pasco, Morgane; Lecourt, Thomas

    2018-05-04

    Ylide-type reactivity of diazo compounds is exploited in a new way to prepare benzo[ b]oxepines thanks to the formation of three chemical bonds and two contiguous and highly substituted stereocenters in a single pot. This cationic reaction cascade first involves addition of a donor-acceptor-substituted diazo compound to a benzopyrylium. Selective 1,2 migration of the endocyclic C-C bond then results in a ring-expansion and generates a second oxocarbenium that is trapped by a nucleophile added sequentially.

  4. Differentiation of ring-substituted regioisomers of amphetamine and methamphetamine by supercritical fluid chromatography.

    PubMed

    Segawa, Hiroki; T Iwata, Yuko; Yamamuro, Tadashi; Kuwayama, Kenji; Tsujikawa, Kenji; Kanamori, Tatsuyuki; Inoue, Hiroyuki

    2017-03-01

    Chromatographic differentiation of the ring-substituted regioisomers of amphetamine (AMP) and methamphetamine (MA) was performed by supercritical fluid chromatography (SFC). The behaviour of the retention against the changes of column temperature and co-solvent proportion was studied. The obtained information facilitated the optimization of the each regioisomer. As a result, 2-, 3-, and 4-ring-substituted analogues of AMP and MA with methyl, methoxy, fluoro, chloro, and bromo groups were separated, generally within 6 min. In addition, we found that the separation pattern of the examined regioisomers was classified into two, which depended on the electron donating/withdrawing effect of the substituent. Our results indicate that SFC could be used in forensic drug analysis for fast, reliable identification of structurally similar drugs of abuse. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  5. Ring[bond]chain tautomerism of 2-Aryl-substituted cis- and trans-decahydroquinazolines.

    PubMed

    Lázár, László; Göblyös, Anikó; Martinek, Tamás A; Fülöp, Ferenc

    2002-07-12

    In CDCl(3) at 300 K, 2-aryl-substituted cis- and trans-3-isopropyldecahydroquinazolines and trans-3-phenyldecahydroquinazolines proved to be three-component (r(1)[bond]o[bond]r(2)) ring[bond]chain tautomeric mixtures, whereas only ring-closed tautomers could be detected for the 3-methyl-substituted analogues. The proportions of the ring-chain tautomeric forms at equilibrium were strongly influenced by the N-substitutents and the cis-trans ring junction and could be described by the equation log K(X) = rho sigma(+) + log K(X=H). These are the first examples among 2-aryl-1,3-N,N-heterocycles of a three-component ring-chain tautomeric equilibrium characterized by a Hammett-type equation. The stabilities of the ring-closed forms of cis- and trans-2-aryldecahydroquinazolines and the corresponding 3,1-benzoxazines were found to increase in the following sequence of the heteroatom at position 3: NPh < N-i-Pr < O < NMe.

  6. Probing the role of the vancomycin e-ring aryl chloride: selective divergent synthesis and evaluation of alternatively substituted E-ring analogues.

    PubMed

    Pinchman, Joseph R; Boger, Dale L

    2013-05-23

    The selective functionalization of vancomycin aglycon derivatives through conversion of the E-ring aryl chloride to a reactive boronic acid and its use in the synthesis of a systematic series of vancomycin E-ring analogues are described. The series was used to examine the E-ring chloride impact in binding d-Ala-d-Ala and on antimicrobial activity. In contrast to the reduced activity of the unsubstituted E-ring derivatives, hydrophobic and relatively nonpolar substituents approach or match the chloro-substituted vancomycin and were insensitive to the electronic character of the substituent (e.g., Cl vs CN/OMe), whereas highly polar substituents fail to provide the enhancements. Moreover, the active permethylated vancomycin aglycon derivatives exhibit VanB VRE antimicrobial activity at levels that approach (typically within 2-fold) their activity against sensitive bacteria. The robust borylation reaction also enabled the functionalization of a minimally protected vancomycin aglycon (N-Boc-vancomycin aglycon) and provides a direct method for the preparation of previously inaccessible analogues.

  7. Possible reason for the unusual regioselectivity in nucleophilic ring opening of trisubstituted aziridines under mildly basic conditions.

    PubMed

    Kelley, Brandon T; Carroll, Patrick; Joullié, Madeleine M

    2014-06-06

    2,2,3-Trisubstituted aziridines are known to undergo ring opening at the more substituted carbon under mildly basic conditions. However, the reason for the formation of the more sterically encumbered product has never been examined. Several trisubstituted aziridines, with different substitution patterns at the C-2 and C-3 carbons, were synthesized to change the electronics of the aziridine ring system. These changes had no effect on the regioselectivity of the ring-opening reaction. Using the B3LYP/6-31G* DFT basis set it was determined that the transition state for opening at the more substituted carbon proceeds at a lower energy than the transition state at the less substituted carbon.

  8. Selectivity in the Addition Reactions of Organometallic Reagents to Aziridine-2-carboxaldehydes: The Effects of Protecting Groups and Substitution Patterns

    PubMed Central

    Kulshrestha, Aman; Schomaker, Jennifer M.; Holmes, Daniel; Staples, Richard J.; Jackson, James E.; Borhan, Babak

    2014-01-01

    Good to excellent stereo-selectivity has been found in the addition reactions of Grignard and organo-zinc reagents to N-protected aziridine-2-carboxaldehydes. Specifically, high syn selectivity was obtained with benzyl-protected cis, tert-butyloxycar-bonyl-protected trans, and tosyl-pro-tected 2,3-disubstituted aziridine-2-car-boxaldehydes. Furthermore, rate and selectivity effects of ring substituents, temperature, solvent, and Lewis acid and base modifiers were studied. The diastereomeric preference of addition is dominated by the substrate aziri-dines’ substitution pattern and especially the electronic character and conformational preferences of the nitrogen protecting groups. To help rationalize the observed stereochemical outcomes, conformational and electronic structural analyses of a series of model systems representing the various substitution patterns have been explored by density functional calculations at the B3LYP/6–31G* level of theory with the SM8 solvation model to account for solvent effects. PMID:21928447

  9. Substitution pattern elucidation of hydroxypropyl Pinus pinaster (Ait.) bark polyflavonoid derivatives by ESI(-)-MS/MS.

    PubMed

    García Marrero, Danny E; Glasser, Wolfgang G; Pizzi, Antonio; Paczkowski, Sebastian; Laborie, Marie-Pierre G

    2014-10-01

    The structure of condensed tannins (CTs) from Pinus pinaster bark extract and their hydroxypropylated derivatives with four degrees of substitution (DS 1, 2, 3 and 4) has been characterized for the first time using negative-ion mode electrospray ionization tandem mass spectrometry (ESI(-)-MS/MS). The results showed that P. pinaster bark CTs possess structural homogeneity in terms of monomeric units (C(15), catechin). The oligomer sizes were detected to be dimers to heptamers. The derivatives showed typical phenyl-propyl ether mass fragmentation by substituent elimination (58 amu) and inherent C(15) flavonoid fissions. The relative abundance of the product ions revealed a preferential triple, tetra-/penta- and octa- hydroxypropylation substitution pattern in the monomer, dimer and trimer derivatives, respectively. A defined order of -OH reactivity towards propylene oxide was established by means of multistage experiments (A-ring ≥ B-ring > C-ring). A high structural heterogeneity of the modified oligomers was detected. Copyright © 2014 John Wiley & Sons, Ltd.

  10. Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles.

    PubMed

    Das, Debjit; Pratihar, Sanjay; Roy, Sujit

    2012-09-21

    Indeno[2,1-b]thiophene and indeno[1,2-b]indole motifs have been obtained in moderate to good yields from easily available substituted boronic acids, 2-bromo aryl/vinyl aldehydes, and nucleophiles such as arenes/heteroarenes and others using a catalytic combination of bimetallic "Pd-Sn" and AgPF(6). This formal three-component coupling involves a Suzuki reaction followed by nucleophile assisted tandem ring closure. The sequential synthesis of substituted heterocycle-fused indenes, benzofluorene, and fluorenes was also accomplished.

  11. Lymphomas involving Waldeyer's ring: placement, paradigms, peculiarities, pitfalls, patterns and postulates.

    PubMed

    Tan, L H

    2004-07-01

    This review revisits Waldeyer's ring lymphomas as classified by the World Health Organisation. Sources of data include international studies on Waldeyer's ring lymphomas as well as from personal observations gleaned from lymphoma statistics of Singapore General Hospital, Changi General Hospital, Tan Tock Seng Hospital and National University Hospital within the last decade or so. Waldeyer's ring shares many of the histopathological trends of the rest of mucosa-associated lymphoid tissue (MALT), such as the high frequency of diffuse large B-cell lymphomas, and the relative rarity of follicular lymphomas in spite of its rich endowment with reactive lymphoid follicles. However, extranodal marginal zone lymphoma or "MALToma" may not be as frequently encountered as in other mucosal sites. Furthermore, the placement of Waldeyer's ring is unique in that stark comparisons with the lymphopathology of the immediately anterior oronasal cavities can be made, with intriguing peculiarities such as the abrupt reversal of the ratio of B-cell to T/NK-cell lymphoma frequency upon crossing the imaginary line that separates the 2 regions. The differential diagnosis with regionally common lymphoma mimics, in particular reactive parafollicular hyperplasia and nasopharyngeal undifferentiated (lymphoepithelial) carcinoma of Schmincke pattern, both often aetiologically related to Epstein-Barr viral infection, is also discussed. Recognition of the peculiarities and patterns of Waldeyer's ring lymphomas is important for accurate pathologic assessment. Postulates that attempt to account for the patterns and peculiarities of Waldeyer's ring lymphopathology can be used to direct further research.

  12. Binding of ring-substituted indole-3-acetic acids to human serum albumin.

    PubMed

    Soskić, Milan; Magnus, Volker

    2007-07-01

    The plant hormone, indole-3-acetic acid (IAA), and its ring-substituted derivatives have recently attracted attention as promising pro-drugs in cancer therapy. Here we present relative binding constants to human serum albumin for IAA and 34 of its derivatives, as obtained using the immobilized protein bound to a support suitable for high-performance liquid chromatography. We also report their octanol-water partition coefficients (logK(ow)) computed from retention data on a C(18) coated silica gel column. A four-parameter QSPR (quantitative structure-property relationships) model, based on physico-chemical properties, is put forward, which accounts for more than 96% of the variations in the binding affinities of these compounds. The model confirms the importance of lipophilicity as a global parameter governing interaction with serum albumin, but also assigns significant roles to parameters specifically related to the molecular topology of ring-substituted IAAs. Bulky substituents at ring-position 6 increase affinity, those at position 2 obstruct binding, while no steric effects were noted at other ring-positions. Electron-withdrawing substituents at position 5 enhance binding, but have no obvious effect at other ring positions.

  13. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Navarro, Amparo, E-mail: anavarro@ujaen.es; Fernández-Liencres, M. Paz; Peña-Ruiz, Tomás

    2016-08-07

    Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ∼0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier comparedmore » to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ∼0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials.« less

  14. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach.

    PubMed

    Navarro, Amparo; Fernández-Liencres, M Paz; Peña-Ruiz, Tomás; García, Gregorio; Granadino-Roldán, José M; Fernández-Gómez, Manuel

    2016-08-07

    Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ∼0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier compared to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ∼0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials.

  15. The puzzling structure in Saturn's outer B ring

    NASA Astrophysics Data System (ADS)

    Nicholson, Philip D.; Hedman, Matt; Buckingham, Rikley

    2017-06-01

    As first noted in Voyager images, the outer edge of Saturn's B ring is strongly perturbed by the 2:1 inner Lindblad resonance with Mimas (Porco \\etal\\ 1984). Cassini imaging and occultation data have revealed a more complex situation, where the expected resonantly-forced m=2 perturbation with an amplitude of 33~km is accompanied by freemodes with m=1, 2, 3, 4 and 5 (Spitale & Porco 2010, Nicholson \\etal\\ 2014a). To date, however, the structure immediately interior to the ring edge has not been examined carefully. We have compared optical depth profiles of the outer 1000~km of the B ring, using a large set of stellar occultations carried out since 2005 by the Cassini VIMS instrument. A search for wavelike structure, using a code written to search for hidden density waves (Hedman \\& Nicholson 2016), reveals a significant signature at a radius of ~117,150 km with a radial wavelength of ~110 km. This appears to be a trailing spiral with m=1 and a pattern speed equal to the local apsidal precession rate, $\\dpi\\simeq5.12\\dd$. Further searches for organized large-scale structure have revealed none with m=2 (as might have been expected), but several additional regions with significant m=1 variations and pattern speeds close to the local value of $\\dpi$. At present, it is unclear if these represent propagating spirals, standing waves, or perhaps features more akin to the eccentric ringlets often seen within gaps in the C ring and Cassini Division (Nicholson \\etal\\ 2014b, French \\etal\\ 2016). Comparisons of sets of profiles from 2008/9, 2012-14 and 2016 seem to show that these structures are changing over time.

  16. C-shaped diastereomers containing cofacial thiophene-substituted quinoxaline rings: synthesis, photophysical properties, and X-ray crystallography.

    PubMed

    DeBlase, Catherine R; Finke, Ryan T; Porras, Jonathan A; Tanski, Joseph M; Nadeau, Jocelyn M

    2014-05-16

    Synthesis and characterization of two diastereomeric C-shaped molecules containing cofacial thiophene-substituted quinoxaline rings are described. A previously known bis-α-diketone was condensed with an excess of 4-bromo-1,2-diaminobenzene in the presence of zinc acetate to give a mixture of two C-shaped diastereomers with cofacial bromine-substituted quinoxaline rings. After chromatographic separation, thiophene rings were installed by a microwave-assisted Suzuki coupling reaction, resulting in highly emissive diastereomeric compounds that were studied by UV-vis, fluorescence, and NMR spectroscopy, as well as X-ray crystallography. The unique symmetry of each diastereomer was confirmed by NMR spectroscopy. NMR data indicated that the syn isomer has restricted rotation about the bond connecting the thiophene and quinoxaline rings, which was also observed in the solid state. The spectroscopic properties of the C-shaped diastereomers were compared to a model compound containing only a single thiophene-substituted quinoxaline ring. Ground state intramolecular π-π interactions in solution were detected by NMR and UV-vis spectroscopy. Red-shifted emission bands, band broadening, and large Stokes shifts were observed, which collectively suggest excited state π-π interactions that produce excimer-like emissions, as well as a remarkable positive emission solvatochromism, indicating charge-transfer character in the excited state.

  17. Substitution on the A-Ring Confers to Bryopyran Analogues the Unique Biological Activity Characteristic of Bryostatins and Distinct From That of the Phorbol Esters

    PubMed Central

    Keck, Gary E.; Poudel, Yam B.; Welch, Dennie S.; Kraft, Matthew B.; Truong, Anh P.; Stephens, Jeffrey C.; Kedei, Noemi; Lewin, Nancy E.; Blumberg, Peter M.

    2009-01-01

    A close structural analogue of bryostatin 1, which differs from bryostatin 1 only by the absence of the C30 carbomethoxy group (on the C13 enoate of the B-ring), has been prepared by total synthesis. Biological assays reveal a crucial role for substitution in the bryostatin 1 A-ring in conferring those responses which are characteristic of bryostatin 1 and distinct from those observed with PMA. PMID:19113896

  18. Noncircular features in Saturn's rings I: The edge of the B ring

    NASA Astrophysics Data System (ADS)

    Nicholson, Philip D.; French, Richard G.; Hedman, Matthew M.; Marouf, Essam A.; Colwell, Joshua E.

    2014-01-01

    A comprehensive investigation of all available radio and stellar occultation data for the outer edge of Saturn's B ring, spanning the period 1980-2010, confirms that the m = 2 distortion due to the strong Mimas 2:1 inner Lindblad resonance circulates slowly relative to Mimas in a prograde direction, with a frequency ΩL = 0.1819° d-1. Our best-fitting model implies that the radial amplitude of this distortion ranges from a minimum of 3 km to a maximum of 71 km, with short-lived minima recurring every 5.42 yrs. In addition to the dominant m = 2 pattern, the edge of the B ring also exhibits at least four other perturbations. An m = 1 component with a radial amplitude of ˜20 km rotates at a rate very close to the expected local apsidal precession rate of ϖ˜5.059° d-1, while smaller perturbations are seen with m = 3 (amplitude 12.5 km), m = 4 (5.9 km), and m = 5 (5.6 km), each of which has a pattern speed consistent with that expected for a spontaneously-generated "normal mode" (French, R.G. et al. [1988]. Icarus 73, 349-378). Our results for m = 1, m = 2 and m = 3 are compatible with those obtained by Spitale and Porco (Spitale, J.N., Porco, C.C. [2010]. Astron. J. 140, 1747-1757), which were based on Cassini imaging data. The pattern speed of each normal mode slightly exceeds that expected at the mean edge radius, supporting their conclusion that they may represent a series of free modes, each of which is trapped in a narrow region between the mode's resonant radius and the ring's edge. However, both our model and that of Spitale and Porco fail to provide complete descriptions of this surprisingly complex feature, with post-fit root-mean-square residuals of ˜8 km considerably exceeding typical measurement errors of 1 km or less.

  19. Pharmacological examination of trifluoromethyl ring-substituted methcathinone analogs.

    PubMed

    Cozzi, Nicholas V; Brandt, Simon D; Daley, Paul F; Partilla, John S; Rothman, Richard B; Tulzer, Andreas; Sitte, Harald H; Baumann, Michael H

    2013-01-15

    Cathinones are a class of drugs used to treat various medical conditions including depression, obesity, substance abuse, and muscle spasms. Some "designer" cathinones, such as methcathinone, mephedrone, and methylone, are used nonclinically for their stimulant or entactogenic properties. Given the recent rise in nonmedical use of designer cathinones, we aimed to improve understanding of cathinone pharmacology by investigating analogs of methcathinone with a CF(3) substituent at the 2-, 3-, or 4-position of the phenyl ring (TFMAPs). We compared the TFMAPs with methcathinone for effects on monoamine uptake transporter function in vitro and in vivo, and for effects on locomotor activity in rats. At the serotonin transporter (SERT), 3-TFMAP and 4-TFMAP were 10-fold more potent than methcathinone as uptake inhibitors and as releasing agents, but 2-TFMAP was both a weak uptake inhibitor and releaser. At the norepinephrine and dopamine transporters (NET and DAT), all TFMAP isomers were less potent than methcathinone as uptake inhibitors and releasers. In vivo, 4-TFMAP released 5-HT, but not dopamine, in rat nucleus accumbens and did not affect locomotor activity, whereas methcathinone increased both 5-HT and dopamine and produced locomotor stimulation. These experiments reveal that TFMAPs are substrates for the monoamine transporters and that phenyl ring substitution at the 3- or 4-position increases potency at SERT but decreases potency at NET and DAT, resulting in selectivity for SERT. The TFMAPs might have a therapeutic value for a variety of medical and psychiatric conditions and may have lower abuse liability compared to methcathinone due to their decreased DAT activity. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Oscillations at B Ring Edge

    NASA Image and Video Library

    2010-11-01

    This image obtained by NASA Cassini spacecraft of the outer edge of Saturn?s B ring, reveals the combined effects of a tugging moon and oscillations that can naturally occur in disks like Saturn rings and spiral galaxies.

  1. Gas inflow patterns and nuclear rings in barred galaxies

    NASA Astrophysics Data System (ADS)

    Shen, Juntai; Li, Zhi

    2017-06-01

    Nuclear rings, dust lanes, and nuclear spirals are common structures in the inner region of barred galaxies, with their shapes and properties linked to the physical parameters of the galaxies. We use high-resolution hydrodynamical simulations to study gas inflow patterns in barred galaxies, with special attention on the nuclear rings. The location and thickness of nuclear ringsare tightly correlated with galactic properties, such as the bar pattern speed and bulge central density, within certain ranges. We identify the backbone of nuclear rings with a major orbital family of bars. The rings form exactly at the radius where the residual angular momentum of inflowing gas balances the centrifugal force. We propose a new simple method to predict the bar pattern speed for barred galaxies possessing a nuclear ring, without actually doing simulations. We apply this method to some real galaxies and find that our predicted bar pattern speed compare reasonably well with other estimates. Our study may have important implications for using nuclear ringsto measure the parameters of real barred galaxies with detailed gas kinematics. We have also extended current hydrodynamical simulations to model gas features in the Milky Way.

  2. Persistent pattern speeds in Saturn's D ring

    NASA Astrophysics Data System (ADS)

    Chancia, Robert; Hedman, Matthew M.

    2016-05-01

    Saturn's D ring is the innermost part of Saturn's ring system. Due to its close proximity to the planet, it is sensitive to perturbing forces caused by asymmetries in Saturn's interior and magnetic field. Using high-phase-angle images obtained by the Imaging Science Subsystem (ISS) over the course of the entire Cassini mission we investigate the region between 71000-73000 km from Saturn's center. Previous studies have shown that this region contains azimuthal brightness variations generated by periodic perturbing forces with frequencies close to Saturn's rotation rate (nearly twice the local orbital period). These structures are not due to a single resonance, but instead involve a complex network of patterns drifting past one another over time. Some of these could be caused by asymmetries in Saturn's magnetosphere, which have rotation rates that have been observed to change over the course of the Cassini mission. However, some patterns may be generated by perturbations from long-lived gravitational anomalies inside the planet that move at speeds comparable to Saturn's winds. By comparing observations taken over several years we can distinguish the patterns caused by each phenomenon. We identify multiple structures with nearly constant pattern speeds that would appear to be due to persistent structures inside the planet. Strangely, the rotation rates required to produce these D ring structures are different from those responsible for generating waves in the C ring (where the local orbital rate is roughly 3/2 Saturn's rotation rate).

  3. Influence of Bridgehead Substitution and Ring Annelation on the Photophysical Properties of Polycyclic DBO-Type Azoalkanes.

    PubMed

    Adam, Waldemar; Nikolaus, Achim; Sauer, Jürgen

    1999-05-14

    The photophysical data for the polycyclic, bridgehead-substituted derivatives 1-10 of the photoreluctant diazabicyclo[2.2.2]oct-2-ene (DBO) are presented. Substitution on the bridgehead positions with radical-stabilizing substituents enhances the photoreactivity (Phi(r)) and decreases the fluorescence quantum yields (Phi(f)) and lifetimes (tau) compared to the parent DBO. The annelated rings have no influence on the photoreactivity, except when steric interactions with an alpha substituent hinder the optimal radical-stabilizing conformation. The fused rings and some of the bridgehead substituents reduce the solvent-induced quenching of the singlet-excited azo chromophore by steric shielding of the azo group and, thus, increase the fluorescence quantum yields and lifetimes.

  4. Spiral and Rotor Patterns Produced by Fairy Ring Fungi

    NASA Astrophysics Data System (ADS)

    Karst, N.; Dralle, D.; Thompson, S. E.

    2014-12-01

    Soil fungi fill many essential ecological and biogeochemical roles, e.g. decomposing litter, redistributing nutrients, and promoting biodiversity. Fairy ring fungi offer a rare glimpse into the otherwise opaque spatiotemporal dynamics of soil fungal growth, because subsurface mycelial patterns can be inferred from observations at the soil's surface. These observations can be made directly when the fungi send up fruiting bodies (e.g., mushrooms and toadstools), or indirectly via the effect the fungi have on neighboring organisms. Grasses in particular often temporarily thrive on the nutrients liberated by the fungus, creating bands of rich, dark green turf at the edge of the fungal mat. To date, only annular (the "ring" in fairy ring) and arc patterns have been described in the literature. We report observations of novel spiral and rotor pattern formation in fairy ring fungi, as seen in publically available high-resolution aerial imagery of 22 sites across the continental United States. To explain these new behaviors, we first demonstrate that a well-known model describing fairy ring formation is equivalent to the Gray-Scott reaction-diffusion model, which is known to support a wide range of dynamical behaviors, including annular traveling waves, rotors, spirals, and stable spatial patterns including spots and stripes. Bifurcation analysis and numerical simulation are then used to define the region of parameter space that supports spiral and rotor formation. We find that this region is adjacent to one within which typical fairy rings develop. Model results suggest simple experimental procedures that could potentially induce traditional ring structures to exhibit rotor or spiral dynamics. Intriguingly, the Gray-Scott model predicts that these same procedures could be used to solicit even richer patterns, including spots and stripes, which have not yet been identified in the field.

  5. Spiral and Rotor Patterns Produced by Fairy Ring Fungi

    NASA Astrophysics Data System (ADS)

    Karst, N.; Dralle, D.; Thompson, S. E.

    2015-12-01

    Soil fungi fill many essential ecological and biogeochemical roles, e.g. decomposing litter, redistributing nutrients, and promoting biodiversity. Fairy ring fungi offer a rare glimpse into the otherwise opaque spatiotemporal dynamics of soil fungal growth, because subsurface mycelial patterns can be inferred from observations at the soil's surface. These observations can be made directly when the fungi send up fruiting bodies (e.g., mushrooms and toadstools), or indirectly via the effect the fungi have on neighboring organisms. Grasses in particular often temporarily thrive on the nutrients liberated by the fungus, creating bands of rich, dark green turf at the edge of the fungal mat. To date, only annular (the "ring" in fairy ring) and arc patterns have been described in the literature. We report observations of novel spiral and rotor pattern formation in fairy ring fungi, as seen in publically available high-resolution aerial imagery of 22 sites across the continental United States. To explain these new behaviors, we first demonstrate that a well-known model describing fairy ring formation is equivalent to the Gray-Scott reaction-diffusion model, which is known to support a wide range of dynamical behaviors, including annular traveling waves, rotors, spirals, and stable spatial patterns including spots and stripes. Bifurcation analysis and numerical simulation are then used to define the region of parameter space that supports spiral and rotor formation. We find that this region is adjacent to one within which typical fairy rings develop. Model results suggest simple experimental procedures that could potentially induce traditional ring structures to exhibit rotor or spiral dynamics. Intriguingly, the Gray-Scott model predicts that these same procedures could be used to solicit even richer patterns, including spots and stripes, which have not yet been identified in the field.

  6. Synthesis and biological evaluation of novel N-phenyl ureidobenzenesulfonate derivatives as potential anticancer agents. Part 2. Modulation of the ring B.

    PubMed

    Gagné-Boulet, Mathieu; Moussa, Hanane; Lacroix, Jacques; Côté, Marie-France; Masson, Jean-Yves; Fortin, Sébastien

    2015-10-20

    DNA double strand-breaks (DSBs) are the most deleterious lesions that can affect the genome of living beings and are lethal if not quickly and properly repaired. Recently, we discovered a new family of anticancer agents designated as N-phenyl ureidobenzenesulfonates (PUB-SOs) that are blocking the cells cycle progression in S-phase and inducing DNA DSBs. Previously, we have studied the effect of several modifications on the molecular scaffold of PUB-SOs on their cytocidal properties. However, the effect of the nature and the position of substituents on the aromatic ring B is still poorly studied. In this study, we report the preparation and the biological evaluation of 45 new PUB-SO derivatives substituted by alkyl, alkoxy, halogen and nitro groups at different positions on the aromatic ring B. All PUB-SOs were active in the submicromolar to low micromolar range (0.24-20 μM). The cell cycle progression analysis showed that PUB-SOs substituted at position 2 by alkyl, halogen or nitro groups or substituted at position 4 by a hydroxyl group arrest the cell cycle progression in S-phase. Interestingly, all others PUB-SOs substituted at positions 3 and 4 arrested the cell cycle in G2/M-phase. PUB-SOs arresting the cell cycle progression in S-phase also induced the phosphorylation of H2AX (γH2AX) which is indicating the generation of DNA DSBs. We evidenced that few modifications on the ring B of PUB-SOs scaffold lead to cytocidal derivatives arresting the cell cycle in S-phase and inducing γH2AX and DSBs. In addition, this study shows that these new anticancer agents are promising and could be used as alternative to circumvent some of the biopharmaceutical complications that might be encountered during the development of PUB-SOs. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  7. Stacking interactions between nitrogen-containing six-membered heterocyclic aromatic rings and substituted benzene: studies in solution and in the solid state.

    PubMed

    Gung, Benjamin W; Wekesa, Francis; Barnes, Charles L

    2008-03-07

    The stacking interactions between an aromatic ring and a pyridine or a pyrimidine ring are studied by using a series of triptycene-derived scaffolds. The indicative ratios of the syn and anti conformers were determined by variable-temperature NMR spectroscopy. The syn conformer aligns the attached aromatic ring and the heterocycle in a parallel-displaced orientation while the anti conformer sets the two rings apart from each other. Comparing to the corresponding control compounds where a benzene ring is in the position of the heterocycle, higher attractive interactions are observed as indicated by the higher syn/anti ratios. In general, the attractive interactions are much less sensitive to the substituent effects than the corresponding nonheterocycles. The greatest attractive interactions were observed between a pyrimidine ring and a N,N-dimethylaminobenzene, consistent with a predominant donor-acceptor interaction. The interactions between a pyridine ring and a substituted benzene ring show that the pyridine is comparable to that of a NO2- or a CN-substituted benzene ring except for the unpredictable substituent effects.

  8. Galactic Behavior for the Outer B Ring

    NASA Image and Video Library

    2010-11-01

    Keeping a close watch on the outer portion of Saturn B ring, NASA Cassini spacecraft records the complex inward and outward movement of the edge of the ring. This ring movement resembles the suspected behavior of spiral disk galaxies.

  9. New Pioglitazone Metabolites and Absence of Opened-Ring Metabolites in New N-Substituted Thiazolidinedione.

    PubMed

    Campos, Michel Leandro; Cerqueira, Letícia Bonancio; Silva, Bruna Cristina Ulian; Franchin, Taísa Busaranho; Galdino-Pitta, Marina Rocha; Pitta, Ivan Rocha; Peccinini, Rosângela Gonçalves; Pontarolo, Roberto

    2018-06-01

    Thiazolidinediones (TZDs) are drugs used to treat type 2 diabetes mellitus; however, several safety concerns remain regarding the available drugs in this class. Therefore, the search for new TZD candidates is ongoing; metabolism studies play a crucial step in the development of new candidates. Pioglitazone, one of the most commonly used TZDs, and GQ-11, a new N -substituted TZD, were investigated in terms of their metabolic activity in rat and human liver microsomes to assess their metabolic stability and investigate their metabolites. Methods for preparation of samples were based on liquid-liquid extraction and protein precipitation. Quantitation was performed using liquid chromatography (LC)-tandem mass spectrometry, and the metabolite investigation was performed using ultraperformance LC coupled to a hybrid quadrupole-time of flight mass spectrometer. The predicted intrinsic clearance of GQ-11 was 70.3 and 46.1 ml/kg per minute for rats and humans, respectively. The predicted intrinsic clearance of pioglitazone was 24.1 and 15.9 ml/kg per minute for rats and humans, respectively. The pioglitazone metabolite investigation revealed two unpublished metabolites (M-D and M-A). M-A is a hydration product and may be related to the mechanism of ring opening and the toxicity of pioglitazone. The metabolites of GQ-11 are products of oxidation; no ring-opening metabolite was observed for GQ-11. In conclusion, under the same experimental conditions, a ring-opening metabolite was observed only for pioglitazone. The resistance of GQ-11 to the ring opening is probably related to N -substitution in the TZD ring. Copyright © 2018 by The American Society for Pharmacology and Experimental Therapeutics.

  10. Construction of substituted benzene rings by palladium-catalyzed direct cross-coupling of olefins: a rapid synthetic route to 1,4-naphthoquinone and its derivatives.

    PubMed

    Hu, Peng; Huang, Shijun; Xu, Jing; Shi, Zhang-Jie; Su, Weiping

    2011-10-10

    Ring the changes: the direct cross-coupling of electron-deficient 1,4-benzoquinone or its derivatives with electron-rich alkyl vinyl ethers proceeds in a tandem manner to produce substituted benzene rings with good selectivity and in good to excellent yields. The reaction has the potential for the rapid synthesis of diverse substituted benzene rings as it is not limited by substituent effects. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Diastereoselective intramolecular Ritter reaction: generation of a cis-fused hexahydro-4aH-indeno[1,2-b]pyridine ring system with 4a,9b-diangular substituents.

    PubMed

    Van Emelen, K; De Wit, T; Hoornaert, G J; Compernolle, F

    2000-10-05

    Indanol intermediates 5, prepared via Michael addition of 1-indanone beta-ketoester and acrylonitrile followed by reduction or Grignard reaction of the ketone group, were submitted to intramolecular Ritter reaction using various acid reaction conditions to produce tricyclic lactams 4. This cis-fused hexahydro-4aH-indeno[1,2-b]pyridine ring system, substituted at both angular positions 4a and 9b, provides access to constrained analogues of non-peptide NK(1)-antagonists with monocyclic piperidine structure.

  12. A new pattern in Saturn's D ring created in late 2011

    NASA Astrophysics Data System (ADS)

    Hedman, M. M.; Showalter, M. R.

    2016-11-01

    Images obtained by the Cassini spacecraft between 2012 and 2015 reveal a periodic brightness variation in a region of Saturn's D ring that previously appeared to be rather featureless. Furthermore, the intensity and radial wavenumber of this pattern have decreased steadily with time since it was first observed. Based on analogies with similar structures elsewhere in the D ring, we propose that this structure was created by some event that disturbed the orbital motions of the ring particles, giving them finite orbital eccentricities and initially aligned pericenters. Differential orbital precession then transformed this structure into a spiral pattern in the ring's optical depth that became increasingly tightly wound over time. The observed trends in the pattern's radial wavenumber are roughly consistent with this basic model, and also indicate that the ring-disturbing event occurred in early December 2011. Similar events in 1979 may have generated the periodic patterns seen in this same region by the Voyager spacecraft. The 2011 event could have been caused by debris striking the rings, or by a disturbance in the planet's electromagnetic environment. The rapid reduction in the intensity of the brightness variations over the course of just a few years indicates that some process is either damping orbital eccentricities in this region or causing the orbital pericenters of particles with the same semi-major axis to become misaligned.

  13. Ring aggregation pattern of metro passenger trips: A study using smart card data

    NASA Astrophysics Data System (ADS)

    Wang, Ziyang; Hu, Yuxin; Zhu, Peng; Qin, Yong; Jia, Limin

    2018-02-01

    With the widespread implementation of smart cards and with more travel details being recorded, travel patterns can be studied more precisely and deeply. Although considerable attention has been paid to travel patterns, the relationship between travel patterns and the functional structure of a city is yet to be well understood. In this research, we study this relationship by analysing metro passenger trip data (in Beijing and Shenzhen in China and London in the United Kingdom), and we present two unprecedented findings. First, through averaging, a linear relationship is found to exist between individual travel distance and the distance between the origin and the city centre. The underlying mechanism is a travel pattern we call "ring aggregation", i.e., the daily movement of city passengers is aggregated into a ring (with approximately equal distances to the city centre). Then, for commuting trips, the daily travel pattern can be regarded as switching between the outer residential ring and the inner work ring. Second, this linear relationship and the ring aggregation pattern seem to be exclusive characteristics of metro systems (and may also fit other moderate- and long-distance transportation modes) but do not apply to short-distance transportation modes, such as bicycles and taxis. This finding implies that the ring aggregation pattern is a product of the relationship between travel patterns and the city functional structure at a large scope.

  14. Quantum mechanical design of efficient second-order nonlinear optical materials based on heteroaromatic imido-substituted hexamolybdates: first theoretical framework of POM-based heterocyclic aromatic rings.

    PubMed

    Janjua, Muhammad Ramzan Saeed Ashraf

    2012-11-05

    This work was inspired by a previous report (Janjua et al. J. Phys. Chem. A 2009, 113, 3576-3587) in which the nonlinear-optical (NLO) response strikingly improved with an increase in the conjugation path of the ligand and the nature of hexamolybdates (polyoxometalates, POMs) was changed into a donor by altering the direction of charge transfer with a second aromatic ring. Herein, the first theoretical framework of POM-based heteroaromatic rings is found to be another class of excellent NLO materials having double heteroaromatic rings. First hyperpolarizabilities of a large number of push-pull-substituted conjugated systems with heteroaromatic rings have been calculated. The β components were computed at the density functional theory (DFT) level (BP86 geometry optimizations and LB94 time-dependent DFT). The largest β values are obtained with a donor (hexamolybdates) on the benzene ring and an acceptor (-NO(2)) on pyrrole, thiophene, and furan rings. The pyrrole imido-substituted hexamolybdate (system 1c) has a considerably large first hyperpolarizability, 339.00 × 10(-30) esu, and it is larger than that of (arylimido)hexamolybdate, calculated as 0.302 × 10(-30) esu (reference system 1), because of the double aromatic rings in the heteroaromatic imido-substituted hexamolybdates. The heteroaromatic rings act as a conjugation bridge between the electron acceptor (-NO(2)) and donor (polyanion). The introduction of an electron donor into heteroaromatic rings significantly enhances the first hyperpolarizabilities because the electron-donating ability is substantially enhanced when the electron donor is attached to the heterocyclic aromatic rings. Interposing five-membered auxiliary fragments between strong donor (polyanion) or acceptor (-NO(2)) groups results in a large computed second-order NLO response. The present investigation provides important insight into the NLO properties of (heteroaromatic) imido-substituted hexamolybdate derivatives because these compounds

  15. Modifcation of the Prolyl Ring of Val-Pro and the Impact of this Modification on b2 Ion Structure

    NASA Astrophysics Data System (ADS)

    Bernier, Matthew C.; Wysocki, Vicki H.; Gucinski, Ashley; Chamot-Rooke, Julia

    2013-06-01

    Here we present b2 ion studies on one tripeptide (VPA) and show how the addition of a fluorine or a hydroxyl group on the 3rd position of the proline ring can affect the b2 ion formation. Action IRMPD results of ValHyp (Hyp=hydroxyproline), ValFlp (Flp=trans-fluoroproline), and Valflp (flp=cis-fluoroproline) all show the presence of a strong oxazolone band in the CO region at 1900 cm-1. The presence of peaks in the diketopiperazine region between 1700 and 1800 cm-1 varies depending on which substituent is placed on the prolyl ring. Recently published data from our group showed a pair of medium sized diketopiperazine bands at 1760 and 1701 cm-1 for ValPro and we observed similarly intense bands for Valflp at 1752 and 1689 cm-1. ValHyp and ValFlp fail to show any significant diketopiperazine bands, but if zoomed in x10 a small band can be observed at 1756 cm-1 for ValHyp. From this data it is apparent that substitution of the second position prolyl ring can alter the formation of the b2 diketopiperazine ion.

  16. Discovery of B ring propellers in Cassini UVIS and ISS

    NASA Astrophysics Data System (ADS)

    Sremcevic, M.; Stewart, G.; Albers, N.; Esposito, L. W.

    2011-12-01

    One of the successes of the planetary ring theory has been the theoretical prediction of gravitational signatures of bodies embedded in the rings, and their subsequent detection in Cassini data. Bodies within the rings perturb the nearby ring material, and the orbital shear forms a two-armed structure -- dubbed a ``propeller'' -- which is centered at the embedded body. Although direct evidence of the present body or moonlet is still lacking, the observations of their propeller signatures has proved as an indispensable method to extend our knowledge about ring structure and dynamics. So far, propellers have been successfully detected within Saturn's A ring in two populations: a group of small and numerous propellers interior to the Encke gap forming belts, and by far less numerous but larger propellers exterior to Pan's orbit. Although there have been hints of propellers present within the B ring, or even C ring, their detection is less certain (e.g. neither has a single propeller been seen twice, nor has the ubiquitous two armed structure been observed). In this paper we present evidence for the existence of propellers in Saturn's B ring by combining data from Cassini Ultraviolet Imaging Spectrograph (UVIS) and Imaging Science Subsystem (ISS) experiments. A single object is observed for 5 years of Cassini data. The object is seen as a very elongated bright stripe (40 degrees wide) in unlit Cassini images, and dark stripe in lit geometries. In total we report observing the feature in images at 18 different epochs between 2005 and 2010. In UVIS occultations we observe the feature as an optical depth depletion in 14 out of 93 occultation cuts at corrotating longitudes compatible with imaging data. Combining the available Cassini data we infer that the object is a partial gap located at a=112,921km embedded in the high optical depth region of the B ring. The gap moves at Kepler speed appropriate for its radial location. Radial offsets of the gap locations in UVIS

  17. Assembly of the MreB-associated cytoskeletal ring of Escherichia coli.

    PubMed

    Vats, Purva; Shih, Yu-Ling; Rothfield, Lawrence

    2009-04-01

    The Escherichia coli actin homologue MreB is part of a helical cytoskeletal structure that winds around the cell between the two poles. It has been shown that MreB redistributes during the cell cycle to form circumferential ring structures that flank the cytokinetic FtsZ ring and appear to be associated with division and segregation of the helical cytoskeleton. We show here that the MreB cytoskeletal ring also contains the MreC, MreD, Pbp2 and RodA proteins. Assembly of MreB, MreC, MreD and Pbp2 into the ring structure required the FtsZ ring but no other known components of the cell division machinery, whereas assembly of RodA into the cytoskeletal ring required one or more additional septasomal components. Strikingly, MreB, MreC, MreD and RodA were each able to independently assemble into the cytoskeletal ring and coiled cytoskeletal structures in the absence of any of the other ring components. This excludes the possibility that one or more of these proteins acts as a scaffold for incorporation of the other proteins into these structures. In contrast, incorporation of Pbp2 required the presence of MreC, which may provide a docking site for Pbp2 entry.

  18. Influence of mandatory generic substitution on pharmaceutical sales patterns: a national study over five years.

    PubMed

    Andersson, Karolina A; Petzold, Max G; Allebeck, Peter; Carlsten, Anders

    2008-02-29

    Mandatory generic substitution was introduced in Sweden in October 2002 in order to try to curb escalating pharmaceutical expenditure. The aim of this study was to investigate how sales patterns for substitutable and non-substitutable pharmaceuticals have developed since the introduction of mandatory generic substitution; furthermore, to compare sales patterns in different groups of the population, based on patients' age and gender. Five therapeutic groups comprising both substitutable and non-substitutable pharmaceuticals were included. The study period was from January 2000 to June 2005. National sales data were used, covering volumes of dispensed prescription medicines (expressed in defined daily doses per 1000 inhabitants and day) of each pharmacological substance in the therapeutic groups for each age and gender group. Sales patterns for substitutable and non-substitutable pharmaceuticals were compared using a descriptive approach. In most therapeutic groups there has been an increase in the volumes of substitutable pharmaceuticals sold since the introduction of the reform, ranging from one third to three times the initial volume; whereas the volumes of non-substitutable pharmaceuticals have levelled out or declined. There were few gender differences in sales patterns of substitutable and non-substitutable drugs. In three therapeutic groups, sales patterns differed across different age groups, and there was a tendency for volumes of recently introduced non-substitutable pharmaceuticals to be proportionally higher in the youngest age groups. Since the introduction of the reform, there has been a proportionally larger increase in sales of substitutable pharmaceuticals compared with sales of non-substitutable pharmaceuticals. This indicates that the reform might have contributed to larger sales of less expensive pharmaceuticals.

  19. Discovery of remarkable subpulse drifting pattern in PSR B0818-41

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, B.; Gupta, Y.; Gil, J.; Sendyk, M.

    The study of pulsars showing systematic subpulse drift patterns provides important clues for understanding of pulsar emission mechanism. Pulsars with wide profiles provide extra insights because of the presence of multiple drift bands (e.g PSR B0826-34). We report the discovery of a remarkable subpulse drift pattern in a relatively less studied wide profile pulsar, PSR B0818-41, using the GMRT. We find simultaneous occurrence of three drift regions with two drift rates, an inner region with steeper apparent drift rate flanked on each side by a region of slower apparent drift rate. Furthermore, the two closely spaced drift regions always maintain a constant phase relationship. These unique drift properties seen for this pulsar is very rare. We interpret that the observed drift pattern is created by intersection of our line of sight (LOS) with two conal rings in a inner LOS (negative beta) geometry. We argue that the carousel rotation periodicity (P_4) and the number of sparks (N_sp) are the same for the rings and claim that P_4 is close to the measured P_3. Based on our analysis results and interpretations, we simulate the radiation from B0818-41. The simulations support our interpretations and reproduce the average profile and the observed drift pattern. The results of our study show that PSR B0818-41 is a powerful system to explore the pulsar radio emission mechanism, the implications of which are also discussed in our work.

  20. No-carrier-added (NCA) aryl (18E) fluorides via the nucleophilic aromatic substitution of electron rich aromatic rings

    DOEpatents

    Ding, Yu-Shin; Fowler, Joanna S.; Wolf, Alfred P.

    1993-01-01

    A method for synthesizing no-carrier-added (NCA) aryl [.sup.18 F] fluoride substituted aromatic aldehyde compositions bearing an electron donating group is described. The method of the present invention includes the step of reacting aromatic nitro aldehydes having a suitably protected hydroxyl substitutent on an electron rich ring. The reaction is The U.S. Government has rights in this invention pursuant to Contract Number DE-AC02-76CH00016, between the U.S. Department of Energy and Associated Universities Inc.

  1. Novel stereocontrolled approach to syn- and anti-oxepene-cyclogeranyl trans-fused polycyclic systems: asymmetric total synthesis of (-)-Aplysistatin, (+)-Palisadin A, (+)-Palisadin B, (+)-12-hydroxy-palisadin B, and the AB ring system of adociasulfate-2 and toxicol A.

    PubMed

    Couladouros, Elias A; Vidali, Veroniki P

    2004-08-06

    A new stereocontrolled method for the formation of trans-anti cyclogeranyl-oxepene systems is described. The demanding stereochemistry is secured by stereoselective coupling of a cyclogeranyl tertiary alcohol with a 1,2-unsymmetrically substituted epoxide, while the formation of the highly strained oxepene is achieved employing ring-closing metathesis. Since the stereochemistry of the trans-fused 6,7-ring system is determined by the epoxide, the method also allows the construction of trans-syn 6,7-ring systems. This approach leads to the synthesis of the AB fragment of Adociasulfate-2 and Toxicol A, for the first time. The flexibility and efficiency of the presented strategy is demonstrated by the total asymmetric synthesis of (-)-Aplysistatin, (+)-Palisadin A, (+)-12-hydroxy-Palisadin B, and (+)-Palisadin B, employing two similar key intermediates.

  2. Straw in the B Ring Edge

    NASA Image and Video Library

    2017-01-30

    This image shows a region in Saturn's outer B ring. NASA's Cassini spacecraft viewed this area at a level of detail twice as high as it had ever been observed before. The view here is of the outer edge of the B ring, at left, which is perturbed by the most powerful gravitational resonance in the rings: the "2:1 resonance" with the icy moon Mimas. This means that, for every single orbit of Mimas, the ring particles at this specific distance from Saturn orbit the planet twice. This results in a regular tugging force that perturbs the particles in this location. A lot of structure is visible in the zone near the edge on the left. This is likely due to some combination of the gravity of embedded objects too small to see, or temporary clumping triggered by the action of the resonance itself. Scientists informally refer to this type of structure as "straw." This image was taken using a fairly long exposure, causing the embedded clumps to smear into streaks as they moved in their orbits. Later Cassini orbits will bring shorter exposures of the same region, which will give researchers a better idea of what these clumps look like. But in this case, the smearing does help provide a clearer idea of how the clumps are moving. This image is a lightly processed version, with minimal enhancement; this version preserves all original details present in the image. Another other version (Figure 1) has been processed to remove the small bright blemishes due to cosmic rays and charged particle radiation near the planet -- a more aesthetically pleasing image, but with a slight softening of the finest details. The image was taken in visible light with the Cassini spacecraft wide-angle camera on Dec. 18, 2016. The view was obtained at a distance of approximately 32,000 miles (52,000 kilometers) from the rings and looks toward the unilluminated side of the rings. Image scale is about a quarter-mile (360 meters) per pixel. http://photojournal.jpl.nasa.gov/catalog/PIA21057

  3. Substitution rate and natural selection in parvovirus B19

    PubMed Central

    Stamenković, Gorana G.; Ćirković, Valentina S.; Šiljić, Marina M.; Blagojević, Jelena V.; Knežević, Aleksandra M.; Joksić, Ivana D.; Stanojević, Maja P.

    2016-01-01

    The aim of this study was to estimate substitution rate and imprints of natural selection on parvovirus B19 genotype 1. Studied datasets included 137 near complete coding B19 genomes (positions 665 to 4851) for phylogenetic and substitution rate analysis and 146 and 214 partial genomes for selection analyses in open reading frames ORF1 and ORF2, respectively, collected 1973–2012 and including 9 newly sequenced isolates from Serbia. Phylogenetic clustering assigned majority of studied isolates to G1A. Nucleotide substitution rate for total coding DNA was 1.03 (0.6–1.27) x 10−4 substitutions/site/year, with higher values for analyzed genome partitions. In spite of the highest evolutionary rate, VP2 codons were found to be under purifying selection with rare episodic positive selection, whereas codons under diversifying selection were found in the unique part of VP1, known to contain B19 immune epitopes important in persistent infection. Analyses of overlapping gene regions identified nucleotide positions under opposite selective pressure in different ORFs, suggesting complex evolutionary mechanisms of nucleotide changes in B19 viral genomes. PMID:27775080

  4. Structure of a BMI-1-Ring1B Polycomb Group Ubiquitin Ligase Complex

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li,Z.; Cao, R.; Wang, M.

    2006-01-01

    Polycomb group (PcG) proteins Bmi-1 and Ring1B are core subunits of the PRC1 complex which plays important roles in the regulation of Hox gene expression, X-chromosome inactivation, tumorigenesis and stem cell self-renewal. The RING finger protein Ring1B is an E3 ligase that participates in the ubiquitination of lysine 119 of histone H2A, and the binding of Bmi-1 stimulates the E3 ligase activity. We have mapped the regions of Bmi-1 and Ring1B required for efficient ubiquitin transfer and determined a 2.5 Angstroms structure of the Bmi-1-Ring1B core domain complex. The structure reveals that Ring1B 'hugs' Bmi-1 through extensive RING domain contactsmore » and its N-terminal tail wraps around Bmi-1. The two regions of interaction have a synergistic effect on the E3 ligase activity. Our analyses suggest a model where the Bmi-1-Ring1B complex stabilizes the interaction between the E2 enzyme and the nucleosomal substrate to allow efficient ubiquitin transfer.« less

  5. The Mass of Saturn's B ring from hidden density waves

    NASA Astrophysics Data System (ADS)

    Hedman, M. M.; Nicholson, P. D.

    2015-12-01

    The B ring is Saturn's brightest and most opaque ring, but many of its fundamental parameters, including its total mass, are not well constrained. Elsewhere in the rings, the best mass density estimates come from spiral waves driven by mean-motion resonances with Saturn's various moons, but such waves have been hard to find in the B ring. We have developed a new wavelet-based technique, for combining data from multiple stellar occultations that allows us to isolate the density wave signals from other ring structures. This method has been applied to 5 density waves using 17 occultations of the star gamma Crucis observed by the Visual and Infrared Mapping Spectrometer (VIMS) onboard the Cassini spacecraft. Two of these waves (generated by the Janus 2:1 and Mimas 5:2 Inner Lindblad Resonances) are visible in individual occultation profiles, but the other three wave signatures ( associated with the Janus 3:2, Enceladus 3:1 and Pandora 3:2 Inner Lindblad Resonances ) are not visible in individual profiles and can only be detected in the combined dataset. Estimates of the ring's surface mass density derived from these five waves fall between 40 and 140 g/cm^2. Surprisingly, these mass density estimates show no obvious correlation with the ring's optical depth. Furthermore, these data indicate that the total mass of the B ring is probably between one-third and two-thirds the mass of Saturn's moon Mimas.

  6. No-carrier-added (NCA) aryl ([sup 18]F) fluorides via the nucleophilic aromatic substitution of electron rich aromatic rings

    DOEpatents

    Yushin Ding; Fowler, J.S.; Wolf, A.P.

    1993-10-19

    A method for synthesizing no-carrier-added (NCA) aryl [.sup.18 F] fluoride substituted aromatic aldehyde compositions bearing an electron donating group is described. The method of the present invention includes the step of reacting aromatic nitro aldehydes having a suitably protected hydroxyl substitutent on an electron rich ring. The reaction is The U.S. Government has rights in this invention pursuant to Contract Number DE-AC02-76CH00016, between the U.S. Department of Energy and Associated Universities Inc.

  7. The boron conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters

    NASA Astrophysics Data System (ADS)

    Pham, Hung Tan; Duong, L. V.; Tam, Nguyen Minh; Pham-Ho, M. P.; Nguyen, Minh Tho

    2014-07-01

    Geometries and bonding of B30, B36, B40 and B42 clusters were studied using quantum chemical computations. The bowl B30 and B36 and planar B42 clusters exhibit disk aromaticity. Diatropic ring current is strong in B30 and weaker in B42. A fullerene-like B40 (D2d) having two hexagons and four heptagons was found as the lowest-lying isomer. Such a fullerene whose MOs closely mimic those of the buckyball B80, represents novel structural feature of boron clusters. The most stable B42 (C2h) isomer is a triple ring tube with consistent σ + π diatropic magnetic responses making it a tubular aromatic species.

  8. Ring-substituted 4-hydroxy-1H-quinolin-2-ones: preparation and biological activity.

    PubMed

    Jampilek, Josef; Musiol, Robert; Pesko, Matus; Kralova, Katarina; Vejsova, Marcela; Carroll, James; Coffey, Aidan; Finster, Jacek; Tabak, Dominik; Niedbala, Halina; Kozik, Violetta; Polanski, Jaroslaw; Csollei, Jozef; Dohnal, Jiri

    2009-03-13

    In the study, a series of twelve ring-substituted 4-hydroxy-1H-quinolin-2-one derivatives were prepared. The procedures for synthesis of the compounds are presented. The compounds were analyzed using RP-HPLC to determine lipophilicity and tested for their photosynthesis-inhibiting activity using spinach (Spinacia oleracea L.) chloroplasts. All the synthesized compounds were also evaluated for antifungal activity using in vitro screening with eight fungal strains. For all the compounds, the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed, as well as their structure-activity relationships (SAR).

  9. Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.

    PubMed

    Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R

    2018-06-07

    An asymmetric catalytic reaction of hydroxyindoles with nitroalkenes leading to the Friedel-Crafts alkylation in the carbocyclic ring of indole is presented. The method is based on the activating/directing effects of the hydroxy group situated in the carbocyclic ring of the indole providing nitroalkylated indoles functionalizated at the C-4, C-5, and C-7 positions with high yield, regio-, and enantioselectivity. The optically enriched nitroalkanes were transformed efficiently in optically enriched 2-amino-1,1-diarylalkanes bearing a carbocyclic ring substituted indole.

  10. The Synthesis of Methyl-Substituted Spirocyclic Piperidine-Azetidine (2,7-Diazaspiro[3.5]nonane) and Spirocyclic Piperidine-Pyrrolidine (2,8-Diazaspiro[4.5]decane) Ring Systems.

    PubMed

    Smith, Aaron C; Cabral, Shawn; Kung, Daniel W; Rose, Colin R; Southers, James A; García-Irizarry, Carmen N; Damon, David B; Bagley, Scott W; Griffith, David A

    2016-05-06

    The synthesis of a series of pharmaceutically important N-protected methyl-substituted spirocyclic piperidine-azetidine (2,7-diazaspiro[3.5]nonane) and spirocyclic piperidine-pyrrolidine (2,8-diazaspiro[4.5]decane) ring systems was developed. These motifs contain two differentiated sites (protected secondary amines) to allow for further functionalization via reductive amination, amidation, or other chemistry. The methyl-substituted spiroazetidine ring systems were accessed using nitrile lithiation/alkylation chemistry while the methyl-substituted spiropyrrolidines were synthesized by 1,4-addition reactions with nitroalkanes, followed by reduction and cyclization. These conditions were then scaled for the synthesis of 1-methyl spirocyclic piperidine-pyrrolidine with a classical resolution of the product using a tartaric acid derivative to isolate a single enantiomer.

  11. Synthesis of Volumetric Ring Antenna Array for Terrestrial Coverage Pattern

    PubMed Central

    Reyna, Alberto; Panduro, Marco A.; Del Rio Bocio, Carlos

    2014-01-01

    This paper presents a synthesis of a volumetric ring antenna array for a terrestrial coverage pattern. This synthesis regards the spacing among the rings on the planes X-Y, the positions of the rings on the plane X-Z, and uniform and concentric excitations. The optimization is carried out by implementing the particle swarm optimization. The synthesis is compared with previous designs by resulting with proper performance of this geometry to provide an accurate coverage to be applied in satellite applications with a maximum reduction of the antenna hardware as well as the side lobe level reduction. PMID:24701150

  12. Investigation into the ring-substituted polyanilines and their application for the detection and adsorption of sulfur dioxide

    PubMed Central

    Tian, Yuhong; Qu, Ke; Zeng, Xiangqun

    2017-01-01

    It has been demonstrated in this study that the substituents on the monomer aniline benzene ring are able to introduce the significant differences to the resulting polyaniline’s collective properties. We systematically evaluated the structural perturbation effects of two substituents (methyl and methoxy) of aniline monomer through the electrochemical method. Our results showed that the methoxy group induces the less structural perturbation than the methyl counterpart, because of its partial double bond restriction. The morphologies are different for the polyaniline and the ring-substituted polyanilines, in which substituted polyanilines feature the larger porosities with the addition of these side groups. The influential effects of the methoxy side group have been further illustrated and amplified by its superior sensing performance towards the environmentally-significant sulfur dioxide gas, evaluated through the construction of the quartz crystal microbalance (QCM)-based gas sensor with these polyaniline materials. The as-constructed gas sensor’s sensitivity, selectivity and stability in terms of its SO2 responses have been evaluated in details. The methoxy-substituted polyaniline was tested to show the unique gas sensing properties for the sulfur dioxide at the low concentrations (50–250 ppm) and function as the adsorbing material at the high concentrations (500–1250 ppm). Thus it can be used both as sensing material as well as a novel filter and/or storage reservoir for the removal of sulfur dioxide pollutant from the environments. PMID:29033497

  13. Nonlinear ring resonator: spatial pattern generation

    NASA Astrophysics Data System (ADS)

    Ivanov, Vladimir Y.; Lachinova, Svetlana L.; Irochnikov, Nikita G.

    2000-03-01

    We consider theoretically spatial pattern formation processes in a unidirectional ring cavity with thin layer of Kerr-type nonlinear medium. Our method is based on studying of two coupled equations. The first is a partial differential equation for temporal dynamics of phase modulation of light wave in the medium. It describes nonlinear interaction in the Kerr-type lice. The second is a free propagation equation for the intracavity field complex amplitude. It involves diffraction effects of light wave in the cavity.

  14. Identification of the altered pyrrole in the isomeric sulfmyoglobins: hyperfine shift patterns as indicators of ring saturation in ferric chlorins.

    PubMed

    Chatfield, M J; La Mar, G N; Smith, K M; Leung, H K; Pandey, R K

    1988-03-08

    Analysis of the 1H NMR hyperfine shift patterns of isomeric sulfmyoglobins is carried out in the met-aquo and met-cyano states to determine the site of saturation in each protein. The utility of the patterns for structure elucidation is established by specific deuterium labeling of the heme methyls of the terminal base product. On the basis of the known saturation of ring B in this isomer [Chatfield, M.J., La Mar, G.N., Lecomte, J.T.J., Balch, A.L., Smith, K.M., & Langry, K.C. (1986) J. Am. Chem. Soc. 108, 7108-7110], the methyl resonance of the saturated ring is found to have strongly attenuated contact shift. Thus, the heme methyl contact shift pattern is diagnostic for the saturated pyrrole in the high-spin state. This rationale is then applied to analyze the assigned NMR spectra of the initial and terminal acid sulfmyoglobin products, revealing that the same ring B is saturated in each isomer. In contrast, the heme methyl contact shift pattern in low-spin ferric complexes reveals that the methyls both on the affected pyrrole and on the trans pyrrole are influenced similarly on sulfmyoglobin formation, precluding the use of this methyl shift pattern as a unique indicator of the site of saturation. Identification of exchangeable proximal histidine resonances for met-aquo sulfmyoglobin complexes with shifts similar to that in native myoglobin dictates inconsequential axial alterations in the sulfmyoglobins, while location of downfield meso proton resonances analogous to those of the native protein demonstrates the retention of the coordinate water in the active site of met-sulfmyoglobin.

  15. Effect of acyl donor chain length and substitutions pattern on the enzymatic acylation of flavonoids.

    PubMed

    Ardhaoui, M; Falcimaigne, A; Ognier, S; Engasser, J M; Moussou, P; Pauly, G; Ghoul, M

    2004-06-10

    Rutin and esculin were enzymatically acylated with different aliphatic acids as acyl donors (fatty acids, dicarboxylic acids and omega-substituted fatty acids) by an immobilized lipase from Candida antarctica. The effect of the water content and the acyl donors pattern on the flavonoid initial acylation rate and conversion yield were investigated. The obtained results indicated that the water content of the medium has a strong effect on the performance of these reactions. The best conversion yields were reached when the water content was kept lower than 200 ppm. At low water content of the medium, these syntheses are influenced by carbon chain length and substitution pattern of the acyl donors. Higher conversion yields of esculin and rutin (>70%) were obtained with aliphatic acids having high carbon chain length (>12). Moreover, it has been found that the amine and thiol groups on omega-substituted fatty acid chain were unfavourable to these reactions. The 1H NMR and 13C NMR analyses of some synthesized esters (esculin and rutin palmitate) show that only monoesters were produced and that the esterification takes place on the primary OH of glucose moiety of the esculin and on the secondary 4"'-OH of the rhamnose residue of rutin. Copyright 2004 Elsevier B.V.

  16. Substituent effects on rates and torquoselectivities of electrocyclic ring-openings of N-substituted 2-azetines.

    PubMed

    Lopez, Steven A; Houk, K N

    2014-07-03

    Transition structures for the conrotatory electrocyclic ring-opening reactions of N-substituted 2-azetines were computed with the density functional M06-2X/6-31+G(d,p). A wide range of substituents from π acceptors (e.g., CHO, CN) to π donors (NMe2, OMe) was explored. Acceptor substituents delocalize the nitrogen lone pair and stabilize the reactant state of 2-azetines, while donors destabilize the 2-azetine reactant state. The conrotatory ring-opening is torquoselective, and the transition state for the outward rotation of the N-substituent and inward rotation of the nitrogen lone pair is preferred. This transition structure is stabilized by an interaction between the nitrogen lone pair and the vacant π* orbital. The activation free energies are linearly related to the reaction free energies and the Taft σR(0) parameter.

  17. Substituted 2-benzothiazolamines as sodium flux inhibitors: quantitative structure-activity relationships and anticonvulsant activity.

    PubMed

    Hays, S J; Rice, M J; Ortwine, D F; Johnson, G; Schwarz, R D; Boyd, D K; Copeland, L F; Vartanian, M G; Boxer, P A

    1994-10-01

    Thirty-two aryl-substituted 2-benzothiazolamines have been tested for their ability to modulate sodium flux in rat cortical slices. A QSAR analysis, applied to these derivatives, showed a trend toward increasing potency as sodium flux inhibitors with increasing lipophilicity, decreasing size, and increasing electron withdrawal of the benzo ring substituents. Additionally, 4- or 5-substitution of the benzo ring was found to decrease potency. The combination of increased lipophilicity, small size, and electron withdrawal severely limited which groups were tolerated on the benzo ring, thus suggesting that the optimal substitution patterns have been prepared within this series. Nine of these compounds were potent inhibitors of veratridine-induced sodium flux (NaFl). These nine compounds also proved to be anticonvulsant in the maximal electroshock (MES) assay. Fourteen additional 2-benzothiazolamines demonstrated activity in the MES screen, yet exhibited no activity in the NaFl assay. These derivatives may be interacting at the sodium channel in a manner not discernible by the flux paradigm, or they may be acting by an alternative mechanism in vivo.

  18. B-ring-aryl substituted luotonin A analogues with a new binding mode to the topoisomerase 1-DNA complex show enhanced cytotoxic activity.

    PubMed

    González-Ruiz, Víctor; Pascua, Irene; Fernández-Marcelo, Tamara; Ribelles, Pascual; Bianchini, Giulia; Sridharan, Vellaisamy; Iniesta, Pilar; Ramos, M Teresa; Olives, Ana I; Martín, M Antonia; Menéndez, J Carlos

    2014-01-01

    Topoisomerase 1 inhibition is an important strategy in targeted cancer chemotherapy. The drugs currently in use acting on this enzyme belong to the family of the camptothecins, and suffer severe limitations because of their low stability, which is associated with the hydrolysis of the δ-lactone moiety in their E ring. Luotonin A is a natural camptothecin analogue that lacks this functional group and therefore shows a much-improved stability, but at the cost of a lower activity. Therefore, the development of luotonin A analogues with an increased potency is important for progress in this area. In the present paper, a small library of luotonin A analogues modified at their A and B rings was generated by cerium(IV) ammonium nitrate-catalyzed Friedländer reactions. All analogues showed an activity similar or higher than the natural luotonin A in terms of topoisomerase 1 inhibition and some compounds had an activity comparable to that of camptothecin. Furthermore, most compounds showed a better activity than luotonin A in cell cytotoxicity assays. In order to rationalize these results, the first docking studies of luotonin-topoisomerase 1-DNA ternary complexes were undertaken. Most compounds bound in a manner similar to luotonin A and to standard topoisomerase poisons such as topotecan but, interestingly, the two most promising analogues, bearing a 3,5-dimethylphenyl substituent at ring B, docked in a different orientation. This binding mode allows the hydrophobic moiety to be shielded from the aqueous environment by being buried between the deoxyribose belonging to the G(+1) guanine and Arg364 in the scissile strand and the surface of the protein and a hydrogen bond between the D-ring carbonyl and the basic amino acid. The discovery of this new binding mode and its associated higher inhibitory potency is a significant advance in the design of new topoisomerase 1 inhibitors.

  19. Saturn B Ring, Finer Than Ever

    NASA Image and Video Library

    2017-01-30

    This image shows a region in Saturn's outer B ring. NASA's Cassini spacecraft viewed this area at a level of detail twice as high as it had ever been observed before. And from this view, it is clear that there are still finer details to uncover. Researchers have yet to determine what generated the rich structure seen in this view, but they hope detailed images like this will help them unravel the mystery. In order to preserve the finest details, this image has not been processed to remove the many small bright blemishes, which are created by cosmic rays and charged particle radiation near the planet. The image was taken in visible light with the Cassini spacecraft wide-angle camera on Dec. 18, 2016. The view was obtained at a distance of approximately 32,000 miles (51,000 kilometers) from the rings, and looks toward the unilluminated side of the rings. Image scale is about a quarter-mile (360 meters) per pixel. http://photojournal.jpl.nasa.gov/catalog/PIA21058

  20. Ring-shaped stain patterns driven by solute reactive mesogens in liquid crystal solution

    NASA Astrophysics Data System (ADS)

    Cha, Tae Woon; Bulliard, Xavier; Choi, Sang Gun; Lee, Hyoung Sub; Kong, Hyang-Shik; Han, Sang Youn

    2014-07-01

    We report on the formation of ring-shaped stain patterns in a polymer-stabilized patterned vertical alignment mode liquid crystal display (LCD) during the cell filling process. Through the interpretation of the formation mechanism, an effective way to control its development is provided. Systematic trace of the reactive mesogens reveals that the formation of patterns is strongly related to the segregation of solute mesogens in the stain area. These undesirable patterns can be avoided or controlled by reducing the drop volume at each droplet using an inkjet printing technique, meaning that the printing technique could be a useful solution in display technology. For the formation of ring-shaped patterns, the dragging of reactive mesogens during the spreading of the liquid crystal solution plays a key role in the closed LCD cell.

  1. A theoretical DFT study on the structural parameters and azide-tetrazole equilibrium in substituted azidothiazole systems.

    PubMed

    Abu-Eittah, Rafie H; El-Kelany, Khaled E

    2012-12-01

    Azido-tetrazole equilibrium is sensitive to: substitution, solvent, temperature and phase. In this work, the effects of the type and position of substitution on the thiazole ring of azidothiazoles on its structural parameters and on the azido-tetrazole equilibrium have been theoretically investigated using the density functional procedures at the B3LYP/6-311G(∗∗) level of theory. This study includes the investigation of the equilibrium geometry, the transformation of the trans-conformer to the cis one then the ring closure to the tetrazole isomer. The transition states of the two steps were located, confirmed and the structural parameters were calculated. In all the steps of calculations, geometry optimization was considered. The results obtained indicate that substitution by: -NO(2) and -CN group shifts the equilibrium to the azide side and in some cases the tetrazole isomer is not obtained. On the other hand, substitution by: -NH(2) and -OH groups shifts the equilibrium to the tetrazole side and in some cases the azide isomer is not obtained and if formed changes spontaneously to the tetrazole isomer. The decisive parameters which determine the position of the equilibrium are: charge density on atoms N3 and N8, rearrangement of bond length and bond angles during the process of cyclization and variation of dipole moment as a result of cyclization. Results of this work indicate that substitution on C5 is more efficient than substitution on C4 of the thiazole ring. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. CIRS High-Resolution Thermal Scans and the Structure of Saturn's B Ring

    NASA Astrophysics Data System (ADS)

    Brooks, S. M.; Spilker, L. J.; Showalter, M.; Pilorz, S.; Edgington, S. G.

    2017-12-01

    The flyby of Titan on November 29, 2016, sent the Cassini spacecraft on a trajectory that would take it within 10,000 kilometers of Saturn's F ring multiple times before a subsequent Titan encounter on April 22, 2017, would send it on ballistic trajectory carrying it between Saturn's cloud tops and the planet's D ring for several flybys. This geometry has proven beneficial for high-resolution studies of the rings, not just because of Cassini's proximity to the rings, but also because of the spacecraft's high elevation angle above the rings, which reduces the foreshortening that tends to degrade resolution in the ring plane. We will report on several observations of Saturn's main rings at the high spatial resolutions enabled by the end-of-mission geometry, particulary the B ring, with the Composite Infrared Spectrometer onboard Cassini during the F-ring and proximal orbits. CIRS' three infrared detectors cover a combined spectral range of 10 to 1400 cm-1 (1 mm down to 7 microns). We focus on data from Focal Plane 1, which covers the 10 to 600 cm-1 range (1 mm to 16 microns). The apodized spectral resolution of the instrument can be varied from 15 cm-1 to 0.5 cm-1 (Flasar et al. 2004). FP1's wavelength range makes it well-suited to sensing thermal emission from objects at temperatures typical of Saturn's rings. Correlating ring optical depth with temperatures retrieved from scans of the face of the rings exposed to direct solar illumination (the lit face) and the opposite (unlit) face suggests differences in ring structure or particle transport between the lit and unlit sides of the rings in different regions of the B ring. Lit side temperatures in the core of the B ring range between 82 and 87 K; temperatures on the unlit side of the core vary from 66 K up to 74 K. Ferrari and Reffet (2013) and Pilorz et al. (2015) published thorough analyses of the thermal throughput across this optically thick ring. We will discuss these recent CIRS rings observations and their

  3. Reductive ring closure methodology toward heteroacenes bearing a dihydropyrrolo[3,2-b]pyrrole core: scope and limitation.

    PubMed

    Qiu, Li; Wang, Xiao; Zhao, Na; Xu, Shiliang; An, Zengjian; Zhuang, Xuhui; Lan, Zhenggang; Wen, Lirong; Wan, Xiaobo

    2014-12-05

    A newly developed reductive ring closure methodology to heteroacenes bearing a dihydropyrrolo[3,2-b]pyrrole core was systematically studied for its scope and limitation. The methodology involves (i) the cyclization of an o-aminobenzoic acid ester derivative to give an eight-membered cyclic dilactam, and (ii) the conversion of the dilactams into the corresponding diimidoyl chloride, which undergoes (iii) reductive ring closure to install the dihydropyrrolo[3,2-b]pyrrole core. The first step of the methodology plays the key role due to its substrate limitation, which suffers from the competition of oligomerization and hydrolysis. All the dilactams could successfully convert to the corresponding diimidoyl chlorides, most of which succeeded to give the dihydropyrrolo[3,2-b]pyrrole core. The influence of the substituents and the elongation of conjugated length on the photophysical properties of the obtained heteroacenes were then investigated systematically using UV-vis spectroscopy and cyclic voltammetry. It was found that chlorination and fluorination had quite a different effect on the photophysical properties of the heteroacene, and the ring fusing pattern also had a drastic influence on the band gap of the heteroacene. The successful preparation of a series of heteroacenes bearing a dihydropyrrolo[3,2-b]pyrrole core would provide a wide variety of candidates for further fabrication of organic field-effect transistor devices.

  4. High-resolution 17O double-rotation NMR characterization of ring and non-ring oxygen in vitreous B2O3.

    PubMed

    Wong, Alan; Howes, Andy P; Parkinson, Ben; Anupõld, Tiit; Samoson, Ago; Holland, Diane; Dupree, Ray

    2009-08-28

    The application of double rotation (DOR) NMR to crystalline materials (both inorganic and organic) has made tremendous strides in providing site-specific information about materials in recent years. However (17)O DOR has yet to demonstrate its potential in disordered materials such as glasses. In the present study, we have successfully recorded high resolution (17)O DOR spectra of vitreous B(2)O(3) (v-B(2)O(3)), a highly effective glass-forming oxide of considerable technological importance. Two distinct oxygen sites are resolved and a complete set of (17)O NMR parameters were determined from the DOR spectra. These were assigned to oxygen atoms in the planar boroxol ring [B(3)O(6)] and in the non-boroxol [BO(3)] groups which share oxygen with the ring boron atoms. This assignment was based on the similarity of all of their (17)O parameters with those found by DFT calculation for caesium enneaborate, Cs(2)O.9B(2)O(3), which has two boroxol rings in its structure. The boroxol ring oxygens have a more positive chemical shift, a larger shift anisotropy and a smaller electric field gradient than non ring oxygens (O(R): delta(iso) = 100 +/- 1 ppm, span = 180 +/- 20 ppm, skew = -0.4 +/- 0.1, P(q) = 5.0 +/- 0.2 MHz; O(NR): delta(iso) = 86 +/- 1 ppm, span = 100 +/- 20 ppm, skew = 0.1 +/- 0.1, P(q) = 5.7 +/- 0.2 MHz). The relative proportions of the two sites in v-B(2)O(3) are approximately 1 : 1, as expected if all three boron atoms in the boroxol ring are each connected to one oxygen in a linking [BO(3)] group and there are very few [BO(3)]-[BO(3)] linkages. We see no evidence for a third oxygen site such as has been reported in an earlier study of v-B(2)O(3). This work demonstrates the potential of (17)O DOR to provide site-specific information in disordered materials.

  5. Regioselective palladium-catalyzed ring-opening reactions of C1-substituted oxabicyclo[2,2,1]hepta-2,5-diene-2,3-dicarboxylates

    PubMed Central

    Edmunds, Michael; Raheem, Mohammed Abdul; Boutin, Rebecca; Tait, Katrina

    2016-01-01

    Summary Palladium-catalyzed ring-opening reactions of C1 substituted 7-oxanorbornadiene derivatives with aryl iodides were investigated. The optimal conditions for this reaction were found to be PdCl2(PPh3)2, ZnCl2, Et3N and Zn in THF. Both steric and electronic factors played a role in the outcome of the reaction as increasing the steric bulk on the bridgehead carbon decreased the yield. These reactions were found to be highly regioselective, giving only one of the two possible regioisomers in all cases. A diverse collection of novel, highly substituted biphenyl derivatives were obtained. PMID:26977182

  6. Multiple Near Wake Patterns Behind Annular Rings

    NASA Astrophysics Data System (ADS)

    Zhang, Jinzhong; Higuchi, Hiroshi; Muzas, Brian K.; Furuya, Shojiro

    1996-11-01

    Wake interactions behind concentric annular rings at different spacing ratios were experimentally investigated. The flow visualization, laser Doppler velocimetry data and results from the particle tracking velocimetry are presented and discussed. Jets through individual slots merged in multiply-stable, axisymmetric manners. Most flow patterns were persistent unless the flow was strongly disturbed. The vortex interactions from individual annular elements were also axisymmetric in the near wake. This is in contrast to the asymmetric flows observed earlier behind two-dimensional slotted plates (Higuchi et al. J. Aircraft 26 1989, Phys. Fluids 6(1), 1994). The intermediate wake, however, was dominated by large scale, three-dimensional wake motions even at moderate porosity. Onset of the specific flow patterns was associated with the interactions among start-up vortices. Given model geometry, different turbulent structures and mean velocity profiles were observed in the intermediate wake depending on the near wake pattern. *BKM was a NSF-REU Program undergrad. from Princeton U. and SF was from Mitsubishi Heavy Industries. This work was suppoted in part by the Naval Air Warfare Center.

  7. Mass Spectra of Some Perfluoroalkyl and Perfluoroalkylether Substituted 1,2,4-Oxadiazoles

    NASA Technical Reports Server (NTRS)

    Paciorek, Kazimiera J. L.; Nakahara, James H.; Kratzer, Reinhold H.; Rosser, Robert W.

    1977-01-01

    Electron impact fragmentation patterns were obtained for 1,4-bis[(5-perfluoro-n-heptyl)-1,2,4-oxadiazolyl- benzene, its perfluoroalkylether substituted analogue, 3,5-bis(perfluoroalkyl)-, 3,5-bis(perfluoroalkylether)- and 3-perfluoroalkylether-5-perfluoroalkyl-1,2,4-oxadiazoles. In the compounds containing the phenylene group the molecular ion constituted the base peak; the main process was the breakdown of the oxadiazole ring with concurrent liberation of the perfluoroalkyl or perfluoroalkylether nitrile molecule; cleavage of the fluorinated chain ot to the oxadiazole ring was found to take place to a considerable degree. In the perfluorinated 1,2,4-oxadiazoles cleavage beta to the oxadiazole ring occurred preferentially; fragmentation of the ring itself took place to a limited degree only. The 3-perfluoroalkylether-5-perfluoroalkyl-1,2,4-oxadiazole appeared to undergo the primary beta-cleavage exclusively at the perfluoroalkylether sidechain.

  8. Substitution and addition reactions of •OH with p-substituted-phenols

    NASA Astrophysics Data System (ADS)

    Albarrán, Guadalupe; Galicia-Jiménez, Eduardo; Mendoza, Edith; Schuler, Robert H.

    2017-04-01

    The directing effect of a hydroxyl group on the substitution and addition reactions of •OH to the substituted and free positions in aromatic rings of p-substituted-phenols were studied in aqueous solutions containing either K3Fe(CN)6 as an oxidant of the substituted hydroxycyclohexadienyl radical initially formed or using ascorbic acid. The results showed that the attack of the •OH to the substituted position (ipso position) was followed by elimination of the substituent producing hydroquinone. The addition reaction of the •OH to the free position on the ring produced 4-substituent-catechol and 4-substituent-resorcinol derivatives. Identification and quantification of the radiolytic products were carried out using high performance liquid chromatography. The results of the yields are given for the p-halogen-phenols (p-X-Ph) p-F-Ph, p-Cl-Ph, p-Br-Ph and p-I-Ph. Other compounds, p-nitro-Ph, p-OH-benzoic acid, p-OH-benzonitrile, p-OH-benzaldehyde, p-OH-anisole and p-OH-benzyl alcohol (represented as p-Z-Ph), were only studied using K3Fe(CN)6 as the oxidant. The results show that the p-X-Ph are attacked by the •OH at the ipso position to the halogen in the proportion 1:0.53:0.46:0.11 for F>Cl>Br>I. The •OH attacked at the ipso position to the p-Z-Phs through a substitution reaction, which depended on the substituent group. Thus, the strongly deactivating groups produced less hydroquinone, indicating less substitution reaction than the strongly activating groups.

  9. Polymers Containing Diphenylvinyl-Substituted Indole Rings as Charge-Transporting Materials for OLEDs

    NASA Astrophysics Data System (ADS)

    Grigalevicius, S.; Zostautiene, R.; Sipaviciute, D.; Stulpinaite, B.; Volyniuk, D.; Grazulevicius, J. V.; Liu, L.; Xie, Z.; Zhang, B.

    2016-02-01

    Monomers and polymers containing electronically isolated diphenylvinyl-substituted indole rings were synthesized and characterized by nuclear magnetic resonance (NMR) and mass spectroscopies as well as by gel permeation chromatography. The polymers represent amorphous materials with glass transition temperatures of 91-109°C and thermal decomposition starting above 307°C. Electron photoemission spectra of thin films of the synthesized polymers revealed ionization potentials of 5.54-5.58 eV. The synthesized polymers were tested as hole-transporting materials in simple electroluminescent organic light-emitting diode (OLED) devices with tris(quinolin-8-olato)aluminium (Alq3) as an emitter as well as an electron-transporting layer. A green OLED device containing a hole-transporting layer of poly[1-(2,3-epithiopropyl)-2-methyl-3-(2,2-diphenylvinyl)índole] exhibited the best overall performance with a driving voltage of 4.0 V, maximum photometric efficiency of 2.8 cd/A and maximum brightness of about 4200 cd/m2.

  10. The behavior of spokes in Saturn's B ring

    NASA Astrophysics Data System (ADS)

    Mitchell, C. J.; Porco, C. C.; Dones, H. L.; Spitale, J. N.

    2013-07-01

    We present the first results from Cassini ISS observations aimed at determining both the short-term and long-term behavior of the spokes in Saturn's B ring. We have observed multiple spokes which appear between images where there was not a spoke before. The radial termini of these new spokes expand radially at ˜0.5 km/s in both the inward and outward directions and both towards and away from corotation. Defining a spoke's activity as the area-integrated optical depth over the region of the ring it covers, we find that the majority of spokes which are found in multiple images are either increasing or decreasing in activity. In addition, in analyzing the shapes and motions of spokes, we find the azimuthal profiles to be well-fitted by Gaussians for the majority of spokes. We have found that several of the imaged spokes were undergoing an "active" phase during which the spoke's optical depth increases and the spoke grows both azimuthally and radially. We interpret these motions to be either due to the Lorentz force acting on dust grains charged by a very high temperature plasma or the group velocity of an advancing spoke-forming front. The spokes' light scattering behavior suggests that the particles comprising them are not spherical but instead are irregularly shaped. We search for periodicities in the longer-term temporal variability of spoke activity, and for correlations between spoke activity and other processes ongoing in Saturn's magnetosphere and atmosphere. Using the latest results on the periods and locations of the sources of Saturn's Kilometric Radiation (SKR) obtained by the Cassini Radio and Plasma Wave experiment (RPWS) (Gurnett, D.A., Groene, J.B., Averkamp, J.B., Kurth, W.S., Ye, S.-Y., Fischer, G. [2011]. Planet. Solar Heliosph. Radio Emis. PRE VII, 51-64), we find that spoke activity observed on both sides of Saturn's rings occurs with a period equal to, within all uncertainties, the period of the SKR emissions arising from the northern SKR source

  11. Dewetting-mediated pattern formation inside the coffee ring

    NASA Astrophysics Data System (ADS)

    Li, Weibin; Lan, Ding; Wang, Yuren

    2017-04-01

    The rearrangement of particles in the final stage of droplet evaporation has been investigated by utilizing differential interference contrast microscopy and the formation mechanism of a network pattern inside a coffee ring has been revealed. A tailored substrate with a circular hydrophilic domain is prepared to obtain thin liquid film containing monolayer particles. Real-time bottom-view images show that the evolution of a dry patch could be divided into three stages: rupture initiation, dry patch expansion, and drying of the residual liquid. A growing number of dry patches will repeat these stages to form the network patterns inside the ringlike stain. It can be shown that the suction effect promotes the rupture of the liquid film and the formation of the dry patch. The particle-assembling process is totally controlled by the liquid film dewetting and dominated by the surface tension of the liquid film, which eventually determine the ultimate deposition patterns.

  12. Ab initio studies of isolated boron substitutional defects in graphane

    NASA Astrophysics Data System (ADS)

    Mapasha, R. E.; Chetty, N.

    2017-10-01

    We have systematically studied energetics, structural and electronic properties of different configurations of the B atoms substituting C-H pairs located on a single hexagonal ring in a graphane system using the first-principles density functional theory (DFT). A total number of 12 distinct B dopants configurations were identified and characterized. Based on the formation energy analysis, we found that relative stability of B dopants depends greatly on the defect configurations. Our results suggest that the B substitutions prefer to be distributed randomly but avoiding the formation of homo-elemental B-B bonds in a graphane system, at any concentration. Generally, the values of band gap decrease as the number of B dopants increases, but the low energy configurations have large band gaps compared to those that have homo-elemental bonds. As a result, the band gap of graphane can be fine tuned through the change in the structural arrangement of B atoms. The adequate control of the electronic structure of graphane through doping should be essential for technological device applications.

  13. Ring-enhancement pattern on contrast-enhanced CT predicts adenosquamous carcinoma of the pancreas: a matched case-control study.

    PubMed

    Imaoka, Hiroshi; Shimizu, Yasuhiro; Mizuno, Nobumasa; Hara, Kazuo; Hijioka, Susumu; Tajika, Masahiro; Tanaka, Tsutomu; Ishihara, Makoto; Ogura, Takeshi; Obayashi, Tomohiko; Shinagawa, Akihide; Sakaguchi, Masafumi; Yamaura, Hidekazu; Kato, Mina; Niwa, Yasumasa; Yamao, Kenji

    2014-01-01

    Adenosquamous carcinoma of the pancreas (ASC) is a rare malignant neoplasm of the pancreas, exhibiting both glandular and squamous differentiation. However, little is known about its imaging features. This study examined the imaging features of pancreatic ASC. We evaluated images of contrast-enhanced computed tomography (CT) and endoscopic ultrasonography (EUS). As controls, solid pancreatic neoplasms matched in a 2:1 ratio to ASC cases for age, sex and tumor location were also evaluated. Twenty-three ASC cases were examined, and 46 solid pancreatic neoplasms (43 pancreatic ductal adenocarcinomas, two pancreatic neuroendocrine tumors and one acinar cell carcinoma) were matched as controls. Univariate analysis demonstrated significant differences in the outline and vascularity of tumors on contrast-enhanced CT in the ASC and control groups (P < 0.001 and P < 0.001, respectively). A smooth outline, cystic changes, and the ring-enhancement pattern on contrast-enhanced CT were seen to have significant predictive powers by stepwise forward logistic regression analysis (P = 0.044, P = 0.010, and P = 0.001, respectively). Of the three, the ring-enhancement pattern was the most useful, and its predictive diagnostic sensitivity, specificity, positive predictive value and negative predictive value for diagnosis of ASC were 65.2%, 89.6%, 75.0% and 84.3%, respectively. These results demonstrate that presence of the ring-enhancement pattern on contrast-enhanced CT is the most useful predictive factor for ASC. Copyright © 2014 IAP and EPC. Published by Elsevier B.V. All rights reserved.

  14. Novel 16-substituted bifunctional derivatives of huperzine B: multifunctional cholinesterase inhibitors

    PubMed Central

    Shi, Yu-fang; Zhang, Hai-yan; Wang, Wei; Fu, Yan; Xia, Yu; Tang, Xi-can; Bai, Dong-lu; He, Xu-chang

    2009-01-01

    Aim: To design novel bifunctional derivatives of huperzine B (HupB) based on the concept of dual binding site of acetylcholinesterase (AChE) and evaluate their pharmacological activities for seeking new drug candidates against Alzheimer's disease (AD). Methods: Novel 16-substituted bifunctional derivatives of HupB were synthesized through chemical reactions. The inhibitory activities of the derivatives toward AChE and butyrylcholinesterase (BuChE) were determined in vitro by modified Ellman's method. Cell viability was quantified by the reduction of MTT. Results: A new preparative method was developed for the generation of 16-substituted derivatives of HupB, and pharmacological trials indicated that the derivatives were multifunctional cholinesterase inhibitors targeting both AChE and BuChE. Among the derivatives tested, 9c, 9e, 9f, and 9i were 480 to 1360 times more potent as AChE inhibitors and 370 to 1560 times more potent as BuChE inhibitors than the parent HupB. Further preliminary pharmacological trials of derivatives 9c and 9i were performed, including examining the mechanism of AChE inhibition, the substrate kinetics of the enzyme inhibition, and protection against hydrogen peroxide (H2O2)-induced cytotoxicity in PC12 cells. Conclusion: Preliminary pharmacological evaluation indicated that 16-substituted derivatives of HupB, particularly 9c and 9i, would be potentially valuable new drug candidates for AD therapy, and further exploration is needed to evaluate their pharmacological and clinical efficacies. PMID:19578388

  15. 8- to 13-μm Spectra of Saturn's A and B Rings

    NASA Astrophysics Data System (ADS)

    Lynch, David K.; Mazuk, Ann L.; Russell, Ray W.; Hackwell, John A.; Hanner, Martha S.

    2000-07-01

    Thermal IR spectroscopy of Saturn's A and B rings in the 8- to 13-μm range reveals a smooth, Planck-like continuum with no spectral structure that could be attributed to optically thin water ice or silicate dust. The brightness temperatures of the A and B rings obtained by fitting a Planck function to the spectra were 90.3±0.9 and 90.5±0.6 K, respectively, in good agreement with and extending earlier photometric measurements.

  16. Characterization of heterocyclic rings through quantum chemical topology.

    PubMed

    Griffiths, Mark Z; Popelier, Paul L A

    2013-07-22

    Five-membered rings are found in a myriad of molecules important in a wide range of areas such as catalysis, nutrition, and drug and agrochemical design. Systematic insight into their largely unexplored chemical space benefits from first principle calculations presented here. This study comprehensively investigates a grand total of 764 different rings, all geometry optimized at the B3LYP/6-311+G(2d,p) level, from the perspective of Quantum Chemical Topology (QCT). For the first time, a 3D space of local topological properties was introduced, in order to characterize rings compactly. This space is called RCP space, after the so-called ring critical point. This space is analogous to BCP space, named after the bond critical point, which compactly and successfully characterizes a chemical bond. The relative positions of the rings in RCP space are determined by the nature of the ring scaffold, such as the heteroatoms within the ring or the number of π-bonds. The summed atomic QCT charges of the five ring atoms revealed five features (number and type of heteroatom, number of π-bonds, substituent and substitution site) that dictate a ring's net charge. Each feature independently contributes toward a ring's net charge. Each substituent has its own distinct and systematic effect on the ring's net charge, irrespective of the ring scaffold. Therefore, this work proves the possibility of designing a ring with specific properties by fine-tuning it through manipulation of these five features.

  17. Radial patterns of tree-ring chemical element concentration in two Appalachian hardwood stands

    Treesearch

    D.R. Dewalle; B.R. Swistock; W.E. Sharpe

    1991-01-01

    Radial patterns in tree-ring chemical element concentration in red oak (Quercus rubra L.) and black (Prunus serotina Ehrh.) were analyzed to infer past environmental changes at two mature Appalachian forest sites.

  18. Fabrication of hexagonal star-shaped and ring-shaped patterns arrays by Mie resonance sphere-lens-lithography

    NASA Astrophysics Data System (ADS)

    Liu, Xianchao; Wang, Jun; Li, Ling; Gou, Jun; Zheng, Jie; Huang, Zehua; Pan, Rui

    2018-05-01

    Mie resonance sphere-lens-lithography has proved to be a good candidate for fabrication of large-area tunable surface nanopattern arrays. Different patterns on photoresist surface are obtained theoretically by adjusting optical coupling among neighboring spheres with different gap sizes. The effect of light reflection from the substrate on the pattern produced on the photoresist with a thin thickness is also discussed. Sub-micron hexagonal star-shaped and ring-shaped patterns arrays are achieved with close-packed spheres arrays and spheres arrays with big gaps, respectively. Changing of star-shaped vertices is induced by different polarization of illumination. Experimental results agree well with the simulation. By using smaller resonance spheres, sub-400 nm star-shaped and ring-shaped patterns can be realized. These tunable patterns are different from results of previous reports and have enriched pattern morphology fabricated by sphere-lens-lithography, which can find application in biosensor and optic devices.

  19. Saturn's Rings and Associated Ring Plasma Cavity: Evidence for Slow Ring Erosion

    NASA Technical Reports Server (NTRS)

    Farrell, W. M.; Kurth, W. S.; Gurnett, D. A.; Persoon, A. M.; MacDowall, R. J.

    2017-01-01

    We re-examine the radio and plasma wave observations obtained during the Cassini Saturn orbit insertion period, as the spacecraft flew over the northern ring surface into a radial distance of 1.3 Rs (over the C-ring). Voyager era studies suggest the rings are a source of micro-meteoroid generated plasma and dust, with theorized peak impact-created plasma outflows over the densest portion of the rings (central B-ring). In sharp contrast, the Cassini Radio and Plasma Wave System (RPWS) observations identify the presence of a ring-plasma cavity located in the central portion of the B-ring, with little evidence of impact-related plasma. While previous Voyager era studies have predicted unstable ion orbits over the C- ring, leading to field-aligned plasma transport to Saturns ionosphere, the Cassini RPWS observations do not reveal evidence for such instability-created plasma fountains. Given the passive ring loss processes observed by Cassini, we find that the ring lifetimes should extend >10(exp 9) years, and that there is limited evidence for prompt destruction (loss in <100 Myrs).

  20. Saturn's rings and associated ring plasma cavity: Evidence for slow ring erosion

    NASA Astrophysics Data System (ADS)

    Farrell, W. M.; Kurth, W. S.; Gurnett, D. A.; Persoon, A. M.; MacDowall, R. J.

    2017-08-01

    We re-examine the radio and plasma wave observations obtained during the Cassini Saturn orbit insertion period, as the spacecraft flew over the northern ring surface into a radial distance of 1.3 Rs (over the C-ring). Voyager era studies suggest the rings are a source of micro-meteoroid generated plasma and dust, with theorized peak impact-created plasma outflows over the densest portion of the rings (central B-ring). In sharp contrast, the Cassini Radio and Plasma Wave System (RPWS) observations identify the presence of a ring-plasma cavity located in the central portion of the B-ring, with little evidence of impact-related plasma. While previous Voyager era studies have predicted unstable ion orbits over the C-ring, leading to field-aligned plasma transport to Saturn's ionosphere, the Cassini RPWS observations do not reveal evidence for such instability-created plasma 'fountains'. Given the passive ring loss processes observed by Cassini, we find that the ring lifetimes should extend >109 years, and that there is limited evidence for prompt destruction (loss in <100 Myrs).

  1. Discovery of a remarkable subpulse drift pattern in PSR B0818-41

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, B.; Gupta, Y.; Gil, J.; Sendyk, M.

    2007-05-01

    We report the discovery of a remarkable subpulse drift pattern in the relatively less-studied wide profile pulsar B0818-41 using high-sensitivity Giant Metrewave Radio Telescope (GMRT) observations. We find simultaneous occurrences of three drift regions with two different drift rates: an inner region with steeper apparent drift rate flanked on each side by a region of slower apparent drift rate. Furthermore, these closely spaced drift bands always maintain a constant phase relationship. Though these drift regions have significantly different values for the measured P2, the measured P3 value is the same and equal to 18.3P1. We interpret the unique drift pattern of this pulsar as being created by the intersection of our line of sight (LOS) with two conal rings on the polar cap of a fairly aligned rotator (inclination angle α ~ 11°), with an `inner' LOS geometry (impact angle ). We argue that both rings have the same values for the carousel rotation periodicity P4 and the number of sparks Nsp. We find that Nsp is 19-21 and show that it is very likely that P4 is the same as the measured P3, making it a truly unique pulsar. We present results from simulations of the radiation pattern using the inferred parameters, which support our interpretations and reproduce the average profile as well as the observed features in the drift pattern quite well.

  2. The anatomical relationships between the avian eye, orbit and sclerotic ring: implications for inferring activity patterns in extinct birds

    PubMed Central

    Hall, Margaret I

    2008-01-01

    Activity pattern, or the time of day when an animal is awake and active, is highly associated with that animal's ecology. There are two principal activity patterns: diurnal, or awake during the day in a photopic, or high light level, environment; and nocturnal, awake at night in scotopic, or low light level, conditions. Nocturnal and diurnal birds exhibit characteristic eye shapes associated with their activity pattern, with nocturnal bird eyes optimized for visual sensitivity with large corneal diameters relative to their eye axial lengths, and diurnal birds optimized for visual acuity, with larger axial lengths of the eye relative to their corneal diameters. The current study had three aims: (1) to quantify the nature of the relationship between the avian eye and its associated bony anatomy, the orbit and the sclerotic ring; (2) to investigate how activity pattern is reflected in that bony anatomy; and (3) to identify how much bony anatomy is required to interpret activity pattern reliably for a bird that does not have the soft tissue available for study, specifically, for a fossil. Knowledge of extinct avian activity patterns would be useful in making palaeoecological interpretations. Here eye, orbit and sclerotic ring morphologies of 140 nocturnal and diurnal bird species are analysed in a phylogenetic context. Although there is a close relationship between the avian eye and orbit, activity pattern can only be reliably interpreted for bony-only specimens, such as a fossil, that include both measurements of the sclerotic ring and orbit depth. Any missing data render the fossil analysis inaccurate, including fossil specimens that are flat and therefore do not have an orbit depth available. For example, activity pattern cannot be determined with confidence for Archaeopteryx lithographica, which has a complete sclerotic ring but no orbit depth measurement. Many of the bird fossils currently available that retain a good sclerotic ring tend to be flat specimens

  3. B2O3/SiO2 substitution effect on structure and properties of Na2O-CaO-SrO-P2O5-SiO2 bioactive glasses from molecular dynamics simulations.

    PubMed

    Ren, Mengguo; Lu, Xiaonan; Deng, Lu; Kuo, Po-Hsuen; Du, Jincheng

    2018-05-23

    The effect of B2O3/SiO2 substitution in SrO-containing 55S4.3 bioactive glasses on glass structure and properties, such as ionic diffusion and glass transition temperature, was investigated by combining experiments and molecular dynamics simulations with newly developed potentials. Both short-range (such as bond length and bond angle) and medium-range (such as polyhedral connection and ring size distribution) structures were determined as a function of glass composition. The simulation results were used to explain the experimental results for glass properties such as glass transition temperature and bioactivity. The fraction of bridging oxygen increased linearly with increasing B2O3 content, resulting in an increase in overall glass network connectivity. Ion diffusion behavior was found to be sensitive to changes in glass composition and the trend of the change with the level of substitution is also temperature dependent. The differential scanning calorimetry (DSC) results show a decrease in glass transition temperature (Tg) with increasing B2O3 content. This is explained by the increase in ion diffusion coefficient and decrease in ion diffusion energy barrier in glass melts, as suggested by high-temperature range (above Tg) ion diffusion calculations as B2O3/SiO2 substitution increases. In the low-temperature range (below Tg), the Ea for modifier ions increased with B2O3/SiO2 substitution, which can be explained by the increase in glass network connectivity. Vibrational density of states (VDOS) were calculated and show spectral feature changes as a result of the substitution. The change in bioactivity with B2O3/SiO2 substitution is discussed with the change in pH value and release of boric acid into the solution.

  4. Saturn's Rings, the Yarkovsky Effects, and the Ring of Fire

    NASA Technical Reports Server (NTRS)

    Rubincam, David

    2004-01-01

    Saturn's icy ring particles, with their low thermal conductivity, are almost ideal for the operation of the Yarkovsky effects. The dimensions of Saturn's A and B rings may be determined by a near balancing of the seasonal Yarkovsky effect with the Yarkovsky- Schach effect. The two effects, which are photon thrust due to temperature gradients, may confine the A and B rings to within their observed dimensions. The C ring may be sparsely populated with icy particles because Yarkovsky drag has pulled them into Saturn, leaving the more slowly orbitally decaying rocky particles. Icy ring particles ejected from the B ring and passing through the C ring, as well as some of the slower rocky particles, should fall on Saturn's equator, where they may create a luminous "Ring of Fire" around Saturn's equator. This predicted Ring of Fire may be visible to Cassini's camera. Curiously, the speed of outwards Yarkovsky orbital evolution appears to peak near the Cassini Division. The connection between the two is not clear. D. Nesvorny has speculated that the resonance at the outer edge of the B ring may impede particles from evolving via Yarkovsky across the Division. If supply from the B ring is largely cut off, then Yarkovsky may push icy particles outward, away from the inner edge of the A ring, leaving only the rocky ones in the Division. The above scenarios depend delicately on the properties of the icy particles.

  5. Enumerating Substituted Benzene Isomers of Tree-Like Chemical Graphs.

    PubMed

    Li, Jinghui; Nagamochi, Hiroshi; Akutsu, Tatsuya

    2018-01-01

    Enumeration of chemical structures is useful for drug design, which is one of the main targets of computational biology and bioinformatics. A chemical graph with no other cycles than benzene rings is called tree-like, and becomes a tree possibly with multiple edges if we contract each benzene ring into a single virtual atom of valence 6. All tree-like chemical graphs with a given tree representation are called the substituted benzene isomers of . When we replace each virtual atom in with a benzene ring to obtain a substituted benzene isomer, distinct isomers of are caused by the difference in arrangements of atom groups around a benzene ring. In this paper, we propose an efficient algorithm that enumerates all substituted benzene isomers of a given tree representation . Our algorithm first counts the number of all the isomers of the tree representation by a dynamic programming method. To enumerate all the isomers, for each , our algorithm then generates the th isomer by backtracking the counting phase of the dynamic programming. We also implemented our algorithm for computational experiments.

  6. Design, synthesis and inhibitory activities of 8-(substituted styrol-formamido)phenyl-xanthine derivatives on monoamine oxidase B.

    PubMed

    Hu, Suwen; Nian, Siyun; Qin, Kuiyou; Xiao, Tong; Li, Lingna; Qi, Xiaolu; Ye, Faqing; Liang, Guang; Hu, Guoxin; He, Jincai; Yu, Yinfei; Song, Bo

    2012-01-01

    The design and synthesis of two series of 8-(substituted styrol-formamido)phenyl-xanthine derivatives are described. Their in vitro monoamine oxidase B (MAO-B) inhibition were tested and the effect of substituents on the N-7, phenyl and the substituted positions are discussed. It was observed that compound 9b displayed significant MAO-B inhibition activity and selectivity, fluorine substitution plays a key role in the selectivity of MAO-B inhibition, and the styrol-formamido group at position-3' may enhance the activity and selectivity of 8-phenyl-xanthine analogues. These results suggest that such compounds may be utilized for the development of new candidate MAO-B inhibitors for treatment of Parkinson's disease.

  7. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02

    DOE PAGES

    Sun, Hui; Lu, Xu; Morelli, Donald T.

    2016-07-21

    Boron-added CoSi, CoSi 0.98B 0.02, possesses a very high thermoelectric power factor of 60 μW cm -1 K -2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms are intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi 0.98B 0.02 has been studied. Here we present a study of themore » substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands while Ge substitution only shifts the Fermi level upward into the conduction band. Lastly, our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.« less

  8. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sun, Hui; Lu, Xu; Morelli, Donald T.

    Boron-added CoSi, CoSi 0.98B 0.02, possesses a very high thermoelectric power factor of 60 μW cm -1 K -2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms are intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi 0.98B 0.02 has been studied. Here we present a study of themore » substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands while Ge substitution only shifts the Fermi level upward into the conduction band. Lastly, our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.« less

  9. Patterns of Storage, Synthesis and Changing Light Levels Revealed by Carbon Isotope Microsampling within Eocene Metasequoia Tree Rings

    NASA Astrophysics Data System (ADS)

    Jahren, H.; Sternberg, L.

    2005-12-01

    Fossil tree rings from Axel Heiberg Island were microanalyzed for δ13C value in order to assess patterns of tree growth and carbon storage within the Middle Eocene (~45 Ma) Arctic paleoenvironment. Wood from four Metasequoia-type individuals was subsampled for analysis: each individual fossil consisted of between 4 and 10 large (~1 cm thick) consecutive tree rings. One of the fossils displayed an obvious concentric pattern, allowing for the determination of the direction of growth with isotopic pattern. Each ring was divided into ~1 mm thick subsamples, resulting in 5-10 δ13C value determinations per period of ring growth (i.e., growing season). All rings revealed a distinct pattern that was characteristic across growing seasons and across individual fossils. Early in the season, δ13C was at its highest value but descended systematically and sharply to its lowest value at the end of the growing season. Total decrease ranged between 3 and 5 ‰ over the course of each growing season. Identical patterns were observed in the δ13C value of alpha-cellulose isolated from each subsample, indicating that the trends observed did not represent changing levels of secondary metabolites, but rather a seasonal adjustment in the bulk source of carbon used during biosynthesis. Our results are consistent with the following annual pattern of wood synthesis 1.) complete dependence on the mobilization of stored carbon compounds early in the growing season; 2.) systematically increasing use of actively-acquired photosynthate during the growing season; 3.) complete reliance on active photosynthate by the end of the growing season. An additional and significant source of 13C discrimination is declining light levels late in the growing season, and likely contributes to the extreme pattern of δ13C decrease seen across each ring. Our results mimic those seen from modern broadleaf deciduous trees (Helle & Schlesser 2004), but differ from those seen in modern conifers (Barbour et al 2002

  10. Identification of Saturn-driven bending waves in Saturn's inner C ring

    NASA Astrophysics Data System (ADS)

    French, Richard; Colwell, Joshua; Nicholson, Phillip; Marouf, Essam; McGhee-French, Colleen; Hedman, Matthew

    2016-07-01

    Saturn's C ring is host to more than a dozen wavelike features whose detailed nature has been a mystery since their discovery in high-resolution Voyager radio occultations of the rings. Rosen et al. (1991 Icarus 93, 25) enumerated several of these, and the list was augmented by Baillié et al. (2011 Icarus 216, 292), based on a detailed analysis of Cassini UVIS stellar occultation profiles. Recently, Hedman and Nicholson (2013 Astron. J. 146, 12; 2014 MNRAS 444, 1369) were able to identify the wavenumbers and pattern speeds for several of the waves. They showed that several Outer Lindblad Resonances (OLR) density waves had properties that were in general quite consistent with the predictions of Marley and Porco (1993 Icarus, 106, 508) and Marley (2014 Icarus, 234, 194) that Saturn's acoustic oscillations had pattern speeds with corresponding resonance radii in the C ring. Hedman and Nicholson also identified a set of Inner Lindblad Resonance density waves with pattern speeds very close to Saturn's rotation period. Finally, French et al. (2016 Icarus, in press) identified an inward-propagating m=2 wave in the Maxwell Ringlet. These new identifications ushered in the field of Kronoseismology -- the probing of the nature of Saturn's interior from the analysis of Saturn-driven waves in the rings. Here, we report the identification of six additional wave features, all in the inner C ring, from Cassini occultation measurements. Two of the waves are OLRs: Baillié feature #5 (B1 = W76.022 (i.e., r=76022 km)) with wavenumber m=-9, and Baillié #9 (B9 = W76.435) with m=-2. The first of these is presumably Saturn-driven, but of unknown origin; W76.435 fits very nicely in the pattern predicted by Marley (2014) for an m=l-2, q=2 internal oscillation. We also report the identification of a new class of Saturn-driven waves: B1 (W74.666), B3 (W74.936), B4 (W74.941), and B6 (W76.234) are all bending waves at Outer Vertical Resonances (OVR) with wavenumbers between m=-4 and m=-9

  11. Sizes of the Smallest Particles at the Outer B Ring Edge, Huygens Ringlet, and Strange Ringlet

    NASA Astrophysics Data System (ADS)

    Eckert, Stephanie; Colwell, Josh E.; Becker, Tracy M.; Esposito, Larry W.

    2016-10-01

    The Cassini Ultraviolet Imaging Spectrograph (UVIS)'s High Speed Photometer (HSP) has observed stellar occultations of Saturn's rings that reveal ring structure at high resolution. We observe diffraction spikes at the sharp edges of some rings and ringlets where the observed signal exceeds the unocculted star signal, indicating that small particles are diffracting light into the detector. Becker et al. (2015 Icarus doi:10.1016/j.icarus.2015.11.001) analyzed data at the A ring edge and edges of the Encke gap. The smallest particle sizes were a few mm. We use the same technique to analyze the diffraction signal at the outer edge of the B ring and the edges of the so-called Strange ringlet near the outer edge of the Huygens Gap. While we see diffraction from sub-cm particles in the Strange Ringlet, detections from the wider Huygens Ringlet which resides in between the Strange Ringlet and the outer edge of the B ring are weaker and narrower, indicating a cutoff of the size distribution above 1 cm. At the outer edge of the B ring we find strong diffraction signals in 7 of 19 occultations for which the signal and geometry make the detection possible. The typical value of the smallest particle size (amin) is 4 mm and the derived slope of the power-law size distribution (q) is 2.9. The average amin is similar to the 4.5 mm average observed at the A ring outer edge while the q value is lower than the A ring outer edge value of 3.2. In the Strange Ringlet we find strong diffraction signals in 2 of 19 possible occultations for the outer edge and 1 of 17 possible occultations for the inner edge. The smallest particle size is ~5 mm and the derived slope of the power-law size distribution is 3.3. These values are similar to the average values at the A ring outer edge. The absence of a broad diffraction signal at the Huygens Ringlet suggests a different size distribution for that ring than for the Strange Ringlet and the outer several km of the B ring or perhaps less vigorous

  12. Using Hyperfine Structure to Quantify the Effects of Substitution on the Electron Distribution Within a Pyridine Ring: a Study of 2-, 3-, and 4-PICOLYLAMINE

    NASA Astrophysics Data System (ADS)

    McDivitt, Lindsey M.; Himes, Korrina M.; Bailey, Josiah R.; McMahon, Timothy J.; Bird, Ryan G.

    2017-06-01

    The ground state rotational spectra of the three methylamine substituted pyridines, 2-, 3-, and 4-picolylamine, were collected and analyzed over the frequency range of 7-17.5 GHz using chirped-pulsed Fourier transform microwave spectroscopy. All three molecules show a distinctive quadrupole splitting, which is representative of the local electronic environment around the two different ^{14}N nuclei, with the pyridine nitrogen being particularly sensitive to the pi-electron distribution within the ring. The role that the position of the methylamine group plays on the quadrupole coupling constants on both nitrogens will be discussed and compared to other substituted pyridines.

  13. Synthesis of Substituted 2,3,5,6-tetraarylbenzo(1,2-b:5,4-b')difurans

    NASA Technical Reports Server (NTRS)

    Abdul-Aziz, Mahmoud; Auping, Judith V.; Meador, Michael A.

    1995-01-01

    A series of substituted 2,3,5,6-tetraarylbenzo(l,2-b:5,4-b')difurans 1 was synthesized. This synthesis is based upon the photocyclization of 2,5-dibenzoylresorcinol dibenzyl ethers to the corresponding tetrahydrobenzo(1,2-b:5,4-b')difurans. Treatment of the photoproducts with methanesulfonyl chloride in pyridine afforded 1 in overall yields ranging from 30-72%. A number of these compounds have high fluorescence quantum yields (of phi(sub f) = 0.76-0.90), and their fluorescence spectra exhibit large solvatochromic shifts. These compounds may be suitable for use as fluorescent probes.

  14. A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring

    NASA Astrophysics Data System (ADS)

    Tarnowska, Monika; Liwo, Adam; Shenderovich, Mark D.; Liepiņa, Inta; Golbraikh, Alexander A.; Grzonka, Zbigniew; Tempczyk, Anna

    1993-12-01

    The effect of the substitution in position 1 on the low-energy conformations of the oxytocin/vasopressin 20-membered ring was investigated by means of molecular mechanics. Three representative substitutions were considered: β'-mercapto-β,β-dimethyl)propionic acid (Dmp), (β'-mercapto-β,β-cyclopentamethylene)propionic acid (Cpp), both forming strong antagonists, and (α,α-dimethyl-β-mercapto)propionic acid (α-Dmp), forming analogs of strongly reduced biological activity, with the β-mercaptopropionic (Mpa) residue taken as reference. Both ECEPP/2 (rigid valence geometry) and AMBER (flexible valence geometry) force fields were employed in the calculations. Three basic types of backbone conformations were taken into account which are distinguished by the type of β-turn at residues 3 and 4: β1/βIII, βII, and βI'/βIII', all types containing one or two intra-annular hydrogen bonds. The allowed (ring-closed) disulfide-bridge conformations were searched by an algorithm formulated in terms of scanning the disulfide-bridge torsional angle Cβ-S-S-Cβ. The ECEPP/2 and AMBER energies of the obtained conformations were found to be in reasonable agreement. Two of the low-energy conformers of the [Mpa1]-compound agreed very well with the cyclic part of the two conformers found in the crystal structure of [Mpa1]-oxytocin. An analysis of the effect of β-substitution on relative energies showed that the conformations with the N-C'-CH2-CH2 (ψ'1) and C'-CH2-CH2-S (ϰ'1) angles of the first residue around (-100°, 60°) and (100°, -60°) are not affected; this in most cases implies a left-handed disulfide bridge. In the case of α-substitution the allowed values of ψ'1 are close to ± 60°. This requirement, being in contradiction to the one concerning β-substitution, could explain the very low biological activity of the α-substituted analogs. The conformational preferences of substituted compounds can largely be explained by the analysis of local interactions

  15. Intrinsically disordered chromatin protein NUPR1 binds to the C-terminal region of Polycomb RING1B

    PubMed Central

    Santofimia-Castaño, Patricia; Rizzuti, Bruno; Pey, Ángel L.; Soubeyran, Philippe; Vidal, Miguel; Urrutia, Raúl; Iovanna, Juan L.; Neira, José L.

    2017-01-01

    Intrinsically disordered proteins (IDPs) are ubiquitous in eukaryotes, and they are often associated with diseases in humans. The protein NUPR1 is a multifunctional IDP involved in chromatin remodeling and in the development and progression of pancreatic cancer; however, the details of such functions are unknown. Polycomb proteins are involved in specific transcriptional cascades and gene silencing. One of the proteins of the Polycomb complex is the Ring finger protein 1 (RING1). RING1 is related to aggressive tumor features in multiple cancer types. In this work we characterized the interaction between NUPR1 and the paralogue RING1B in vitro, in silico, and in cellulo. The interaction occurred through the C-terminal region of RING1B (C-RING1B), with an affinity in the low micromolar range (∼10 μM). The binding region of NUPR1, mapped by NMR, was a hydrophobic polypeptide patch at the 30s region of its sequence, as pinpointed by computational results and site-directed mutagenesis at Ala33. The association between C-RING1B and wild-type NUPR1 also occurred in cellulo as tested by protein ligation assays; this interaction is inhibited by trifluoperazine, a drug known to hamper binding of wild-type NUPR1 with other proteins. Furthermore, the Thr68Gln and Ala33Gln/Thr68Gln mutants had a reduction in the binding toward C-RING1B as shown by in vitro, in silico, and in cellulo studies. This is an example of a well-folded partner of NUPR1, because its other interacting proteins are also unfolded. We hypothesize that NUPR1 plays an active role in chromatin remodeling and carcinogenesis, together with Polycomb proteins. PMID:28720707

  16. [Urogenital injuries accompanying pelvic ring fractures].

    PubMed

    Tauber, M; Joos, H; Karpik, S; Lederer, S; Resch, H

    2007-02-01

    Follow-up of patients with pelvic ring fractures and associated injuries of the lower urogenital tract was performed from January 2000 to October 2004. Analysis focused on incidence, fracture type, type of urogenital injury, associated intrapelvic lesions, mortality, and urologic outcome. The retrospective study included 18 of 111 patients (16.2%). Nine patients had a rupture of the urethra, six a rupture of the bladder, three a rupture of the penile root, and two a gonadal defect. The type of the pelvic ring fracture according to the AO classification was type A in 1, type B in 6, and type C in 11 cases. Fifteen patients (83.3%) were followed up clinically for a mean duration of 26 months (range: 12-66 months) after trauma. Seven patients were asymptomatic concerning the urogenital injury, five had erectile dysfunction, two had urethral stenosis, in one case associated with incontinence, and one patient with bilateral defect of the testicles was under hormone substitution therapy. Urogenital injuries, often associated with intrapelvic lesions in so-called complex pelvic trauma, are typical for high-grade pelvic ring fractures and have an essential prognostic value for the patient's morbidity and quality of life.

  17. A Perikinetochoric Ring Defined by MCAK and Aurora-B as a Novel Centromere Domain

    PubMed Central

    Parra, María Teresa; Gómez, Rocío; Viera, Alberto; Page, Jesús; Calvente, Adela; Wordeman, Linda; Rufas, Julio S; Suja, José A

    2006-01-01

    Mitotic Centromere-Associated Kinesin (MCAK) is a member of the kinesin-13 subfamily of kinesin-related proteins. In mitosis, this microtubule-depolymerising kinesin seems to be implicated in chromosome segregation and in the correction of improper kinetochore-microtubule interactions, and its activity is regulated by the Aurora-B kinase. However, there are no published data on its behaviour and function during mammalian meiosis. We have analysed by immunofluorescence in squashed mouse spermatocytes, the distribution and possible function of MCAK, together with Aurora-B, during both meiotic divisions. Our results demonstrate that MCAK and Aurora-B colocalise at the inner domain of metaphase I centromeres. Thus, MCAK shows a “cone”-like three-dimensional distribution beneath and surrounding the closely associated sister kinetochores. During the second meiotic division, MCAK and Aurora-B also colocalise at the inner centromere domain as a band that joins sister kinetochores, but only during prometaphase II in unattached chromosomes. During chromosome congression to the metaphase II plate, MCAK relocalises and appears as a ring below each sister kinetochore. Aurora-B also relocalises to appear as a ring surrounding and beneath kinetochores but during late metaphase II. Our results demonstrate that the redistribution of MCAK at prometaphase II/metaphase II centromeres depends on tension across the centromere and/or on the interaction of microtubules with kinetochores. We propose that the perikinetochoric rings of MCAK and Aurora-B define a novel transient centromere domain at least in mouse chromosomes during meiosis. We discuss the possible functions of MCAK at the inner centromere domain and at the perikinetochoric ring during both meiotic divisions. PMID:16741559

  18. Synoptic-scale circulation patterns during summer derived from tree rings in mid-latitude Asia

    NASA Astrophysics Data System (ADS)

    Seim, Andrea; Schultz, Johannes A.; Leland, Caroline; Davi, Nicole; Byambasuren, Oyunsanaa; Liang, Eryuan; Wang, Xiaochun; Beck, Christoph; Linderholm, Hans W.; Pederson, Neil

    2017-09-01

    Understanding past and recent climate and atmospheric circulation variability is vital for regions that are affected by climate extremes. In mid-latitude Asia, however, the synoptic climatology is complex and not yet fully understood. The aim of this study was to investigate dominant synoptic-scale circulation patterns during the summer season using a multi-species tree-ring width (TRW) network comprising 78 sites from mid-latitude Asia. For each TRW chronology, we calculated an atmospheric circulation tree-ring index (ACTI), based on 1000 hPa geopotential height data, to directly link tree growth to 13 summertime weather types and their associated local climate conditions for the period 1871-1993. Using the ACTI, three groups of similarly responding tree-ring sites can be associated with distinct large-scale atmospheric circulation patterns: 1. growth of drought sensitive trees is positively affected by a cyclone over northern Russia; 2. temperature sensitive trees show positive associations to a cyclone over northwestern Russia and an anticyclone over Mongolia; 3. trees at two high elevation sites show positive relations to a zonal cyclone extending from mid-latitude Eurasia to the West Pacific. The identified synoptic-scale circulation patterns showed spatiotemporal variability in their intensity and position, causing temporally varying climate conditions in mid-latitude Asia. Our results highlight that for regions with less pronounced atmospheric action centers during summer such as the occurrence of large-scale cyclones and anticyclones, synoptic-scale circulation patterns can be extracted and linked to the Northern Hemisphere circulation system. Thus, we provide a new and solid envelope for climate studies covering the past to the future.

  19. Variation in the pattern of omissions and substitutions of grammatical morphemes in the spontaneous speech of so-called agrammatic patients.

    PubMed

    Miceli, G; Silveri, M C; Romani, C; Caramazza, A

    1989-04-01

    We describe the patterns of omissions (and substitutions) of freestanding grammatical morphemes and the patterns of substitutions of bound grammatical morphemes in 20 so-called agrammatic patients. Extreme variation was observed in the patterns of omissions and substitutions of grammatical morphemes, both in terms of the distribution of errors for different grammatical morphemes as well as in terms of the distribution of omissions versus substitutions. Results are discussed in the context of current debates concerning the possibility of a theoretically motivated distinction between the clinical categories of agrammatism and paragrammatism and, more generally, concerning the theoretical usefulness of any clinical category. The conclusion is reached that the observed heterogeneity in the production of grammatical morphemes among putatively agrammatic patients renders the clinical category of agrammatism, and by extension all other clinical categories from the classical classification scheme (e.g., Broca's aphasia, Wernicke's aphasia, and so forth) to more recent classificatory attempts (e.g., surface dyslexia, deep dysgraphia, and so forth), theoretically useless.

  20. Nucleophilic ring opening of bridging thietane ligands in trirhenium carbonyl cluster complexes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Adams, R.D.; Cortopassi, J.E.; Falloon, S.B.

    1992-11-01

    The reactions of 3,3-dimethylthietane, SCH{sub 2}CMe{sub 2}CH{sub 2} (3,3-DMT), and thietane, SCH{sub 2}CH{sub 2}CH{sub 2}, with Re{sub 3}(CO){sub 10}[{mu}-SCH{sub 2}CH{sub 2}CH{sub 2}]({mu}-H){sub 3}, 2b. Compound 2a was characterized crystallographically and was found to consist of a trirhenium cluster with three bridging hydride ligands and a bridging thietane ligand coordinated through its sulfur atom. 2a and 2b react with halide ions by ring-opening additions to the 3,3-DMT ligand to yield the complex anions [Re{sub 3}(CO){sub 10}({mu}-SCH{sub 2}CMe{sub 2}CH{sub 2}x)({mu}-h){sub 3}]{sup -} 3A-6A, X = F (71%), Cl(71%), Br(84%), I(87%) and [Re{sub 3}(CO){sub 10}({mu}-SCH{sub 2}CH{sub 2}CH{sub 2}Cl)({mu}-H){sub 3}]{sup -}, 4b (67%). Similarly,more » addition of NMe{sub 3} to 2a and 2b yielded the ring-opened zwitterions Re{sub 3}(CO){sub 10}({mu}-SCH{sub 2}CMe{sub 2}CH{sub 2}NMe{sub 3})({mu}-H){sub 3}, 7 a crystographically. They are zwitterions positively charged at the nitrogen atoms and negatively charged on the trirhenium clusters. Complex 7b was also obtained in a 48% yield from the reaction of Re{sub 3}(C){sub 12}({mu}-H){sub 3} with Me{sub 3}NO in the presence of thietane, but the corresponding reaction using 3,3-DMT yielded only 2a and Re{sub 3}(CO){sub 11}(SCH{sub 2}CMe{sub 2}CH{sub 2})({mu}-H){sub 3}, 8. Attempts to obtain a ring-opening addition to 2a by reaction with PMe{sub 2}Ph yielded only Re{sub 3}(CO){sub 10}(PMe{sub 2}PH){sub 2}({mu}-H){sub 3} by ligand substitution. Attempts to obtain ring opening addition to 8 by reaction with I{sup -} yielded only [Re{sub 3}(CO){sub 11}I({mu}-H){sub 3}]{sup -} by ligand substitution. 20 refs., 3 figs., 10 tabs.« less

  1. Oxidation of Naphthenoaromatic and Methyl-Substituted Aromatic Compounds by Naphthalene 1,2-Dioxygenase

    PubMed Central

    Selifonov, S. A.; Grifoll, M.; Eaton, R. W.; Chapman, P. J.

    1996-01-01

    Oxidation of acenaphthene, acenaphthylene, and fluorene was examined with recombinant strain Pseudomonas aeruginosa PAO1(pRE695) expressing naphthalene dioxygenase genes cloned from plasmid NAH7. Acenaphthene underwent monooxygenation to 1-acenaphthenol with subsequent conversion to 1-acenaphthenone and cis- and trans-acenaphthene-1,2-diols, while acenaphthylene was dioxygenated to give cis-acenaphthene-1,2-diol. Nonspecific dehydrogenase activities present in the host strain led to the conversion of both of the acenaphthene-1,2-diols to 1,2-acenaphthoquinone. The latter was oxidized spontaneously to naphthalene-1,8-dicarboxylic acid. No aromatic ring dioxygenation products were detected from acenaphthene and acenaphthylene. Mixed monooxygenase and dioxygenase actions of naphthalene dioxygenase on fluorene yielded products of benzylic 9-monooxygenation, aromatic ring dioxygenation, or both. The action of naphthalene dioxygenase on a variety of methyl-substituted aromatic compounds, including 1,2,4-trimethylbenzene and isomers of dimethylnaphthalene, resulted in the formation of benzylic alcohols, i.e., methyl group monooxygenation products, which were subsequently converted to the corresponding carboxylic acids by dehydrogenase(s) in the host strain. Benzylic monooxygenation of methyl groups was strongly predominant over aromatic ring dioxygenation and essentially nonspecific with respect to the substitution pattern of the aromatic substrates. In addition to monooxygenating benzylic methyl and methylene groups, naphthalene dioxygenase behaved as a sulfoxygenase, catalyzing monooxygenation of the sulfur heteroatom of 3-methylbenzothiophene. PMID:16535238

  2. Identification of Substituted Pyrimido[5,4-b]indoles as Selective Toll-Like Receptor 4 Ligands

    PubMed Central

    2013-01-01

    A cell-based high-throughput screen to identify small molecular weight stimulators of the innate immune system revealed substituted pyrimido[5,4-b]indoles as potent NFκB activators. The most potent hit compound selectively stimulated Toll-like receptor 4 (TLR4) in human and mouse cells. Synthetic modifications of the pyrimido[5,4-b]indole scaffold at the carboxamide, N-3, and N-5 positions revealed differential TLR4 dependent production of NFκB and type I interferon associated cytokines, IL-6 and interferon γ-induced protein 10 (IP-10) respectively. Specifically, a subset of compounds bearing phenyl and substituted phenyl carboxamides induced lower IL-6 release while maintaining higher IP-10 production, skewing toward the type I interferon pathway. Substitution at N-5 with short alkyl substituents reduced the cytotoxicity of the leading hit compound. Computational studies supported that active compounds appeared to bind primarily to MD-2 in the TLR4/MD-2 complex. These small molecules, which stimulate innate immune cells with minimal toxicity, could potentially be used as adjuvants or immune modulators. PMID:23656327

  3. Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.

    PubMed

    Praveen, Aletti S; Yathirajan, Hemmige S; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C; Betz, Richard; Glidewell, Christopher

    2014-09-01

    Four imidazo[2,1-b][1,3,4]thiadiazoles containing a simply-substituted 6-aryl group have been synthesized by reaction of 2-amino-1,3,4-thiadiazoles with bromoacetylarenes using microwave irradiation and brief reaction times. 6-(2-Chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole, C(10)H(6)ClN(3)S, (I), 6-(2-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole, C(11)H(8)ClN(3)S, (II), 6-(3,4-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole, C(10)H(5)Cl(2)N(3)S, (III), and 6-(4-fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole, C(12)H(10)FN(3)OS, (IV), crystallize with Z' values of 2, 1, 1 and 2 respectively. The molecular skeletons are all nearly planar and the dihedral angles between the imidazole and aryl rings are 1.51 (8) and 7.28 (8)° in (I), 9.65 (7)° in (II), 10.44 (8)° in (III), and 1.05 (8) and 7.21 (8)° in (IV). The molecules in (I) are linked by three independent C-H...N hydrogen bonds to form ribbons containing alternating R2(2)(8) and R4(4)(18) rings, and these ribbons are linked into a three-dimensional array by three independent π-stacking interactions. Both (II) and (III) contain centrosymmetric dimers formed by π-stacking interactions but hydrogen bonds are absent, and the molecules of (IV) are linked into centrosymmetric R2(2)(8) dimers by C-H...N hydrogen bonds. Comparisons are made with a number of related compounds.

  4. Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Cuzzi, J. N.

    2014-12-01

    The rings are changing before our eyes; structure varies on all timescales and unexpected things have been discovered. Many questions have been answered, but some answers remain elusive (see Cuzzi et al 2010 for a review). Here we highlight the major ring science progress over the mission to date, and describe new observations planned for Cassini's final three years. Ring Composition and particle sizes: The rings are nearly all water ice with no other ices - so why are they reddish? The C Ring and Cassini Division are "dirtier" than the more massive B and A Rings, as shown by near-IR and, recently, microwave observations. Particle sizes, from stellar and radio occultations, vary from place to place. Ring structure, micro and macro: numerous spiral density waves and ubiquitous "self-gravity wakes" reveal processes which fostered planet formation in the solar system and elsewhere. However, big puzzles remain regarding the main ring divisions, the C Ring plateau structures, and the B Ring irregular structure. Moonlets, inside and out, seen and unseen: Two gaps contain sizeable moonlets, but more gaps seem to contain none; even smaller embedded "propeller" objects wander, systematically or randomly, through the A ring. Rubble pile ringmoons just outside the rings may escaped from the rings, and the recently discovered "Peggy" may be trying this as we watch. Impact bombardment of the rings: Comet fragments set the rings to rippling on century-timescales, and boulders crash through hourly; meanwhile, the constant hail of infalling Kuiper belt material has a lower mass flux than previously thought. Origin and Age of the Rings: The ring mass and bombardment play key roles. The ring mass is well known everywhere but in the B Ring (where most of it is). New models suggest how tidal breakup of evolving moons may have formed massive ancient rings, of which the current ring is just a shadow. During its last three years, the Cassini tour profile will allow entirely new

  5. A DFT+U study of A-site and B-site substitution in BaFeO3-δ.

    PubMed

    Baiyee, Zarah Medina; Chen, Chi; Ciucci, Francesco

    2015-09-28

    BaFeO3-δ (BFO)-based perovskites have emerged as cheap and effective oxygen electrocatalysts for oxygen reduction reaction at high temperatures. The BFO cubic phase facilitates a high oxygen deficiency and is commonly stabilised by partial substitution. Understanding the electronic mechanisms of substitution and oxygen deficiency is key to rational material design, and can be realised through DFT analysis. In this work an in-depth first principle DFT+U study is undertaken to determine site distinctive characteristics for 12.5%, Y, La and Ce substitutions in BFO. In particular, it is shown that B-site doped structures exhibit a lower energy cost for oxygen vacancy formation relative to A site doping and pristine BFO. This is attributed to the stabilisation of holes in the oxygen sub-lattice and increased covalency of the Fe-O bonds of the FeO6 octahedra in B-site-substituted BFO. Charge analysis shows that A-site substitution amounts to donor doping and consequently impedes the accommodation of other donors (i.e. oxygen vacancies). However, A-site substitution may also exhibit a higher electronic conductivity due to less lattice distortion for oxygen deficiency compared to B-site doped structures. Furthermore, analysis of the local structural effects provides physical insight into stoichiometric expansions observed for this material.

  6. Economic aspects of drug substitution

    PubMed Central

    Salehi, Hossein; Schweitzer, Stuart O.

    1985-01-01

    One of the major directions of health policy is the attempt to contain expenditures on pharmaceuticals by encouraging substitution of generic for brand name drug products. Yet, a major marketing survey of prescribing and dispensing patterns in California in 1977 found relatively little drug substitution occurring, and in fact substitution of more expensive products occurred more frequently than did substitution of less expensive products. This article tests alternative models of pharmacy dispensing behavior to better explain substitution patterns and it estimates price functions to measure the extent to which cost savings on generic products are passed on to consumers. PMID:10311162

  7. Evolution of Xylan Substitution Patterns in Gymnosperms and Angiosperms: Implications for Xylan Interaction with Cellulose1[CC-BY

    PubMed Central

    Li, An; Gomes, Thiago C.F.

    2016-01-01

    The interaction between cellulose and xylan is important for the load-bearing secondary cell wall of flowering plants. Based on the precise, evenly spaced pattern of acetyl and glucuronosyl (MeGlcA) xylan substitutions in eudicots, we recently proposed that an unsubstituted face of xylan in a 2-fold helical screw can hydrogen bond to the hydrophilic surfaces of cellulose microfibrils. In gymnosperm cell walls, any role for xylan is unclear, and glucomannan is thought to be the important cellulose-binding polysaccharide. Here, we analyzed xylan from the secondary cell walls of the four gymnosperm lineages (Conifer, Gingko, Cycad, and Gnetophyta). Conifer, Gingko, and Cycad xylan lacks acetylation but is modified by arabinose and MeGlcA. Interestingly, the arabinosyl substitutions are located two xylosyl residues from MeGlcA, which is itself placed precisely on every sixth xylosyl residue. Notably, the Gnetophyta xylan is more akin to early-branching angiosperms and eudicot xylan, lacking arabinose but possessing acetylation on alternate xylosyl residues. All these precise substitution patterns are compatible with gymnosperm xylan binding to hydrophilic surfaces of cellulose. Molecular dynamics simulations support the stable binding of 2-fold screw conifer xylan to the hydrophilic face of cellulose microfibrils. Moreover, the binding of multiple xylan chains to adjacent planes of the cellulose fibril stabilizes the interaction further. Our results show that the type of xylan substitution varies, but an even pattern of xylan substitution is maintained among vascular plants. This suggests that 2-fold screw xylan binds hydrophilic faces of cellulose in eudicots, early-branching angiosperm, and gymnosperm cell walls. PMID:27325663

  8. Recent Advances in Ring-Opening Functionalization of Cycloalkanols by C-C σ-Bond Cleavage.

    PubMed

    Wu, Xinxin; Zhu, Chen

    2018-06-01

    Cycloalkanols prove to be privileged precursors for the synthesis of distally substituted alkyl ketones and polycyclic aromatic hydrocarbons (PAHs) by virtue of cleavage of their cyclic C-C bonds. Direct functionalization of cyclobutanols to build up other chemical bonds (e. g., C-F, C-Cl, C-Br, C-N, C-S, C-Se, C-C, etc.) has been achieved by using the ring-opening strategy. Mechanistically, the C-C cleavage of cyclobutanols can be involved in two pathways: (a) transition-metal catalyzed β-carbon elimination; (b) radical-mediated 'radical clock'-type ring opening. The recent advances of our group for the ring-opening functionalization of tertiary cycloalkanols are described in this account. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Substitution and solvent effects in the chalcones isomerization barrier of flavylium photochromic systems.

    PubMed

    Roque, Ana; Lima, João Carlos; Parola, A Jorge; Pina, Fernando

    2007-04-01

    Useful application of photochromic compounds as optical memories implies the existence of a large kinetic barrier between the forms interconverted by light. In the case of flavylium salts, the ground state isomerization barrier between the photoisomerizable chalcone isomers is shown to correlate with the electron donating ability of the substituents, measured by their effects in the (1)H NMR chemical shifts of the aromatic protons. Substitution with electron donating groups in ring A lowers the barrier while substitution at ring B has the opposite effect. However, in water, the observed increase is higher than expected in the case of compound 4',9-dihydroxychalcone when compared with the analogous 4'-dimethylamino-9-hydroxychalcone, containing a better electron donating group in the same position. Our interpretation is that the water network is providing an efficient pathway to form tautomers. In acetonitrile, unlike water, the expected order is indeed observed: E(a)(4',9-dihydroxychalcone) = 60 kJ mol(-1) < E(a) (4'-dimethylamino-9-hydroxychalcone) = 69 kJ mol(-1).

  10. Photometry of Polar-Ring Galaxies

    NASA Astrophysics Data System (ADS)

    Godínez-Martínez, A.; Watson, A. M.; Matthews, L. D.; Sparke, L. S.

    2007-10-01

    We have obtained photometry in B and R for seven confirmed or probable polar-ring galaxies from the Polar-Ring Catalog of Whitmore et al. (1990). The rings show a range of colors from B - R ≈ 0.6 to B - R ≈ 1.7. The bluest rings have bright H II regions, which are direct evidence for recent star formation. The minimum age of the reddest ring, that in PRC B-20, is somewhat uncertain because of a lack of knowledge of the internal reddening and metallicity, but appears to be at least 1.2 Gyr. As such, this ring is likely to be stable for at least several rotation periods. This ring is an excellent candidate for future studies that might better determine if it is truly old.

  11. Design, synthesis and anticonvulsant activity of some new 6,8-halo-substituted-2h-[1,2,4]triazino[5,6-b]indole-3(5h)-one/-thione and 6,8-halo-substituted 5-methyl-2h-[1,2,4]triazino[5,6-b]indol-3(5h)-one/-thione

    PubMed Central

    Kumar, Rajeev; Singh, Tejendra; Singh, Hariram; Jain, Sandeep; Roy, R. K.

    2014-01-01

    A new series of 6,8-halo-substituted-2H-[1,2,4]triazino[5,6-b]indole-3(5H)-one/-thione and 6,8-halo-substituted 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3(5H)-one/-thione (5a-5l) were designed and synthesized keeping in view of the structural requirement of pharmacophore. The above compounds were characterized by thin layer chromatography and spectral analysis. Anticonvulsant activity of the synthesized compounds was evaluated by the maximal electroshock (MES) test. Neurotoxicity and CNS depressant effects were evaluated by the rotarod motor impairment and Porsolt’s force swim tests, respectively. A computational study was carried out, for calculation of pharmacophore pattern, prediction of pharmacokinetic properties and toxicity properties. The above study revealed that the compounds 8-chloro-2H-[1,2,4]triazino[5,6-b]indol-3(5H)-one (5e), 6,8-dibromo-2H-[1,2,4]triazino[5,6-b]indol-3(5H)-one (5i) and 6,8-dibromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3(5H)-one (5k) possess excellent anticonvulsant activity in the series with little CNS depressant effect and no neurotoxicity as compared to standard drugs phenytoin and carbamazepine. PMID:26417257

  12. Design and synthesis of new potent PTP1B inhibitors with the skeleton of 2-substituted imino-3-substituted-5-heteroarylidene-1,3-thiazolidine-4-one: Part I.

    PubMed

    Meng, Ge; Zheng, Meilin; Wang, Mei; Tong, Jing; Ge, Weijuan; Zhang, Jiehe; Zheng, Aqun; Li, Jingya; Gao, Lixin; Li, Jia

    2016-10-21

    A new series of 2-substituted imino-3-substituted-5- heteroarylidene-1,3-thiazolidine-4-ones as the potent bidentate PTP1B inhibitors were designed and synthesized in this paper. All of the new compounds were characterized and identified by spectra analysis. The biological screening test against PTP1B showed that some of these compounds have the positive inhibitory activity against PTP1B. The activity of the compounds with 5-substituted pyrrole on 5-postion of 1,3-thiazolidine-4-one are more potent than that of those compounds with 5-substituted pyridine group. Compound 14b, 14h and 14i showed IC50 values of 8.66 μM, 6.83 μM and 6.09 μM against PTP1B, respectively. Docking analysis of these active compounds with PTP1B showed the possible interaction modes of these biheterocyclic compounds with the active sites of PTP1B. The inhibition tests against oncogenetic CDC25B were also conducted on this set of compounds to evaluate the selectivity and possible anti-neoplastic activity. Compound 14b also showed the lowest IC50 of 1.66 μM against CDC25B among all the possible inhibitors, including 14g, 14h, 14i and 15c. Some pharmacological parameters including VolSurf, steric and electric descriptors of all the compounds were calculated to give some hints about the relative relationship with the biological activity. The result of this study might give some light on designing the possible anti-cancer drugs targeting at phosphatases. The most active compound 14i might be used as the lead compound for further structure modification of the new low molecular weight PTP1B inhibitors with the N-containing heterocyclic skeleton. Copyright © 2016. Published by Elsevier Masson SAS.

  13. Photooxidation of the cytochrome b-559 in the presence of various substituted 2-anilinothiophenes and of some other compounds, in Chlamydomonas reinhardtii.

    PubMed

    Maroc, J; Garnier, J

    1979-11-08

    Five substituted 2-anilinothiophenes and two substituted carbonylcyanide-phenylhydrazones were comparatively studied with respect to their capacities for inducing photooxidation of the cytochrome b-559 in chloroplast fragments and in whole cells of Chlamydomonas reinhardtii (wild type and P-700-lacking mutant Fl 5). In addition, some other compounds: antimycin A, picric acid, tetraphenylboron and NH4Cl were also tested. Cytochrome b-559 photooxidations were clearly observed in the presence of 2-(3-chloro-4-trifluoromethyl)anilino-3,5-dinitrothiophene (ANT 2p), 2-(3,4,5-trichloro)anilino-3,5-dinitrothiophene (ANT 2s), 2-(4-chloro)anilino-3,5-dinitrothiophene and, with greater amplitudes, in the presence of carbonylcyanide-p-trifluoromethoxyphenylhydrazone and carbonylcyanide-m-chlorophenylhydrazone, both in whole cells and in chloroplast fragments. Picric acid, antimycin A and tetraphenylboron were also able to induce cytochrome b-559 photooxidation in chloroplast fragments, but not in whole cells. In the wild type, the highest photoinduced redox changes were 1.1 (carbonylcyanide-p-trifluoromethoxyphenylhydrazone, carbonylcyanide-m-chlorophenyl-hydrazone) and 0.6 (ANT 2p, ANT 2s) mumol of oxidized cytochrome b-559/1 mmol of chlorophyll, corresponding to 40% and 23% of the redox changes which could be induced chemically. All these cytochrome b-559 photooxidations, the greater part of which was inhibited by 3-(3,4-dichloropheny)-1,1-dimethylurea and occurred in the mutant Fl 5, appeared to be mainly Photosystem II-dependent reactions. But 3-(3,4-dichlorophenyl)-1,1-dimethylurea-insensitive Photosystem I-dependent photooxidations of cytochrome b-559 occurred also in the wild type. On the other hand, 2-(4-dimethylamine)-anilino-3,5-dinitrothiophene, 2-N-methyl-(3-chloro-4-trifluoromethyl)anilino-3,5-dinitrothiophene and NH4Cl did not induce any cytochrome b-559 photooxidation. These results were discussed taking in consideration the nature of the molecular substitutions

  14. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sun, Hui, E-mail: huisun3@iflytek.com; Lu, Xu; Morelli, Donald T.

    Boron-added CoSi, CoSi{sub 0.98}B{sub 0.02}, possesses a very high thermoelectric power factor of 60 μW cm{sup −1} K{sup −2} at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms is intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi{sub 0.98}B{sub 0.02} has been studied. Here, we present a study of the substitutionmore » of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands, while Ge substitution only shifts the Fermi level upward into the conduction band. Our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.« less

  15. Molecular complexes of alprazolam with carboxylic acids, boric acid, boronic acids, and phenols. Evaluation of supramolecular heterosynthons mediated by a triazole ring.

    PubMed

    Varughese, Sunil; Azim, Yasser; Desiraju, Gautam R

    2010-09-01

    A series of molecular complexes, both co-crystals and salts, of a triazole drug-alprazolam-with carboxylic acids, boric acid, boronic acids, and phenols have been analyzed with respect to heterosynthons present in the crystal structures. In all cases, the triazole ring behaves as an efficient hydrogen bond acceptor with the acidic coformers. The hydrogen bond patterns exhibited with aromatic carboxylic acids were found to depend on the nature and position of the substituents. Being a strong acid, 2,6-dihydroxybenzoic acid forms a salt with alprazolam. With aliphatic dicarboxylic acids alprazolam forms hydrates and the water molecules play a central role in synthon formation and crystal packing. The triazole ring makes two distinct heterosynthons in the molecular complex with boric acid. Boronic acids and phenols form consistent hydrogen bond patterns, and these are seemingly independent of the substitutional effects. Boronic acids form noncentrosymmetric cyclic synthons, while phenols form O--H...N hydrogen bonds with the triazole ring.

  16. Heterocyclic replacements for benzene: Maximising ADME benefits by considering individual ring isomers.

    PubMed

    Ritchie, Timothy J; Macdonald, Simon J F

    2016-11-29

    The impact of replacing a mono-substituted benzene (phenyl) ring with thirty three aromatic and nine aliphatic heterocycles on nine ADME-related screens (solubility, lipophilicity, permeability, protein binding CYP450 inhibition and metabolic clearance) was assessed using matched molecular pair analysis. The results indicate that the influence on the ADME profile can differ significantly depending on the ring identity and importantly on the individual regioisomers that are possible for some rings. This information enables the medicinal chemist to make an informed choice about which rings and regioisomers to employ as mono-substituted benzene replacements, based upon the knowledge of how such replacements are likely to influence ADME-related parameters, for example to target higher solubility whilst avoiding CYP450 liabilities. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  17. The Introduction of substitutional and non-substitutional dopants into MgB2 in high pressure/Temperature or non-equilibrium regimes

    NASA Astrophysics Data System (ADS)

    Sumption, Mike

    2013-03-01

    In an attempt to study the effect of doping of MgB2 under conditions leading to efficient doping, we used both an high temperature/high pressure induction furnace to dope into MgB2 bulks at temperatures up to 1600 C and 1500 Psi, and thin film, PLD multilayer and mixed layer film fabrication. The high temperature/high pressure formation was used to explore the solubility at high temperatures of various dopants, and the thin film formation was an attempt to use non-equilibrium conditions to inject dopants more effectively. The dopants used were C, Ti, and Zr. C was seen to reach a maximal level at 4 at% C site substituted into MgB2, as evidenced by EPMA and XRD results. Zr, of interest as a possible Mg site substitution in MgB2 was not seen to enter into the MgB2 phase (instead segregating) in the bulk high temperature/high pressure experiments, but was seen to enter in during PLD, as evidenced by STEM and XRD results. Ti additions were attempted in the high pressures and temperature rig, with some evidence for dopant introduction. Critical field measurements on the Zr doped samples where seen to suppress Bc2 for all except very low levels of Ti addition, presumably associated with the much greater doping efficiency. This work was supported by the U.S. Department of Energy, High Energy Physics university Grant No. DE-FG02-95ER40900

  18. Axisymmetric Density Waves in Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Hedman, Matthew; Nicholson, Philip

    2018-04-01

    Density waves in Saturn's rings are typically tightly wrapped spiral patterns generated by resonances with either Saturn's moons or structures inside the planet. However, between the Barnard and Bessel Gaps in the Cassini Division (i.e. between 120,240 and 120,300 km), there are density variations that appear to form an axisymmetric density wave, which consists of concentric regions of varying density that propagate radially through the rings. Such a wave requires some process that forces ring particles at all longitudes to pass through pericenter at the same time, and so cannot be generated by satellite resonances. Instead this particular wave appears to be excited by interference between a nearby satellite resonance and normal mode oscillations on the inner edge of the Barnard Gap. Similar axisymmetric waves may exist within the Dawes ringlet and the outermost part of the B ring, which are also just interior to resonantly confined edges that exhibit a large number of normal modes. These waves may therefore provide new insights into how resonant perturbations near an edge can propagate through a disk of material.

  19. A comparative study of two novel unsymmetrically substituted triazacyclohexanes

    NASA Astrophysics Data System (ADS)

    Lamraoui, Hanane; Messai, Amel; Bilge, Duygu; Bilge, Metin; Bouchemma, Ahcen; Parlak, Cemal

    2017-06-01

    Novel unsymmetrically N-substituted N,N‧-R1N″-R2-1,3,5-triazacyclohexanes (1b and 2b; R1 = p-chlorophenyl or p-methoxyphenyl and R2 = butyl or cyclohexyl) have been synthesized in a good yield from condensation reaction by excess amine. Both triazacyclohexane rings have chair conformation. However, 1b adopts diaxial orientation of aryl groups and an equatorial form of alkyl group whereas 2b prefers an axial orientation of the alkyl group and diequatorial forms of aryl groups. 1b is consolidated by weak C-H⋯π interactions. Intra-molecular C-H⋯O or C-H⋯N hydrogen bonds and C-H⋯π may be effective in the stabilization of 2b. Both compounds have showed moderate antimicrobial activity, but 1b exhibits higher activity than 2b. All experimental results are found in good support to theoretical data. Findings of research may be helpful guide for the medicinal chemists and the field is further open for pharmacokinetics studies.

  20. Mutational analysis of TRAF6 reveals a conserved functional role of the RING dimerization interface and a potentially necessary but insufficient role of RING-dependent TRAF6 polyubiquitination towards NF-κB activation

    PubMed Central

    Megas, Charilaos; Hatzivassiliou, Eudoxia G.; Yin, Qian; Vignali, Dario A.A.; Mosialos, George

    2011-01-01

    TRAF6 is an E3 ubiquitin ligase that plays a pivotal role in the activation of NF-κB by innate and adaptive immunity stimuli. TRAF6 consists of a highly conserved carboxyl terminal TRAF-C domain which is preceded by a coiled coil domain and an amino terminal region that contains a RING domain and a series of putative zinc-finger motifs. The TRAF-C domain contributes to TRAF6 oligomerization and mediates the interaction of TRAF6 with upstream signaling molecules whereas the RING domain comprises the core of the ubiquitin ligase catalytic domain. In order to identify structural elements that are important for TRAF6-induced NF-κB activation, mutational analysis of the TRAF-C and RING domains was performed. Alterations of highly conserved residues of the TRAF-C domain of TRAF6 did not affect significantly the ability of the protein to activate NF-κB. On the other hand a number of functionally important residues (L77, Q82, R88, F118, N121 and E126) for the activation of NF-κB were identified within the RING domain of TRAF6. Interestingly, several homologues of these residues in TRAF2 were shown to have a conserved functional role in TRAF2-induced NF-κB activation and lie at the dimerization interface of the RING domain. Finally, whereas alteration of Q82, R88 and F118 compromised both the K63-linked polyubiquitination of TRAF6 and its ability to activate NF-κB, alteration of L77, N121 and E126 diminished the NF-κB activating function of TRAF6 without affecting TRAF6 K63-linked polyubiquitination. Our results support a conserved functional role of the TRAF RING domain dimerization interface and a potentially necessary but insufficient role for RING-dependent TRAF6 K63-linked polyubiquitination towards NF-κB activation in cells. PMID:21185369

  1. Mutational analysis of TRAF6 reveals a conserved functional role of the RING dimerization interface and a potentially necessary but insufficient role of RING-dependent TRAF6 polyubiquitination towards NF-κB activation.

    PubMed

    Megas, Charilaos; Hatzivassiliou, Eudoxia G; Yin, Qian; Marinopoulou, Elli; Hadweh, Paul; Vignali, Dario A A; Mosialos, George

    2011-05-01

    TRAF6 is an E3 ubiquitin ligase that plays a pivotal role in the activation of NF-κB by innate and adaptive immunity stimuli. TRAF6 consists of a highly conserved carboxyl terminal TRAF-C domain which is preceded by a coiled coil domain and an amino terminal region that contains a RING domain and a series of putative zinc-finger motifs. The TRAF-C domain contributes to TRAF6 oligomerization and mediates the interaction of TRAF6 with upstream signaling molecules whereas the RING domain comprises the core of the ubiquitin ligase catalytic domain. In order to identify structural elements that are important for TRAF6-induced NF-κB activation, mutational analysis of the TRAF-C and RING domains was performed. Alterations of highly conserved residues of the TRAF-C domain of TRAF6 did not affect significantly the ability of the protein to activate NF-κB. On the other hand a number of functionally important residues (L77, Q82, R88, F118, N121 and E126) for the activation of NF-κB were identified within the RING domain of TRAF6. Interestingly, several homologues of these residues in TRAF2 were shown to have a conserved functional role in TRAF2-induced NF-κB activation and lie at the dimerization interface of the RING domain. Finally, whereas alteration of Q82, R88 and F118 compromised both the K63-linked polyubiquitination of TRAF6 and its ability to activate NF-κB, alteration of L77, N121 and E126 diminished the NF-κB activating function of TRAF6 without affecting TRAF6 K63-linked polyubiquitination. Our results support a conserved functional role of the TRAF RING domain dimerization interface and a potentially necessary but insufficient role for RING-dependent TRAF6 K63-linked polyubiquitination towards NF-κB activation in cells. Copyright © 2010 Elsevier Inc. All rights reserved.

  2. Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains

    PubMed Central

    Boer, D Roeland; Ruíz-Masó, José A; López-Blanco, José R; Blanco, Alexander G; Vives-Llàcer, Mireia; Chacón, Pablo; Usón, Isabel; Gomis-Rüth, F Xavier; Espinosa, Manuel; Llorca, Oscar; del Solar, Gloria; Coll, Miquel

    2009-01-01

    RepB initiates plasmid rolling-circle replication by binding to a triple 11-bp direct repeat (bind locus) and cleaving the DNA at a specific distant site located in a hairpin loop within the nic locus of the origin. The structure of native full-length RepB reveals a hexameric ring molecule, where each protomer has two domains. The origin-binding and catalytic domains show a three-layer α–β–α sandwich fold. The active site is positioned at one of the faces of the β-sheet and coordinates a Mn2+ ion at short distance from the essential nucleophilic Y99. The oligomerization domains (ODs), each consisting of four α-helices, together define a compact ring with a central channel, a feature found in ring helicases. The toroidal arrangement of RepB suggests that, similar to ring helicases, it encircles one of the DNA strands during replication to confer processivity to the replisome complex. The catalytic domains appear to be highly mobile with respect to ODs. This mobility may account for the adaptation of the protein to two distinct DNA recognition sites. PMID:19440202

  3. Monoamine oxidase inhibitory activity of methoxy-substituted chalcones.

    PubMed

    Mathew, Bijo; Mathew, Githa Elizabeth; Ucar, Gulberk; Joy, Monu; Nafna, E K; Lohidakshan, Krishnakumar K; Suresh, Jerad

    2017-11-01

    The MAO-B inhibitory activity of chalcone (1, 3- diphenyl-2-propen-1-one) based compounds arise from its structural similarity with 1, 4-diphenyl-2-butene, a known MAO-B inhibitor. Based on our previous report, the methoxy-substituted with fluorine containing chalcones are promising reversible MAO-B inhibitors, while in the present study, a series of methoxylated chalcones (C1-C9) bearing substitution on the para position of ring B was synthesized and evaluated for their human monoamine oxidase inhibitory activity. With the exception of (2E)-1-(4-methoxyphenyl)-3-(4-nitrophenyl) prop-2-en-1-one (C7), which is a nonselective inhibitor, the chalcones exhibited competitive, selective, and reversible inhibition of hMAO-B. The most potent compound, (2E)-3-[4-(dimethylamino) phenyl]-1-(4-methoxyphenyl) prop-2-en-1-one (C5), showed the best inhibitory activity towards hMAO-B (IC 50 =0.29±0.011μM;K i =0.14±0.001μM). The reversibility of MAO-B inhibition by compound C5 was demonstrated by the recovery of enzyme activity after dialysis of mixtures containing enzyme and inhibitor. The reversiblity of C5 was 25.38±1.40 and 92.00±3.87% before and after dialysis, respectively. PAMPA was carried out to evaluate the blood-brain barrier effects of the designated compounds. Moreover, the most potent MAO-B inhibitor, C5, was found to be nontoxic towards cultured hepatic cells at 5 and 25μM, with 97 and 90% viability. Molecular docking study was performed against hMAO-B to observe the binding site interactions of the lead compound. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Quantifying reactivity for electrophilic aromatic substitution reactions with Hirshfeld charge.

    PubMed

    Liu, Shubin

    2015-03-26

    An electrophilic aromatic substitution is a process where one atom or group on an aromatic ring is replaced by an incoming electrophile. The reactivity and regioselectivity of this category of reactions is significantly impacted by the group that is already attached to the aromatic ring. Groups promoting substitution at the ortho/para and meta position are called ortho/para and meta directing groups, respectively. Earlier, we have shown that regioselectivity of the electrophilic aromatic substitution is dictated by the nucleophilicity of the substituted aromatic ring, which is proportional to the Hirshfeld charge on the regioselective site. Ortho/para directing groups have the largest negative charge values at the ortho/para positions, whereas meta directing groups often have the largest negative charge value at the meta position. The electron donation or acceptance feature of a substitution group is irrelevant to the regioselectivity. In this contribution, we extend our previous study by quantifying the reactivity for this kind of reactions. To that end, we examine the transition-state structure and activation energy of an identity reaction for a series of monosubstituted-benzene molecules reacting with hydrogen fluoride using BF3 as the catalyst in the gas phase. A total of 18 substitution groups will be considered, nine of which are ortho/para directing and the other nine groups meta directing. From this study, we found that the barrier height of these reactions strongly correlates with the Hirshfeld charge on the regioselective site for both ortho/para and meta directing groups, with the correlation coefficient R(2) both better than 0.96. We also discovered a less accurate correlation between the barrier height and HOMO energy. These results reconfirm the validity and effectiveness of employing the Hirshfeld charge as a reliable descriptor of both reactivity and regioselectivity for this vastly important category of chemical transformations.

  5. Multifractal Approaches of the Ring Tensile Rupture Patterns of Dried Laver (Porphyra) as Affected by the Relative Humidity.

    PubMed

    Jung, Hwabin; Yoon, Won Byong

    2017-12-01

    The effect of water activity (a w ) or the relative humidity (RH) on the tensile rupture properties of dried laver (DL) associated with structures formed with phycocolloids was investigated. The morphological characteristics of tensile ruptured DL samples at various relative humidities were evaluated by multifractal analysis. The RH of the microclimate was controlled from 10% to 90% at 25 °C using supersaturated salt solutions. The sorption isotherm of DL was experimentally obtained and quantitatively analyzed using mathematical models. The monolayer moisture contents from the Guggenheim-Anderson-de Boer (GAB) model was 5.92% (w.b.). An increase in the RH resulted in increasing ring tensile stress and maintaining constant ring tensile strain up to 58% to 75% RH, whereas the ring tensile stress and the ring tensile strain rapidly decreased and increased, respectively, when the RH was higher than 75%. The general fractal dimensions and the multifractal spectra f(α) manifested that the patterns of the lowest and the highest moisture content of dried laver showed high irregularity. The different multifractal parameters obtained from the DL at various RHs well-represented the transient moment of the structures from the monolayer moisture to texture changes associated with RH. Overall, the ring tensile test and the multifractal analysis were useful tools to analyze the change of crispness of DL from its structural characteristics. In addition, the results of this study revealed that the integration and disintegration properties of DL occurred through the networks of phycocolloids at various moisture contents. Texture properties are the most important quality attributes for commercial dried laver (DL) products. The relative humidity influences the texture properties of DL during production, storage, shipping, and consuming. This study well characterized the effect of the relative humidity on the texture properties of DL using the tensile tests under microclimate

  6. Structure and origin of Australian ring and dome features with reference to the search for asteroid impact events

    NASA Astrophysics Data System (ADS)

    Glikson, Andrew

    2018-01-01

    Ring, dome and crater features on the Australian continent and shelf include (A) 38 structures of confirmed or probable asteroid and meteorite impact origin and (B) numerous buried and exposed ring, dome and crater features of undefined origin. A large number of the latter include structural and geophysical elements consistent with impact structures, pending test by field investigations and/or drilling. This paper documents and briefly describes 43 ring and dome features with the aim of appraising their similarities and differences from those of impact structures. Discrimination between impact structures and igneous plugs, volcanic caldera and salt domes require field work and/or drilling. Where crater-like morphological patterns intersect pre-existing linear structural features and contain central morphological highs and unique thrust and fault patterns an impact connection needs to tested in the field. Hints of potential buried impact structures may be furnished by single or multi-ring TMI patterns, circular TMI quiet zones, corresponding gravity patterns, low velocity and non-reflective seismic zones.

  7. Ordered patterns and structures via interfacial self-assembly: superlattices, honeycomb structures and coffee rings.

    PubMed

    Ma, Hongmin; Hao, Jingcheng

    2011-11-01

    Self-assembly is now being intensively studied in chemistry, physics, biology, and materials engineering and has become an important "bottom-up" approach to create intriguing structures for different applications. Self-assembly is not only a practical approach for creating a variety of nanostructures, but also shows great superiority in building hierarchical structures with orders on different length scales. The early work in self-assembly focused on molecular self-assembly in bulk solution, including the resultant dye aggregates, liposomes, vesicles, liquid crystals, gels and so on. Interfacial self-assembly has been a great concern over the last two decades, largely because of the unique and ingenious roles of this method for constructing materials at interfaces, such as self-assembled monolayers, Langmuir-Blodgett films, and capsules. Nanocrystal superlattices, honeycomb films and coffee rings are intriguing structural materials with more complex features and can be prepared by interfacial self-assembly on different length scales. In this critical review, we outline the recent development in the preparation and application of colloidal nanocrystal superlattices, honeycomb-patterned macroporous structures by the breath figure method, and coffee-ring-like patterns (247 references). This journal is © The Royal Society of Chemistry 2011

  8. Boroxol rings from diffraction data on vitreous boron trioxide.

    PubMed

    Soper, Alan K

    2011-09-14

    There has been a considerable debate about the nature of the short range atomic order in vitreous B(2)O(3). Some authorities state that it is not possible to build a model of glassy boron oxide of the correct density containing a large number of six-membered rings which also fits experimental diffraction data, but recent computer simulations appear to overrule that view. To discover which view is correct I use empirical potential structure refinement (EPSR) on existing neutron and x-ray diffraction data to build two models of vitreous B(2)O(3). One of these consists only of single boron and oxygen atoms arranged in a network to reproduce the diffraction data as closely as possible. This model has less than 10% of boron atoms in boroxol rings. The second model is made up of an equimolar mixture of B(3)O(3) hexagonal ring 'molecules' and BO(3) triangular molecules, with no free boron or oxygen atoms. This second model therefore has 75% of the boron atoms in boroxol rings. It is found that both models give closely similar diffraction patterns, suggesting that the diffraction data in this case are not sensitive to the number of boroxol rings present in the structure. This reinforces recent Raman, ab initio, and NMR claims that the percentage of boroxol rings in this material may be as high as 75%. The findings of this study probably explain why some interpretations based on different simulation techniques only find a small fraction of boroxol rings. The results also highlight the power of EPSR for the extraction of accurate atomistic representations of amorphous structures, provided adequate additional, non-scattering data (such as Raman and NMR in this case) are available.

  9. Looking for age-related growth decline in natural forests: unexpected biomass patterns from tree rings and simulated mortality

    USGS Publications Warehouse

    Foster, Jane R.; D'Amato, Anthony W.; Bradford, John B.

    2014-01-01

    Forest biomass growth is almost universally assumed to peak early in stand development, near canopy closure, after which it will plateau or decline. The chronosequence and plot remeasurement approaches used to establish the decline pattern suffer from limitations and coarse temporal detail. We combined annual tree ring measurements and mortality models to address two questions: first, how do assumptions about tree growth and mortality influence reconstructions of biomass growth? Second, under what circumstances does biomass production follow the model that peaks early, then declines? We integrated three stochastic mortality models with a census tree-ring data set from eight temperate forest types to reconstruct stand-level biomass increments (in Minnesota, USA). We compared growth patterns among mortality models, forest types and stands. Timing of peak biomass growth varied significantly among mortality models, peaking 20–30 years earlier when mortality was random with respect to tree growth and size, than when mortality favored slow-growing individuals. Random or u-shaped mortality (highest in small or large trees) produced peak growth 25–30 % higher than the surviving tree sample alone. Growth trends for even-aged, monospecific Pinus banksiana or Acer saccharum forests were similar to the early peak and decline expectation. However, we observed continually increasing biomass growth in older, low-productivity forests of Quercus rubra, Fraxinus nigra, and Thuja occidentalis. Tree-ring reconstructions estimated annual changes in live biomass growth and identified more diverse development patterns than previous methods. These detailed, long-term patterns of biomass development are crucial for detecting recent growth responses to global change and modeling future forest dynamics.

  10. The polar-ring galaxies NGC 2685 and NGC 3808B (VV 300)

    NASA Technical Reports Server (NTRS)

    Reshetnikov, V. P.; Yakovleva, V. A.

    1990-01-01

    Polar-ring galaxies (PRG) are among the most interesting examples of interaction between galaxies. A PRG is a galaxy with an elongated main body surrounded by a ring (or a disk) of stars, gas, and dust rotating in a near-polar plane (Schweizer, Whitmore, and Rubin, 1983). Accretion of matter by a massive lenticular galaxy from either intergalactic medium or a companion galaxy is usually considered as an explanation of the observed structure of PRG. In the latter case there are two possibilities: capture and merging of a neighbor galaxy, and accretion of mass from a companion galaxy during a close encounter. Two PRG formation scenarios just mentioned are illustrated here by the results of our observations of the peculiar galaxies NGC 2685 and NGC 3808B.

  11. Theoretical study of hydrogen storage in a truncated triangular pyramid molecule consisting of pyridine and benzene rings bridged by vinylene groups

    NASA Astrophysics Data System (ADS)

    Ishikawa, Shigeru; Nemoto, Tetsushi; Yamabe, Tokio

    2018-06-01

    Hydrogen storage in a truncated triangular pyramid molecule C33H21N3, which consists of three pyridine rings and one benzene ring bridged by six vinylene groups, is studied by quantum chemical methods. The molecule is derived by substituting three benzene rings in a truncated tetrahedron hydrocarbon C36H24 with pyridine rings. The optimized molecular structure under C 3v symmetry shows no imaginary vibrational modes at the B3LYP/cc-pVTZ level of theory. The hydrogen storage process is investigated based on the MP2/cc-pVTZ method. Like the structure before substitution, the C33H21N3 molecule has a cavity that stores a hydrogen molecule with a binding energy of - 140 meV. The Langmuir isotherm shows that this cavity can store hydrogen at higher temperatures and lower pressures than usual physisorption materials. The C33H21N3 molecule has a kinetic advantage over the C36H24 molecule because the former molecule has a lower barrier (+ 560 meV) for the hydrogen molecule entering the cavity compared with the latter molecule (+ 730 meV) owing to the lack of hydrogen atoms narrowing the opening.

  12. Tetrahydroquinoline Ring as a Versatile Bioisostere of Tetralin for Melatonin Receptor Ligands.

    PubMed

    Rivara, Silvia; Scalvini, Laura; Lodola, Alessio; Mor, Marco; Caignard, Daniel-Henri; Delagrange, Philippe; Collina, Simona; Lucini, Valeria; Scaglione, Francesco; Furiassi, Lucia; Mari, Michele; Lucarini, Simone; Bedini, Annalida; Spadoni, Gilberto

    2018-04-26

    A new family of melatonin receptor ligands, characterized by a tetrahydroquinoline (THQ) scaffold carrying an amide chain in position 3, was devised as conformationally constrained analogs of flexible N-anilinoethylamides previously developed. Molecular superposition models allowed to identify the patterns of substitution conferring high receptor binding affinity and to support the THQ ring as a suitable scaffold for the preparation of melatonin ligands. The biological activity of 3-acylamino-THQs was compared with that of the corresponding tetralin derivatives. The THQ ring proved to be a versatile scaffold for easy feasible MT 1 and MT 2 ligands, which resulted as more polar bioisosteres of their tetralin analogs. Potent partial agonists, with subnanomolar binding affinity for the MT 2 receptor, were obtained, and a new series of THQ derivatives is presented. The putative binding mode of potent THQs and tetralines was discussed on the basis of their conformational equilibria as inferred from molecular dynamics simulations and experimental NMR data.

  13. Saturn's Rings, the Yarkovsky Effects, and the Ring of Fire

    NASA Technical Reports Server (NTRS)

    Rubincam, David Parry

    2004-01-01

    The dimensions of Saturn's A and B rings may be determined by the seasonal Yarkovsky effect and the Yarkovsky-Schach effect; the two effects confine the rings between approximately 1.68 and approximately 2.23 Saturn radii, in reasonable agreement with the observed values of 1.525 and 2.267. The C ring may be sparsely populated because its particles are transients on their way to Saturn; the infall may create a luminous Ring of Fire around Saturn's equator. The ring system may be young: in the past heat flow from Saturn's interior much above its present value would not permit rings to exist.

  14. Neutron diffraction studies on cobalt substituted BiFeO3

    NASA Astrophysics Data System (ADS)

    Ray, J.; Biswal, A. K.; Acharya, S.; Babu, P. D.; Siruguri, V.; Vishwakarma, P. N.

    2013-02-01

    A dilute concentration of single phase Cobalt substituted Bismuth ferrite, BiFe1-XCoXO3; (x=0, 0.02) is prepared by sol-gel auto combustion method. Room temperature neutron diffraction patterns show no change in the crystal and magnetic structure upon cobalt doping. The calculation of magnetic moments shows 3.848 μB for Fe+ and 2.85 μB for Co3+. The cobalt is found to be in intermediate spin state.

  15. Patterns of patterns of synchronization: Noise induced attractor switching in rings of coupled nonlinear oscillators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Emenheiser, Jeffrey; Department of Physics, University of California, Davis, California 95616; Chapman, Airlie

    Following the long-lived qualitative-dynamics tradition of explaining behavior in complex systems via the architecture of their attractors and basins, we investigate the patterns of switching between distinct trajectories in a network of synchronized oscillators. Our system, consisting of nonlinear amplitude-phase oscillators arranged in a ring topology with reactive nearest-neighbor coupling, is simple and connects directly to experimental realizations. We seek to understand how the multiple stable synchronized states connect to each other in state space by applying Gaussian white noise to each of the oscillators' phases. To do this, we first analytically identify a set of locally stable limit cyclesmore » at any given coupling strength. For each of these attracting states, we analyze the effect of weak noise via the covariance matrix of deviations around those attractors. We then explore the noise-induced attractor switching behavior via numerical investigations. For a ring of three oscillators, we find that an attractor-switching event is always accompanied by the crossing of two adjacent oscillators' phases. For larger numbers of oscillators, we find that the distribution of times required to stochastically leave a given state falls off exponentially, and we build an attractor switching network out of the destination states as a coarse-grained description of the high-dimensional attractor-basin architecture.« less

  16. Structural characterization of Mg substituted on A/B sites in NiFe_2O_4 nanoparticles using autocombustion method

    NASA Astrophysics Data System (ADS)

    De, Manojit; Tewari, H. S.

    2017-07-01

    In the present paper, we are reporting the synthesis of pure nickel and magnesium ferrite [NiFe_2O_4, MgFe_2O_4] and magnesium-substituted nickel ferrite (Ni_{1-x}Mg_{x/y}Fe_{2-y}O_4; x=y=0.60) on A/B sites with particles size in nanometer range using autocombustion technique. In this study, it has been observed that with increase in sintering temperature, the estimated bulk density of the materials increases. The XRD patterns of the samples show the formation of single-phase materials and the lattice parameters are estimated from XRD patterns. From Raman spectra, the Raman shift of pure NiFe_2O_4 and MgFe_2O_4 are comparable with the experimental values reported in literature. The Raman spectra give five Raman active modes (A_{{1g}} + Eg + 3F_{2g}) which are expected in the spinel structure.

  17. Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations.

    PubMed

    Zhong, Aimin; Zhang, Yuexing; Bian, Yongzhong

    2010-11-01

    The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties. Copyright © 2010 Elsevier Inc. All rights reserved.

  18. Patterning nanoparticles into rings by "2-D Pickering emulsions".

    PubMed

    Lee, Cheol Hee; Crosby, Alfred J; Hayward, Ryan C; Emrick, Todd

    2014-04-09

    We present a simple method for the two-dimensional self-assembly of CdSe/ZnS quantum dots (QDs) into well-defined rings at the air/water interface, through the formation of "2-D Pickering emulsions". Surfactant molecules assemble at the air/water interface into islands that are subsequently surrounded by adsorption of QDs from the aqueous subphase. The QD rings emanating from this process range from ∼100 nm to several micrometers in diameter, as characterized by atomic force microscopy, scanning electron microscopy, and fluorescence microscopy. The deposition and alignment of QD rings onto large areas (cm(2)) were demonstrated by dip-coating onto a substrate. This simple method produces rings of QDs without the need for any templating or fabrication steps.

  19. A close look at Saturn's rings with Cassini VIMS

    USGS Publications Warehouse

    Nicholson, P.D.; Hedman, M.M.; Clark, R.N.; Showalter, M.R.; Cruikshank, D.P.; Cuzzi, J.N.; Filacchione, G.; Capaccioni, F.; Cerroni, P.; Hansen, G.B.; Sicardy, B.; Drossart, P.; Brown, R.H.; Buratti, B.J.; Baines, K.H.; Coradini, A.

    2008-01-01

    near-IR band depths strengthen considerably. A very similar pattern is seen across the outer half of the Cassini Division and into the inner A ring, accompanied by a steepening of the red slope in the visible spectrum shortward of 0.55 ??m. We attribute these trends-as well as smaller-scale variations associated with strong density waves in the A ring-to differing grain sizes in the tholin-contaminated icy regolith that covers the surfaces of the decimeter-to-meter sized ring particles. On the largest scale, the spectral variations seen by VIMS suggest that the rings may be divided into two larger 'ring complexes,' with similar internal variations in structure, optical depth, particle size, regolith texture and composition. The inner complex comprises the C and B rings, while the outer comprises the Cassini Division and A ring. ?? 2007 Elsevier Inc. All rights reserved.

  20. Radar imaging of Saturn's rings

    NASA Astrophysics Data System (ADS)

    Nicholson, Philip D.; French, Richard G.; Campbell, Donald B.; Margot, Jean-Luc; Nolan, Michael C.; Black, Gregory J.; Salo, Heikki J.

    2005-09-01

    We present delay-Doppler images of Saturn's rings based on radar observations made at Arecibo Observatory between 1999 and 2003, at a wavelength of 12.6 cm and at ring opening angles of 20.1°⩽|B|⩽26.7°. The average radar cross-section of the A ring is ˜77% relative to that of the B ring, while a stringent upper limit of 3% is placed on the cross-section of the C ring and 9% on that of the Cassini Division. These results are consistent with those obtained by Ostro et al. [1982, Icarus 49, 367-381] from radar observations at |B|=21.4°, but provide higher resolution maps of the rings' reflectivity profile. The average cross-section of the A and B rings, normalized by their projected unblocked area, is found to have decreased from 1.25±0.31 to 0.74±0.19 as the rings have opened up, while the circular polarization ratio has increased from 0.64±0.06 to 0.77±0.06. The steep decrease in cross-section is at variance with previous radar measurements [Ostro et al., 1980, Icarus 41, 381-388], and neither this nor the polarization variations are easily understood within the framework of either classical, many-particle-thick or monolayer ring models. One possible explanation involves vertical size segregation in the rings, whereby observations at larger elevation angles which see deeper into the rings preferentially see the larger particles concentrated near the rings' mid-plane. These larger particles may be less reflective and/or rougher and thus more depolarizing than the smaller ones. Images from all four years show a strong m=2 azimuthal asymmetry in the reflectivity of the A ring, with an amplitude of ±20% and minima at longitudes of 67±4° and 247±4° from the sub-Earth point. We attribute the asymmetry to the presence of gravitational wakes in the A ring as invoked by Colombo et al. [1976, Nature 264, 344-345] to explain the similar asymmetry long seen at optical wavelengths. A simple radiative transfer model suggests that the enhancement of the azimuthal

  1. Mapping the circumsolar dust ring near the orbit of Venus

    NASA Astrophysics Data System (ADS)

    Jones, M. H.; Bewsher, D.; Brown, D. S.

    2017-05-01

    Synoptic images obtained from the HI-2 instrument on STEREO-A and -B between 2007 and 2014 have been used to further investigate the circumsolar dust ring at the orbit of Venus that was reported by Jones et al. (2013). The analysis is based on high signal-to-noise ratio photometry of the zodiacal light, using data acquired over 10-day intervals, followed by a process of extracting spatial variability on scales up to about 6.5°. The resulting images provide information about the structure of the ring at the location where it is viewed tangentially. We identify 65 usable data sets that comprise about 11% of the available HI-2 data. Analysis of these images show that the orientation of the ring appears to be different to that of the orbit of Venus, with an inclination of 2.1° and longitude of ascending node of 68.5°. We map the variation of ring density parameters in a frame of reference that is co-rotating with Venus and find a pattern suggestive of dust in a 3: 2 orbital resonance. However, the location of the maxima of dust densities is not as expected from theoretical models, and there is some evidence that the dust density distribution in the ring has a pattern speed that differs from the mean motion of Venus.

  2. Inhomogeneous molecular ring around the B[e] supergiant LHA 120-S 73

    NASA Astrophysics Data System (ADS)

    Kraus, M.; Cidale, L. S.; Arias, M. L.; Maravelias, G.; Nickeler, D. H.; Torres, A. F.; Borges Fernandes, M.; Aret, A.; Curé, M.; Vallverdú, R.; Barbá, R. H.

    2016-10-01

    Context. B[e] supergiants are evolved massive stars, enshrouded in a dense wind and surrounded by a molecular and dusty disk. The mechanisms that drive phases of enhanced mass loss and mass ejections, responsible for the shaping of the circumstellar material of these objects, are still unclear. Aims: We aim to improve our knowledge on the structure and dynamics of the circumstellar disk of the Large Magellanic Cloud B[e] supergiant LHA 120-S 73. Methods: High-resolution optical and near-infrared spectroscopic data were obtained over a period of 16 and 7 yr, respectively. The spectra cover the diagnostic emission lines from [Ca II] and [O I], as well as the CO bands. These features trace the disk at different distances from the star. We analyzed the kinematics of the individual emission regions by modeling their emission profiles. A low-resolution mid-infrared spectrum was obtained as well, which provides information on the composition of the dusty disk. Results: All diagnostic emission features display double-peaked line profiles, which we interpret as due to Keplerian rotation. We find that the profile of each forbidden line contains contributions from two spatially clearly distinct rings. In total, we find that LHA 120-S 73 is surrounded by at least four individual rings of material with alternating densities (or by a disk with strongly non-monotonic radial density distribution). Moreover, we find that the molecular ring must have gaps or at least strong density inhomogeneities, or in other words, a clumpy structure. The optical spectra additionally display a broad emission feature at 6160-6180 Å, which we interpret as molecular emission from TiO. The mid-infrared spectrum displays features of oxygen- and carbon-rich grain species, which indicates a long-lived, stable dusty disk. We cannot confirm the previously reported high value for the stellar rotation velocity. He I λ 5876 is the only clearly detectable pure atmospheric absorption line in our data. Its

  3. Stellar Occultations by Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Nicholson, Philip; Hedman, Matthew; French, Richard G.; Ansty, Todd

    2018-04-01

    On 15 September 2017 the Cassini mission came to an end when the spacecraft made a controlled entry into the planet's atmosphere. Over the preceding 13 years the Visual and Infrared Mapping Spectrometer (VIMS) instrument successfully observed over 170 stellar occultations by Saturn's rings, greatly increasing the available data set for high-resolution studies of the rings' structure and dynamics. Ring opening angles, B_\\ast ranged from 1.06° to 74.18°, while spacecraft ranges varied from 220,000 to 3,014,000 km. The effective radial resolution of the data is determined by a combination of Fresnel diffraction, stellar diameter and sampling rate, but is typically 150-300~m. We will briefly review the overall data set, before looking at examples of dynamical studies carried out with it over the past decade. These include modeling the geometry of self-gravity wakes in the A and B rings, evidence for viscous over-stability in the inner A ring, studies of eccentric, inclined and more complex orbital perturbations on the edges of isolated ringlets and narrow gaps, identification of density and bending waves in the C ring driven by both internal oscillations and gravity anomalies in Saturn, and the first reliable estimates of surface mass density in the central B ring.{\\bf References:} French \\etal\\ (2016a, 2016b, 2017), Hedman \\etal\\ (2007, 2010, 2014), Hedman \\& Nicholson (2013, 2014, 2016), Nicholson \\& Hedman (2010, 2016), Nicholson \\etal\\ (2014a, 2014b).

  4. Phenolic group on A-ring is key for dracoflavan B as a selective noncompetitive inhibitor of α-amylase.

    PubMed

    Toh, Zhi Siang; Wang, Hongyu; Yip, Yew Mun; Lu, Yuyun; Lim, Benedict Jeffrey Ang; Zhang, Daiwei; Huang, Dejian

    2015-12-15

    A high throughput assay was applied to guide the isolation of a new pancreatic α-amylase inhibitor, dracoflavan B, from the dragon's blood resin from Daemonorops draco. Applying C18 column, we successfully isolated both diastereomers and their structures verified by (1)H NMR spectra in comparison with the literature values. Their activity in inhibition of pancreatic α-amylase with comparable IC50 values of 23μM (A type) and 27μM (B type) that are similar to that of acarbose. Dracoflavan B shows much weaker activity in inhibiting bacterial α-amylase and no activity towards fungal α-amylase. Moreover, both isomers show no inhibitory activity towards mammalian α-glucosidase. Kinetic analysis revealed that using starch as the substrate, dracoflavan B was a non-competitive α-amylase inhibitor with a Ki value of 11.7μM. Lack of α-amylase inhibition for proanthocyanidin A2 dimer demonstrated that dracoflavan B hydrophobic nature of the B, A', C' and B' rings are important for its α-amylase inhibition. In addition, selective chemical modification studies revealed that the phenolic group is also vital to dracoflavan B for its pancreatic α-amylase inhibition activity. Without the A ring phenolic hydrogen bond donor, the derivatives of dracoflavan B showed detrimental α-amylase inhibition. On the contrary, galloylation on the A ring phenolic OH group enhanced the activity as shown by the low IC50 (12μM) against α-amylase which is 56% more potent as compared to dracoflavan B. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Pervasive adaptive protein evolution apparent in diversity patterns around amino acid substitutions in Drosophila simulans.

    PubMed

    Sattath, Shmuel; Elyashiv, Eyal; Kolodny, Oren; Rinott, Yosef; Sella, Guy

    2011-02-10

    In Drosophila, multiple lines of evidence converge in suggesting that beneficial substitutions to the genome may be common. All suffer from confounding factors, however, such that the interpretation of the evidence-in particular, conclusions about the rate and strength of beneficial substitutions-remains tentative. Here, we use genome-wide polymorphism data in D. simulans and sequenced genomes of its close relatives to construct a readily interpretable characterization of the effects of positive selection: the shape of average neutral diversity around amino acid substitutions. As expected under recurrent selective sweeps, we find a trough in diversity levels around amino acid but not around synonymous substitutions, a distinctive pattern that is not expected under alternative models. This characterization is richer than previous approaches, which relied on limited summaries of the data (e.g., the slope of a scatter plot), and relates to underlying selection parameters in a straightforward way, allowing us to make more reliable inferences about the prevalence and strength of adaptation. Specifically, we develop a coalescent-based model for the shape of the entire curve and use it to infer adaptive parameters by maximum likelihood. Our inference suggests that ∼13% of amino acid substitutions cause selective sweeps. Interestingly, it reveals two classes of beneficial fixations: a minority (approximately 3%) that appears to have had large selective effects and accounts for most of the reduction in diversity, and the remaining 10%, which seem to have had very weak selective effects. These estimates therefore help to reconcile the apparent conflict among previously published estimates of the strength of selection. More generally, our findings provide unequivocal evidence for strongly beneficial substitutions in Drosophila and illustrate how the rapidly accumulating genome-wide data can be leveraged to address enduring questions about the genetic basis of adaptation.

  6. Properties of tree rings in LSST sensors

    DOE PAGES

    Park, H. Y.; Nomerotski, A.; Tsybychev, D.

    2017-05-30

    Images of uniformly illuminated sensors for the Large Synoptic Survey Telescope have circular periodic patterns with an appearance similar to tree rings. Furthermore, these patterns are caused by circularly symmetric variations of the dopant concentration in the monocrystal silicon boule induced by the manufacturing process. Non-uniform charge density results in the parasitic electric field inside the silicon sensor, which may distort shapes of astronomical sources. Here, we analyzed data from fifteen LSST sensors produced by ITL to determine the main parameters of the tree rings: amplitude and period, and also variability across the sensors tested at Brookhaven National Laboratory. Treemore » ring pattern has a weak dependence on the wavelength. But the ring amplitude gets smaller as wavelength gets longer, since longer wavelengths penetrate deeper into the silicon. Tree ring amplitude gets larger as it gets closer to the outer part of the wafer, from 0.1 to 1.0%, indicating that the resistivity variation is larger for larger radii.« less

  7. Properties of tree rings in LSST sensors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Park, H. Y.; Nomerotski, A.; Tsybychev, D.

    Images of uniformly illuminated sensors for the Large Synoptic Survey Telescope have circular periodic patterns with an appearance similar to tree rings. Furthermore, these patterns are caused by circularly symmetric variations of the dopant concentration in the monocrystal silicon boule induced by the manufacturing process. Non-uniform charge density results in the parasitic electric field inside the silicon sensor, which may distort shapes of astronomical sources. Here, we analyzed data from fifteen LSST sensors produced by ITL to determine the main parameters of the tree rings: amplitude and period, and also variability across the sensors tested at Brookhaven National Laboratory. Treemore » ring pattern has a weak dependence on the wavelength. But the ring amplitude gets smaller as wavelength gets longer, since longer wavelengths penetrate deeper into the silicon. Tree ring amplitude gets larger as it gets closer to the outer part of the wafer, from 0.1 to 1.0%, indicating that the resistivity variation is larger for larger radii.« less

  8. Ion channel stabilization of synthetic alamethicin analogs by rings of inter-helix H-bonds.

    PubMed Central

    Molle, G; Dugast, J Y; Spach, G; Duclohier, H

    1996-01-01

    Rings of inter-helix H-bonds due to Gln at position 7, a highly conserved residue in all pore-forming peptaibols, have been suggested to play an important role in the stabilization of alamethicin channels. In an attempt to test this hypothesis, experimental studies have been undertaken on four synthetic alamethicin non-Aib analogs (Alm-dUL) in which the Gln at position 7 (Q7) is substituted by Ala, Asn, or Ser (Q7A, Q7N, or Q7S). Voltage-dependent pore formation by these analogs in planar lipid bilayers is compared at the macroscopic and single-channel conductance levels. As anticipated, the Q7A substitution abolished all channel-forming activity. The voltage dependence of macroscopic current-voltage curves was conserved with the Q7N substitution but reduced in the Q7S analog. Normalized single-channel conductance ratios between substates follow the same pattern, with the Q7S analog yielding the highest unit conductances. Channel lifetimes were the most significantly modulated parameter with markedly faster kinetics when Gln or Asn was replaced by Ser. The effect of the Q7S substitution on channel lifetimes may be explained through a reduced stabilization of bundles by inter-helix H-bonds. PMID:8785325

  9. Redetection of the Ionospheric H3+ Signature of Saturn's "Ring Rain"

    NASA Astrophysics Data System (ADS)

    O'Donoghue, James; Moore, Luke; Connerney, John E. P.; Melin, Henrik; Stallard, Tom S.; Miller, Steve; Baines, Kevin H.

    2017-12-01

    In April 2011 Saturn's midlatitude ionospheric H3+ emissions were detected, exhibiting anomalous (nonsolar) H3+ latitudinal variations consistent with the transport of water from specific locations in Saturn's rings, known as "ring rain". These products, transported to the planet along the magnetic field, may help to explain the unusual pattern of peaks and troughs in electron densities discovered in Saturn's ionosphere by spacecraft flybys. In the present study, we analyzed H3+ emissions recorded on 23 April 2013, showing for the first time since the original detection that Saturn's midlatitude H3+ emissions are indeed heavily modified. Although the 2013 emissions are dimmer by almost a factor of 3.7, the latitudinal contrast is greater and uncertainties are lower. Increased H3+ intensities were found near planetocentric latitudes of 43°, 51°, and 63°, previously identified with sources at the inner edge of the B ring, A ring, and the orbit of Enceladus and associated E ring.

  10. Precise through-space control of an abiotic electrophilic aromatic substitution reaction

    NASA Astrophysics Data System (ADS)

    Murphy, Kyle E.; Bocanegra, Jessica L.; Liu, Xiaoxi; Chau, H.-Y. Katharine; Lee, Patrick C.; Li, Jianing; Schneebeli, Severin T.

    2017-04-01

    Nature has evolved selective enzymes for the efficient biosynthesis of complex products. This exceptional ability stems from adapted enzymatic pockets, which geometrically constrain reactants and stabilize specific reactive intermediates by placing electron-donating/accepting residues nearby. Here we perform an abiotic electrophilic aromatic substitution reaction, which is directed precisely through space. Ester arms--positioned above the planes of aromatic rings--enable it to distinguish between nearly identical, neighbouring reactive positions. Quantum mechanical calculations show that, in two competing reaction pathways, both [C-H...O]-hydrogen bonding and electrophile preorganization by coordination to a carbonyl group likely play a role in controlling the reaction. These through-space-directed mechanisms are inspired by dimethylallyl tryptophan synthases, which direct biological electrophilic aromatic substitutions by preorganizing dimethylallyl cations and by stabilizing reactive intermediates with [C-H...N]-hydrogen bonding. Our results demonstrate how the third dimension above and underneath aromatic rings can be exploited to precisely control electrophilic aromatic substitutions.

  11. Gait pattern alteration by functional sensory substitution in healthy subjects and in diabetic subjects with peripheral neuropathy.

    PubMed

    Walker, S C; Helm, P A; Lavery, L A

    1997-08-01

    To evaluate the ability of diabetic and nondiabetic individuals to learn to use a lower extremity sensory substitution device to cue gait pattern changes. Case-control study. Gait laboratory. Thirty diabetic persons and 20 age- and education-matched nondiabetic controls responded to advertisements for study participation. Participants walked on a treadmill at three speeds (1, 2, and 2.5mph) with auditory sensory feedback to cue ground contact greater than 80% duration of baseline. The variables measured included gait cycle (steps per minute) and number of times per minute that any step during a trial exceeded 80% duration of ground contacted compared with a measured baseline step length for each speed. Persons in both groups were able to rapidly and significantly alter their gait patterns in response to signals from the sensory substitution device, by changing their gait cycles (nondiabetic group, F(17,124) = 5.27, p < .001; diabetic group, F(5,172) = 3.45, p < .001). Post hoc analyses showed early gait cycle modification and error reduction among both groups. The nondiabetic group learned to use the device significantly more quickly than the diabetic group during the slow (1mph, t = 3.57, p < .001) and average (2mph, t = 2.97, p < .05) trials. By the fast (2.5mph) ambulation trial, both groups were performing equally, suggesting a rapid rate of adjustment to the device. No technical failures from gait trainer malfunction occurred during the study. Diabetic persons with neuropathy effectively used lower extremity sensory substitution, and the technology is now available to manufacture a durable, effective lower extremity sensory substitution system.

  12. 40 CFR Appendix B to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Use Conditions Substitutes Application Substitute Decision Conditions Comments Electronics Cleaning w.... Electronics cleaning w/CFC-113 Dibromomethane Unacceptable High ODP; other alternatives exist. Electronics...

  13. Metacarpal synostosis: treatment with a longitudinal osteotomy and bone graft substitute interposition.

    PubMed

    Gottschalk, Hilton P; Bednar, Michael S; Moor, Molly; Light, Terry R

    2012-10-01

    To describe a case series of congenital metacarpal synostosis treated with longitudinal osteotomy and bone graft substitute interposition. We retrospectively reviewed charts of all patients with metacarpal synostosis treated with a longitudinal osteotomy and bone graft substitute interposition at 2 institutions. Radiographic and clinical appearances were analyzed at initial diagnosis, intraoperatively, and at last follow-up. A total of 10 patients (14 hands) met the inclusion criteria. Six patients (8 hands) demonstrated ring-little finger metacarpal synostosis and 4 patients (6 hands) had a middle-ring finger metacarpal synostosis. The median age at operation was 5 years (range, 2-16 y). Follow-up ranged from 1 to 14 years (average, 3 y). Associated hand anomalies included polydactyly, symbrachydactyly, and clinodactyly. Before surgery, the little finger proximal phalanx was angulated away from the middle finger metacarpal on average 46° (range, 26°-60°), and the angulation between the middle and the ring fingers averaged 43° (range, 26°-50°). Postoperative correction at 1 year was statistically significant for both ring-little finger metacarpal synostosis, average 23° (range, 10°-30°), and middle-ring finger metacarpal synostosis, average 16° (range, 5°-44°). Recurrence of digital abduction was evident in 2 patients who had middle-ring finger metacarpal synostosis. Metacarpal synostosis is an uncommon congenital hand anomaly characterized by the coalescence of 2 adjacent metacarpals. In the most common form, the ring and little finger metacarpals are associated with abduction of the small finger in an awkward position. Use of the described technique is safe and effective, yet concerns remain regarding mild persistent angulation and risk of recurrence. Congenital metacarpal synostosis may be effectively treated with a longitudinal osteotomy, realignment of component metacarpals, and interposition of bone graft substitute. When the procedure is

  14. BPM Breakdown Potential in the PEP-II B-factory Storage Ring Collider

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Weathersby, Stephen; Novokhatski, Alexander; /SLAC

    2010-02-10

    High current B-Factory BPM designs incorporate a button type electrode which introduces a small gap between the button and the beam chamber. For achievable currents and bunch lengths, simulations indicate that electric potentials can be induced in this gap which are comparable to the breakdown voltage. This study characterizes beam induced voltages in the existing PEP-II storage ring collider BPM as a function of bunch length and beam current.

  15. A synthetic approach to the fusicoccane A-B ring fragment based on a Pauson-Khand cycloaddition/Norrish type 1 fragmentation.

    PubMed

    Dake, Gregory R; Fenster, Erik E; Patrick, Brian O

    2008-09-05

    A synthetic approach to the A-B ring system within the fusicoccane family of diterpenes is presented. Key steps in this approach are a diastereoselective Pauson-Khand reaction, a Norrish 1 photofragmentation, a Charette cyclopropanation, and a ring-closing metathesis process.

  16. Deployable Fresnel Rings

    NASA Technical Reports Server (NTRS)

    Kennedy, Timothy F.; Fink, Patrick W.; Chu, Andrew W.; Lin, Gregory Y.

    2014-01-01

    Deployable Fresnel rings (DFRs) significantly enhance the realizable gain of an antenna. This innovation is intended to be used in combination with another antenna element, as the DFR itself acts as a focusing or microwave lens element for a primary antenna. This method is completely passive, and is also completely wireless in that it requires neither a cable, nor a connector from the antenna port of the primary antenna to the DFR. The technology improves upon the previous NASA technology called a Tri-Sector Deployable Array Antenna in at least three critical aspects. In contrast to the previous technology, this innovation requires no connector, cable, or other physical interface to the primary communication radio or sensor device. The achievable improvement in terms of antenna gain is significantly higher than has been achieved with the previous technology. Also, where previous embodiments of the Tri-Sector antenna have been constructed with combinations of conventional (e.g., printed circuit board) and conductive fabric materials, this innovation is realized using only conductive and non-conductive fabric (i.e., "e-textile") materials, with the possible exception of a spring-like deployment ring. Conceptually, a DFR operates by canceling the out-of-phase radiation at a plane by insertion of a conducting ring or rings of a specific size and distance from the source antenna, defined by Fresnel zones. Design of DFRs follow similar procedures to those outlined for conventional Fresnel zone rings. Gain enhancement using a single ring is verified experimentally and through computational simulation. The experimental test setup involves a microstrip patch antenna that is directly behind a single-ring DFR and is radiating towards a second microstrip patch antenna. The first patch antenna and DFR are shown. At 2.42 GHz, the DFR improves the transmit antenna gain by 8.6 dB, as shown in Figure 2, relative to the wireless link without the DFR. A figure illustrates the

  17. Substituted Phosphonic Analogues of Phenylglycine as Inhibitors of Phenylalanine Ammonia Lyase from Potatoes.

    PubMed

    Wanat, Weronika; Talma, Michał; Hurek, Józef; Pawełczak, Małgorzata; Kafarski, Paweł

    2018-06-08

    A series of phosphonic acid analogues of phenylglycine variously substituted in phenyl ring have been synthesized and evaluated for their inhibitory activity towards potato L-phenylalanine ammonia lyase. Most of the compounds appeared to act as moderate (micromolar) inhibitors of the enzyme. Analysis of their binding performed using molecular modeling have shown that they might be bound either in active site of the enzyme or in the non-physiologic site. The latter one is located in adjoining deep site nearby the to the entrance channel for substrate into active site. Copyright © 2018. Published by Elsevier B.V.

  18. Topological Probes of Monoamine Oxidases A and B in Rat Liver Mitochondria: Inhibition by TEMPO-Substituted Pargyline Analogues and Inactivation by Proteolysis†

    PubMed Central

    Wang, Jin; Edmondson, Dale E.

    2011-01-01

    TEMPO-substituted pargyline analogues differentially inhibit recombinant human Monoamine Oxidase A (MAO A) and B (MAO B) in intact yeast mitochondria suggesting these membrane-bound enzymes are located on differing faces of the mitochondrial outer membrane (Upadhyay, A. and Edmondson, D.E., Biochemistry 48, 3928, 2009). This approach is extended to the recombinant rat enzymes and to rat liver mitochondria. The differential specificities exhibited for human MAO A and MAO B by the meta- and para-amido TEMPO pargylines are not as absolute with the rat enzymes. Similar patterns of reactivity are observed for rat MAO A and B in mitochondrial outer membrane preparations expressed in Pichia pastoris or isolated from rat liver. In intact yeast mitochondria, recombinant rat MAO B is inhibited by the pargyline analogue whereas MAO A activity shows no inhibition. Intact rat liver mitochondria exhibit an opposite inhibition pattern to that observed in yeast where MAO A is inhibited and MAO B activity is unaffected. Protease inactivation studies show specificity in that MAO A is sensitive to trypsin whereas MAO B is sensitive to β-chymotrypsin. In intact mitochondrial preparations, MAO A is readily inactivated in rat liver but not in yeast on trypsin treatment and MAO B is readily inactivated by β-chymotrypsin in yeast but not in rat liver. These data show MAO A is oriented on the cytosolic face and MAO B is situated on the surface facing the intermembrane space of the mitochondrial outer membrane in rat liver. The differential mitochondrial outer membrane topology of MAO A and MAO B is relevant to their inhibition by drugs designed to be cardio-protectants or neuro-protectants. PMID:21341713

  19. Thermochemistry of Hydroxyl and Hydroperoxide Substituted Furan, Methylfuran, and Methoxyfuran.

    PubMed

    Hudzik, Jason M; Bozzelli, Joseph W

    2017-06-15

    Reaction pathways are influenced by thermochemical properties, species stability, and chemical kinetics. Understanding these factors allows for an understanding of the reaction paths and formation of intermediate species. Enthalpies of formation (ΔH f,298 ° ), entropies (S 298 ° ), heat capacities (C p (T)), oxygen-hydrogen (O-H), oxygen-oxygen (O-O), and (R-O) bond dissociation energies (BDEs) are reported for hydroxyl and hydroperoxide substituted furan, methylfuran, and methoxyfuran species. Standard enthalpies of formation for parent and radical species have been determined using density functional theory B3LYP/6-31G(d,p), B3LYP/6-311G(2d,2p), and M06-2X/6-31G(d,p) along with higher-level CBS-QB3 and CBS-APNO composite methods. Isodesmic work reactions were employed to improve accuracy by canceling error and show consistency between the levels of theory. Corresponding O-H and O-O BDEs are determined and compared to other similar structures. The stability of the furan moiety coupled with the double-bond-forming capability of the oxygen moiety results in a number of bond energies significantly lower than one might have expected. Substituted hydroperoxides are calculated to have ROO-H BDEs between 86.9 and 94.2 kcal mol -1 , and their RO-OH BDEs show a large 49 kcal mol -1 range of -2.3-46.8 kcal mol -1 . Substituted alcohols also show a wide 48 kcal mol -1 range with RO-H BDEs, ranging from 59.3 to 106.9 kcal mol -1 . Bond lengths of parent and radical species are presented to highlight potential bonds of interest leading to furan ring opening. Group additivity is discussed, and groups for substituted furan, methylfuran, and methoxyfuran species are derived. Structures, moments of inertia, vibrational frequencies, and internal rotor potentials are calculated at the B3LYP/6-31G(d,p) density functional level and are used to determine the S 298 ° and C p (T) values.

  20. Potential for tree rings to reveal spatial patterns of past drought variability across western Australia

    NASA Astrophysics Data System (ADS)

    O'Donnell, Alison J.; Cook, Edward R.; Palmer, Jonathan G.; Turney, Chris S. M.; Grierson, Pauline F.

    2018-02-01

    Proxy records have provided major insights into the variability of past climates over long timescales. However, for much of the Southern Hemisphere, the ability to identify spatial patterns of past climatic variability is constrained by the sparse distribution of proxy records. This is particularly true for mainland Australia, where relatively few proxy records are located. Here, we (1) assess the potential to use existing proxy records in the Australasian region—starting with the only two multi-century tree-ring proxies from mainland Australia—to reveal spatial patterns of past hydroclimatic variability across the western third of the continent, and (2) identify strategic locations to target for the development of new proxy records. We show that the two existing tree-ring records allow robust reconstructions of past hydroclimatic variability over spatially broad areas (i.e. > 3° × 3°) in inland north- and south-western Australia. Our results reveal synchronous periods of drought and wet conditions between the inland northern and southern regions of western Australia as well as a generally anti-phase relationship with hydroclimate in eastern Australia over the last two centuries. The inclusion of 174 tree-ring proxy records from Tasmania, New Zealand and Indonesia and a coral record from Queensland did not improve the reconstruction potential over western Australia. However, our findings suggest that the addition of relatively few new proxy records from key locations in western Australia that currently have low reconstruction skill will enable the development of a comprehensive drought atlas for the region, and provide a critical link to the drought atlases of monsoonal Asia and eastern Australia and New Zealand.

  1. Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.

    PubMed

    Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun

    2017-08-04

    Two unusual normonoterpenoid indole alkaloids rauvomine A (1) and rauvomine B (2), together with two known compounds peraksine (3) and alstoyunine A (4), were isolated from the aerial parts of Rauvolfia vomitoria. The structures with absolute configurations of 1 and 2 were elucidated by spectroscopic analysis, single-crystal X-ray diffraction, and electronic circular dichroism (ECD) calculations. Compound 2 is a novel C 18 normonoterpenoid indole alkaloid with a substituted cyclopropane ring that forms an unusual 6/5/6/6/3/5 hexcyclic rearranged ring system. The plausible biogenetic pathways of 1 and 2 were proposed. Compound 2 exhibited significant anti-inflammatory activity.

  2. Propellers in Saturn's rings

    NASA Astrophysics Data System (ADS)

    Sremcevic, M.; Stewart, G. R.; Albers, N.; Esposito, L. W.

    2013-12-01

    Theoretical studies and simulations have demonstrated the effects caused by objects embedded in planetary rings. Even if the objects are too small to be directly observed, each creates a much larger gravitational imprint on the surrounding ring material. These strongly depend on the mass of the object and range from "S" like propeller-shaped structures for about 100m-sized icy bodies to the opening of circumferential gaps as in the case of the embedded moons Pan and Daphnis and their corresponding Encke and Keeler Gaps. Since the beginning of the Cassini mission many of these smaller objects (~<500m in size) have been indirectly identified in Saturn's A ring through their propeller signature in the images. Furthermore, recent Cassini observations indicate the possible existence of objects embedded even in Saturn's B and C ring. In this paper we present evidence for the existence of propellers in Saturn's B ring by combining data from Cassini Ultraviolet Imaging Spectrograph (UVIS) and Imaging Science Subsystem (ISS) experiments. We show evidence that B ring seems to harbor two distinct populations of propellers: "big" propellers covering tens of degrees in azimuth situated in the densest part of B ring, and "small" propellers in less dense inner B ring that are similar in size and shape to known A ring propellers. The population of "big" propellers is exemplified with a single object which is observed for 5 years of Cassini data. The object is seen as a very elongated bright stripe (40 degrees wide) in unlit Cassini images, and dark stripe in lit geometries. In total we report observing the feature in images at 18 different epochs between 2005 and 2010. In UVIS occultations we observe this feature as an optical depth depletion in 14 out of 93 occultation cuts at corrotating longitudes compatible with imaging data. Combining the available Cassini data we infer that the object is a partial gap located at r=112,921km embedded in the high optical depth region of the B

  3. A stereoselective synthesis of (+)-physoperuvine using a tandem aza-Claisen rearrangement and ring closing metathesis reaction.

    PubMed

    Zaed, Ahmed M; Swift, Michael D; Sutherland, Andrew

    2009-07-07

    A stereoselective synthesis of (+)-physoperuvine, a tropane alkaloid from Physalis peruviana Linne has been developed using a one-pot tandem aza-Claisen rearrangement and ring closing metathesis reaction to form the key amino-substituted cycloheptene ring.

  4. Aromatic C=C bonds as dipolarophiles: facile reactions of uncomplexed electron-deficient benzene derivatives and other aromatic rings with a non-stabilized azomethine ylide.

    PubMed

    Lee, Sunyoung; Diab, Sonia; Queval, Pierre; Sebban, Muriel; Chataigner, Isabelle; Piettre, Serge R

    2013-05-27

    Non-stabilized azomethine ylide 4a reacts smoothly at room temperature with a variety of uncomplexed aromatic heterocycles and carbocycles on the condition that the ring contains at least one or two electron-withdrawing substituents, respectively. Aromatic substrates, including pyridine and benzene derivatives, participate as 2π components in [3+2] cycloaddition reactions and interact with one, two, or three equivalent(s) of the ylide, depending on their structure and substitution pattern. Thus, this process affords highly functionalized polycyclic structures that contain between one and three pyrrolidinyl ring(s) in useful yields. These results indicate that the site selectivity of the cycloaddition reactions strongly depends on both the nature and the positions of the substituents. In most cases, the second 1,3-dipolar reaction occurs on the opposite face to the one that contains the first pyrrolidinyl ring. DFT calculations on model compounds indicate that a concerted mechanism features a low activation barrier. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. 40 CFR 721.10130 - Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-ar-[4-[[2-(sulfooxy)ethyl]substituted]phenyl...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-dihydro-ar-[4-[[2-(sulfooxy)ethyl]substituted]phenyl]-, monosodium salt (generic). 721.10130 Section 721... Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-ar-[4-[[2-(sulfooxy)ethyl]substituted]phenyl]-, monosodium... substance identified generically as quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-ar-[4-[[2-(sulfooxy)ethyl...

  6. From Quasi-Planar B56 to Penta-Ring Tubular Ca©B56: Prediction of Metal-Stabilized Ca©B56 as the Embryo of Metal-Doped Boron α-Nanotubes

    NASA Astrophysics Data System (ADS)

    Tian, Wen-Juan; Chen, Qiang; Tian, Xin-Xin; Mu, Yue-Wen; Lu, Hai-Gang; Li, Si-Dian

    2016-11-01

    Motifs of planar metalloborophenes, cage-like metalloborospherenes, and metal-centered double-ring tubular boron species have been reported. Based on extensive first-principles theory calculations, we present herein the possibility of doping the quasi-planar C2v B56 (A-1) with an alkaline-earth metal to produce the penta-ring tubular Ca©B56 (B-1) which is the most stable isomer of the system obtained and can be viewed as the embryo of metal-doped (4,0) boron α-nanotube Ca©BNT(4,0) (C-1). Ca©BNT(4,0) (C-1) can be constructed by rolling up the most stable boron α-sheet and is predicted to be metallic in nature. Detailed bonding analyses show that the highly stable planar C2v B56 (A-1) is the boron analog of circumbiphenyl (C38H16) in π-bonding, while the 3D aromatic C4v Ca©B56 (B-1) possesses a perfect delocalized π system over the σ-skeleton on the tube surface. The IR and Raman spectra of C4v Ca©B56 (B-1) and photoelectron spectrum of its monoanion C4v Ca©B56- are computationally simulated to facilitate their spectroscopic characterizations.

  7. Analytic model for ring pattern formation by bacterial swarmers

    NASA Astrophysics Data System (ADS)

    Arouh, Scott

    2001-03-01

    We analyze a model proposed by Medvedev, Kaper, and Kopell (the MKK model) for ring formation in two-dimensional bacterial colonies of Proteus mirabilis. We correct the model to formally include a feature crucial of the ring generation mechanism: a bacterial density threshold to the nonlinear diffusivity of the MKK model. We numerically integrate the model equations, and observe the logarithmic profiles of the bacterial densities near the front. These lead us to define a consolidation front distinct from the colony radius. We find that this consolidation front propagates outward toward the colony radius with a nearly constant velocity. We then implement the corrected MKK equations in two dimensions and compare our results with biological experiment. Our numerical results indicate that the two-dimensional corrected MKK model yields smooth (rather than branched) rings, and that colliding colonies merge if grown in phase but not if grown out of phase. We also introduce a model, based on coupling the MKK model to a nutrient field, for simulating experimentally observed branched rings.

  8. Configuring pnicogen rings in skutterudites for low phonon conductivity

    NASA Astrophysics Data System (ADS)

    Uher, Ctirad

    2013-03-01

    During the past dozen or so years, skutterudites have attracted much interest as prospective thermoelectric materials for power-generation applications in the temperature range 500K - 850K. Primary interest was focused on filled forms of skutterudites where loosely-bonded filler species resonantly scatter normal phonon modes of the structure thus reducing the lattice thermal conductivity. Using this approach with multiple fillers and incorporating various forms of nanoinclusions, impressive figures of merit ZT = 1.5-1.7 have been reported with n-type filled skutterudites. Since the dominant heat-carrying modes in skutterudites are associated with vibrations of the pnicogen rings, disruptions of the ring structure by substitutional alloying should be a similarly effective approach of lowering the lattice thermal conductivity. In this talk I discuss our recent work exploring alloying configurations of pnicogen rings that yield particularly low values of the thermal conductivity. We found that compensated double-substitution (replacing two Sb atoms with one atom each from the column IV and column VI elements) is a very effective approach. Our ab initio calculations, in combination with a cluster expansion, have allowed us to identify stable alloy configurations on the Sb rings. Subsequent molecular and lattice dynamics simulations on low energy configurations established the range of atomic displacement parameters and values of the thermal conductivity. Theoretical results turned out to be in good agreement with our experimental thermal conductivity values. Combining both approaches of compensated double-substitution and filling of structural cages should be an effective way of further improving the thermoelectric figure of merit of skutterudites. Work supported by the Center for Solar and Thermal Energy Conversion, and Enegy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0000957

  9. Triphenylamine-Thienothiophene Organic Charge-Transport Molecular Materials: Effect of Substitution Pattern on their Thermal, Photoelectrochemical, and Photovoltaic Properties.

    PubMed

    Le, Thi Huong; Dao, Quang-Duy; Nghiêm, Mai-Phuong; Péralta, Sébastien; Guillot, Regis; Pham, Quoc Nghi; Fujii, Akihiko; Ozaki, Masanori; Goubard, Fabrice; Bui, Thanh-Tuân

    2018-04-25

    Two readily accessible thienothiophene-triphenylamine charge-transport materials have been synthesized by simply varying the substitution pattern of the triphenylamine groups on a central thienothiophene π-linker. The impact of the substitution pattern on the thermal, photoelectrochemical, and photovoltaic properties of these materials was evaluated and, based on theoretical and experimental studies, we found that the isomer in which the triphenylamine groups were located at the 2,5-positions of the thienothiophene core (TT-2,5-TPA) had better π-conjugation than the 3,6-isomer (TT-3,6-TPA). Whilst the thermal, morphological, and hydrophobic properties of the two materials were similar, their optoelectrochemical and photovoltaic properties were noticeably impacted. When applied as hole-transport materials in hybrid perovskite solar cells, the 2,5-isomer exhibited a power-conversion efficiency of 13.6 %, much higher than that of its 3,6-counterpart (0.7 %) under the same standard conditions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Kostant polynomials and the cohomology ring for G/B

    PubMed Central

    Billey, Sara C.

    1997-01-01

    The Schubert calculus for G/B can be completely determined by a certain matrix related to the Kostant polynomials introduced in section 5 of Bernstein, Gelfand, and Gelfand [Bernstein, I., Gelfand, I. & Gelfand, S. (1973) Russ. Math. Surv. 28, 1–26]. The polynomials are defined by vanishing properties on the orbit of a regular point under the action of the Weyl group. For each element w in the Weyl group the polynomials also have nonzero values on the orbit points corresponding to elements which are larger in the Bruhat order than w. The main theorem given here is an explicit formula for these values. The matrix of orbit values can be used to determine the cup product for the cohomology ring for G/B, using only linear algebra or as described by Lascoux and Schützenberger [Lascoux, A. & Schützenberger, M.-P. (1982) C. R. Seances Acad. Sci. Ser. A 294, 447–450]. Complete proofs of all the theorems will appear in a forthcoming paper. PMID:11038536

  11. Analyzing generic and branded substitution patterns in the Netherlands using prescription data.

    PubMed

    Pechlivanoglou, Petros; van der Veen, Willem Jan; Bos, Jens H; Postma, Maarten J

    2011-04-27

    As in other societies, pharmaceutical expenditures in the Netherlands are rising every year. As a consequence, needs for cost control are often expressed. One possible solution for cost control could come through increasing generic substitution by pharmacists. We aim to analyse the extent and nature of substitution in recent years and estimate the likelihood of generic or branded substitution in Dutch pharmacies in relation to various characteristics. We utilized a linked prescription dataset originating from a general practitioner (GP) and a pharmacy database, both from the northern Netherlands. We selected specific drugs of interest, containing about 55,000 prescriptions from 15 different classes. We used a crossed generalized linear mixed model to estimate the effects that certain patient and pharmacy characteristics as well as timing have on the likelihood that a prescription will eventually be substituted by the pharmacist. Generic substitution occurred at 25% of the branded prescriptions. Generic substitution was more likely to occur earlier in time after patent expiry and to patients that were older and more experienced in their drug use. Individually owned pharmacies had a lower probability of generic substitution compared to chain pharmacies. Oppositely, branded substitution occurred in 10% of generic prescriptions and was positively related to the patients' experience in branded use. Individually owned pharmacies were more likely to substitute a generic drug to a branded compared to other pharmacies. Antidepressant and PPI prescriptions were less prone to generic and more prone to branded substitution. Analysis of prescription substitution by the pharmacist revealed strong relations between substitution and patient experience on drug use, pharmacy status and timing. These findings can be utilised to design further strategies to enhance generic substitution.

  12. PMIX_Ring patch for SLURM

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Moody, A. T.

    2014-04-20

    This code adds an implementation of PMIX_Ring to the existing PM12 Library in the SLURM open source software package (Simple Linux Utility for Resource Management). PMIX_Ring executes a particular communication pattern that is used to bootstrap connections between MPI processes in a parallel job.

  13. Synthesis, crystal structure, and properties of new lead barium borate with B3O6 plane hexagonal rings

    NASA Astrophysics Data System (ADS)

    Zhao, Wenwu

    2017-08-01

    A new lead barium borate Ba8.02Pb0.98(B3O6)6 with B3O6 plane hexagonal rings was synthesized through spontaneous nucleation from a high-temperature solution utilizing PbO, H3BO3, and BaF2 as reagents. Its crystal structure was determined from single-crystal X-ray diffraction data and further characterized by FT-IR. It crystallizes in space group R32 and the crystallographic structure of Ba8.02Pb0.98(B3O6)6 can be described as a layer-like structure, there is stacking along the c-axis of B3O6 plane hexagonal rings with the Ba2 and Pb/Ba1 atoms alternately occupying sites between the B3O6 sheets. A comparison of the structures of Ba8.02Pb0.98(B3O6)6, PbBa2(B3O6)2 and α-BaB2O4 is presented. UV-Vis-NIR diffuse-reflectance spectrum indicates that the absorption edge of Ba8.02Pb0.98(B3O6)6 is about 399 nm.

  14. Luminescent Rings

    NASA Technical Reports Server (NTRS)

    2005-01-01

    This view shows the unlit face of Saturn's rings, visible via scattered and transmitted light. In these views, dark regions represent gaps and areas of higher particle densities, while brighter regions are filled with less dense concentrations of ring particles.

    The dim right side of the image contains nearly the entire C ring. The brighter region in the middle is the inner B ring, while the darkest part represents the dense outer B Ring. The Cassini Division and the innermost part of the A ring are at the upper-left.

    Saturn's shadow carves a dark triangle out of the lower right corner of this image.

    The image was taken in visible light with the Cassini spacecraft wide-angle camera on June 8, 2005, at a distance of approximately 433,000 kilometers (269,000 miles) from Saturn. The image scale is 22 kilometers (14 miles) per pixel.

    The Cassini-Huygens mission is a cooperative project of NASA, the European Space Agency and the Italian Space Agency. The Jet Propulsion Laboratory, a division of the California Institute of Technology in Pasadena, manages the mission for NASA's Science Mission Directorate, Washington, D.C. The Cassini orbiter and its two onboard cameras were designed, developed and assembled at JPL. The imaging operations center is based at the Space Science Institute in Boulder, Colo.

    For more information about the Cassini-Huygens mission visit http://saturn.jpl.nasa.gov . The Cassini imaging team homepage is at http://ciclops.org .

  15. Viscous Overstability in Saturn's B-Ring. II. Hydrodynamic Theory and Comparison to Simulations

    NASA Astrophysics Data System (ADS)

    Schmidt, Jürgen; Salo, Heikki; Spahn, Frank; Petzschmann, Olaf

    2001-10-01

    We investigate the viscous oscillatory instability (overstability) of an unperturbed dense planetary ring, an instability that might play a role in the formation of radial structure in Saturn's B-ring. We generalize existing hydrodynamic models by including the heat flow equation in the analysis and compare our results to the development of overstable modes in local particle simulations. With the heat flow, in addition to the balance equations for mass and momentum, we take into account the balance law for the energy of the random motion; i.e., we allow for a thermal mode in a stability analysis of the stationary Keplerian flow. We also incorporate the effects of nonlocal transport of momentum and energy on the stability of the ring. In a companion paper (Salo, H., J. Schmidt, and F. Spahn 2001. Icarus, doi:10.1006/icar.2001.6680) we describe the determination of the local and nonlocal parts of the viscosity, the heat conductivity, the pressure, as well as the collisional cooling, together with their dependences on temperature and density, in local event-driven simulations of a planetary ring. The ring's self-gravity is taken into account in these simulations by an enhancement of the frequency of vertical oscillations Ω z>Ω. We use these values as parameters in our hydrodynamic model for the comparison to overstability in simulated rings of meter-sized inelastic particles of large optical depth with Ω z/Ω=3.6. We find that the inclusion of the energy-balance equation has a stabilizing influence on the overstable modes, shifting the stability boundary to higher optical depths, and moderating the growth rates of the instability, as compared to a purely isothermal treatment. The non-isothermal model predicts correctly the growth rates and oscillation frequencies of overstable modes in the simulations, as well as the phase shifts and relative amplitudes of the perturbations in density and radial and tangential velocity.

  16. From coffee ring to spherulites ring of poly(ethylene oxide) film from drying droplet

    NASA Astrophysics Data System (ADS)

    Hu, Yinchun; Zhang, Xuerong; Qiu, Maibo; Wei, Yan; Zhou, Qiong; Huang, Di

    2018-03-01

    We discuss how the "spherulites ring" morphology and "coffee ring" profile of PEO film formed by the drying droplet at glass substrate with different heating rate. Upon increasing the heating rate of substrate, it is found that deposited PEO film from drying droplet shows the unusually observed "coffee ring" profile and "spherulites ring" morphology. The main mechanism for this phenomenon is proposed to be an enhanced Marangoni convection which is induced by the increased solute concentration gradient and reduced viscous force above 70 °C. A simple formation mechanism of the unusually observed "coffee ring" profile and "spherulites ring" morphology is proposed. These findings can be exploited to trace the center of Marangoni convection, with potential applications in designing the spherulite patterns of crystalline polymer films in ink-jet printing and self-assembly fields.

  17. A new synthetic approach to functionalize pyrimido[4,5-b]quinoline-2,4(1H,3H)-diones via a three-component one-pot reaction.

    PubMed

    Aknin, Karen; Desbène-Finck, Stéphanie; Helissey, Philippe; Giorgi-Renault, Sylviane

    2010-02-01

    Functionalized pyrimido[4,5-b]quinoline-2,4 (1H,3H)-diones were synthesized by a three-component one-pot reaction involving barbituric acid, aldehydes, and anilines. The use of commercially available anilines allowed the facile syntheses of pyrimido[4,5-b]quinolinediones substituted in all the positions on the benzene ring with electron donor or electron withdrawing groups. This straightforward method circumvents the preparation of unstable substituted 2-aminobenzaldehydes that limits the scope of previously described syntheses. Furthermore, access to the 5-substituted derivatives is now also possible starting from aliphatic or aromatic aldehydes. Our strategy and methodology offer significant and practical improvements over other methodologies.

  18. Gravitational Wakes Sizes from Multiple Cassini Radio Occultations of Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Marouf, E. A.; Wong, K. K.; French, R. G.; Rappaport, N. J.; McGhee, C. A.; Anabtawi, A.

    2016-12-01

    Voyager and Cassini radio occultation extinction and forward scattering observations of Saturn's C-Ring and Cassini Division imply power law particle size distributions extending from few millimeters to several meters with power law index in the 2.8 to 3.2 range, depending on the specific ring feature. We extend size determination to the elongated and canted particle clusters (gravitational wakes) known to permeate Saturn's A- and B-Rings. We use multiple Cassini radio occultation observations over a range of ring opening angle B and wake viewing angle α to constrain the mean wake width W and thickness/height H, and average ring area coverage fraction. The rings are modeled as randomly blocked diffraction screen in the plane normal to the incidence direction. Collective particle shadows define the blocked area. The screen's transmittance is binary: blocked or unblocked. Wakes are modeled as thin layer of elliptical cylinders populated by random but uniformly distributed spherical particles. The cylinders can be immersed in a "classical" layer of spatially uniformly distributed particles. Numerical simulations of model diffraction patterns reveal two distinct components: cylindrical and spherical. The first dominates at small scattering angles and originates from specific locations within the footprint of the spacecraft antenna on the rings. The second dominates at large scattering angles and originates from the full footprint. We interpret Cassini extinction and scattering observations in the light of the simulation results. We compute and remove contribution of the spherical component to observed scattered signal spectra assuming known particle size distribution. A large residual spectral component is interpreted as contribution of cylindrical (wake) diffraction. Its angular width determines a cylindrical shadow width that depends on the wake parameters (W,H) and the viewing geometry (α,B). Its strength constrains the mean fractional area covered (optical depth

  19. Investigation of Cr substitution in Co ferrite (CoCrxFe2-xO4) using Mossbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Krieble, K.; Lo, C. C. H.; Melikhov, Y.; Snyder, J. E.

    2006-04-01

    Substitution of other metals for Fe in cobalt ferrite has been proposed as a method to tailor the magnetic and magnetoelastic properties for sensor and actuator applications [H. Zheng et al., Science 303, 661 (2004)]. However, to understand the effect of Cr substitution, one needs atomic-level information on the local environments and interactions of the transition-metal ions. In this study, Mossbauer spectroscopy was used to investigate the local environments of the Fe atoms in these materials. A series of five powder samples with compositions CoCrxFe2-xO4 (x=0.0 to 0.8) was investigated using transmission geometry. Results show two distinct six-line hyperfine patterns, indicating Fe in A and B spinel sites. Increasing Cr concentration is seen to decrease the hyperfine field strength for both A and B sites, as well as increasing the width of those distributions. Results for Cr substitution show generally similar behavior to a prior study using Mn; however, Cr substitution has more pronounced effects: the hyperfine fields decrease and distribution widths increase at greater rates for Cr substitution, and the differences between A and B site behavior are more pronounced. Results are consistent with a model in which Cr has an even stronger B-site preference than Mn, and displaces more of the Co from the B to the A sites.

  20. Nano-crystalline phase evolution and structural modification in Co/V substituted Li2O-Bi2O3-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Yadav, Arti; Dahiya, M. S.; Hooda, A.; Agarwal, A.; Khasa, S.

    2018-05-01

    Co/V substituted Li2O-Bi2O3-B2O3 glasses having composition 7CoO•23Li2O•20Bi2O3•50B2O3(CLBB) and xCoO•(30-x)Li2O•20Bi2O3•50B2O3(x = 0.0, 2.0, 5.0, 7.0 and 10.0 mol%, CVLBB1-5 respectively) developed via melt- quench route. The effect of annealing on structural properties of prepared samples was investigated by using XRD patterns and FTIR spectroscopy. Glasses annealed at 400˚C remained amorphous whereas glasses annealed at 500˚C changes from glasses to glass ceramics. The different crystalline phases i.e. Bi2(V0.9Co0.1)O5.25, LiCoVO4, V2O5 & Bi2(VO5) evolve on annealing at 500°C for 6 hours confirmed from the corresponding XRD patterns. The crystallite size of prepared samples were found to vary as 38-60nm This indicated that CoO and V2O5 introduced in matrix act as crystallizing agents and cause structural modification as studied by the FTIR spectra for all heat treated compositions.

  1. Comparison of accelerator physics issues for symmetric and asymmetric B-factory rings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tigner, M.

    1990-10-10

    A systematic comparison of accelerator physics issues from the beam-beam interaction to single particle stability including ring and IR layout, synchrotron radiation and lost particle backgrounds, and single and multi-bunch instabilities is given. While some practical handicap probably accrues to the asymmetric design because of its extra constraints, the differences in the two approaches tend to be obscured by larger issues such as how to achieve the enormous increases in luminosity demanded of a b-factory.

  2. Planetary Rings

    NASA Astrophysics Data System (ADS)

    Tiscareno, Matthew S.

    Planetary rings are the only nearby astrophysical disks and the only disks that have been investigated by spacecraft (especially the Cassini spacecraft orbiting Saturn). Although there are significant differences between rings and other disks, chiefly the large planet/ring mass ratio that greatly enhances the flatness of rings (aspect ratios as small as 10- 7), understanding of disks in general can be enhanced by understanding the dynamical processes observed at close range and in real time in planetary rings.We review the known ring systems of the four giant planets, as well as the prospects for ring systems yet to be discovered. We then review planetary rings by type. The A, B, and C rings of Saturn, plus the Cassini Division, comprise our solar system's only dense broad disk and host many phenomena of general application to disks including spiral waves, gap formation, self-gravity wakes, viscous overstability and normal modes, impact clouds, and orbital evolution of embedded moons. Dense narrow rings are found both at Uranus (where they comprise the main rings entirely) and at Saturn (where they are embedded in the broad disk) and are the primary natural laboratory for understanding shepherding and self-stability. Narrow dusty rings, likely generated by embedded source bodies, are surprisingly found to sport azimuthally confined arcs at Neptune, Saturn, and Jupiter. Finally, every known ring system includes a substantial component of diffuse dusty rings.Planetary rings have shown themselves to be useful as detectors of planetary processes around them, including the planetary magnetic field and interplanetary impactors as well as the gravity of nearby perturbing moons. Experimental rings science has made great progress in recent decades, especially numerical simulations of self-gravity wakes and other processes but also laboratory investigations of coefficient of restitution and spectroscopic ground truth. The age of self-sustained ring systems is a matter of

  3. Structural Characterization and Impedance Spectroscopy of Substituted, Fused-Ring Organic Semiconductors

    NASA Astrophysics Data System (ADS)

    Shaw, Charles Michael

    Organic materials present a number of advantages over silicon that make them ideal candidates for modest performance devices like active matrix backplanes and RFID tags. The work detailed here describes both structural characterization of promising new materials, as well as the adaptation of impedance spectroscopy techniques to the study of organic transistors. Unit cells and solution casting behavior for dioctyl- and didodecyl-pentathienoacene are presented. Dioctyl pentathienoacene has an orthorhombic lattice with parameters a = 1.15 nm, b = 0.43 nm and c = 3.05 nm. Didodecyl pentathienoacene has an monoclinic lattice with parameters gamma = 92.2°, a = 1.10 urn, b = 0.42 nm and c = 3.89 nm. Additionally, thermotropic phase behavior is detailed. Both materials exhibit a "side chain melting" transition---characterized by a dramatic unit cell contraction of more than 20%---and smectic C liquid crystal phases. The side chain melting transition shows similarity to phase transitions elicited by exposing these materials to high energy electron flux. In both cases, disorder in the substitutions results in new phases for these materials. Dioctyl-pentathienoacene also exhibits a unique phase, which is intermediately ordered and shows a threefold increase in critical dose over the as-cast phase. Impedance spectroscopy of triisopropylsilyl pentacene transistors suggests these devices are well fit by a Voigt model equivalent circuit. The gate bias dependent resistor represents the channel conductance and the capacitor represents the drain-gate and source-gate capacitances. This in turn suggests that conduction occurs through delocalized states available in ordered regions, with disordered regions contributing localized, immobile states. Impedance spectroscopy of poly(2,5-bis(3-alkylthiophen-2-yl)thieno[3,2-b]thiophene) shows similar behavior. The use of variable temperature impedance spectroscopy is also demonstrated. This technique is used to measure the reduction in trap

  4. Particle sizes in Saturn's rings from UVIS stellar occultations 1. Variations with ring region

    NASA Astrophysics Data System (ADS)

    Colwell, J. E.; Esposito, L. W.; Cooney, J. H.

    2018-01-01

    The Cassini spacecraft's Ultraviolet Imaging Spectrograph (UVIS) includes a high speed photometer (HSP) that has observed stellar occultations by Saturn's rings with a radial resolution of ∼10 m. In the absence of intervening ring material, the time series of measurements by the HSP is described by Poisson statistics in which the variance equals the mean. The finite sizes of the ring particles occulting the star lead to a variance that is larger than the mean due to correlations in the blocking of photons due to finite particle size and due to random variations in the number of individual particles in each measurement area. This effect was first exploited by Showalter and Nicholson (1990) with the stellar occultation observed by Voyager 2. At a given optical depth, a larger excess variance corresponds to larger particles or clumps that results in greater variation of the signal from measurement to measurement. Here we present analysis of the excess variance in occultations observed by Cassini UVIS. We observe differences in the best-fitting particle size in different ring regions. The C ring plateaus show a distinctly smaller effective particle size, R, than the background C ring, while the background C ring itself shows a positive correlation between R and optical depth. The innermost 700 km of the B ring has a distribution of excess variance with optical depth that is consistent with the C ring ramp and C ring but not with the remainder of the B1 region. The Cassini Division, while similar to the C ring in spectral and structural properties, has different trends in effective particle size with optical depth. There are discrete jumps in R on either side of the Cassini Division ramp, while the C ring ramp shows a smooth transition in R from the C ring to the B ring. The A ring is dominated by self-gravity wakes whose shadow size depends on the occultation geometry. The spectral ;halo; regions around the strongest density waves in the A ring correspond to

  5. Binding of Alkali Metal Ions with 1,3,5-Tri(phenyl)benzene and 1,3,5-Tri(naphthyl)benzene: The Effect of Phenyl and Naphthyl Ring Substitution on Cation-π Interactions Revealed by DFT Study.

    PubMed

    Mirchi, Ali; Sizochenko, Natalia; Dinadayalane, Tandabany; Leszczynski, Jerzy

    2017-11-22

    The effect of substitution of phenyl and naphthyl rings to benzene was examined to elucidate the cation-π interactions involving alkali metal ions with 1,3,5-tri(phenyl)benzene (TPB) and 1,3,5-tri(naphthyl)benzene (TNB). Benzene, TPB, and four TNB isomers (with ααα, ααβ, αββ, and βββ types of fusion) and their complexes with Li + , Na + , K + , Rb + , and Cs + were optimized using DFT approach with B3LYP and M06-2X functionals in conjunction with the def2-QZVP basis set. Higher relative stability of β,β,β-TNB over α,α,α-TNB can be attributed to peri repulsion, which is defined as the nonbonding repulsive interaction between substituents in the 1- and the 8-positions on the naphthalene core. Binding energies, distances between ring centroid and the metal ions, and the distance to metal ions from the center of other six-membered rings were compared for all complexes. Our computational study reveals that the binding affinity of alkali metal cations increases significantly with the 1,3,5-trisubstitution of phenyl and naphthyl rings to benzene. The detailed computational analyses of geometries, partial charges, binding energies, and ligand organization energies reveal the possibility of favorable C-H···M + interactions when a α-naphthyl group exists in complexes of TNB structures. Like benzene-alkali metal ion complexes, the binding affinity of metal ions follows the order: Li + > Na + > K + > Rb + > Cs + for any considered 1,3,5-trisubstituted benzene systems. In case of TNB, we found that the strength of interactions increases as the fusion point changes from α to β position of naphthalene.

  6. Comparison of Detection Rate and Mutational Pattern of Drug-Resistant Mutations Between a Large Cohort of Genotype B and Genotype C Hepatitis B Virus-Infected Patients in North China.

    PubMed

    Li, Xiaodong; Liu, Yan; Xin, Shaojie; Ji, Dong; You, Shaoli; Hu, Jinhua; Zhao, Jun; Wu, Jingjing; Liao, Hao; Zhang, Xin-Xin; Xu, Dongping

    2017-06-01

    The study aimed to investigate the association of prevalent genotypes in China (HBV/C and HBV/B) with HBV drug-resistant mutations. A total of 13,847 nucleos(t)ide analogue (NA)-treated patients with chronic HBV infection from North China were enrolled. HBV genotypes and resistant mutations were determined by direct sequencing and confirmed by clonal sequencing if necessary. HBV/B, HBV/C, and HBV/D occupied 14.3%, 84.9%, and 0.8% across the study population, respectively. NA usage had no significant difference between HBV/B- and HBV/C-infected patients. Lamivudine-resistant mutations were more frequently detected in HBV/C-infected patients, compared with HBV/B-infected patients (31.67% vs. 25.26%, p < 0.01). Adefovir- and entecavir-resistant mutation detection rates were similar, but the mutational pattern was different between the two genotypes. For adefovir-resistant mutations, HBV/C-infected patients had a higher detection rate of rtA181 V (HBV/C 5.29% vs. HBV/B 1.36%, p < 0.01) and a lower detection rate of rtN236T (2.70% vs. 6.54%, p < 0.01). For entecavir-resistant mutations, HBV/C-infected patients had a higher detection rate of rtM204 V/I+T184 substitution or S202G/C (3.66% vs. 2.16%, p < 0.01) and a lower detection rate of rtM204 V/I+M250 V/I/L substitution (0.67% vs. 1.46%, p < 0.01). Multidrug-resistant mutations (defined as coexistence of mutation to nucleoside and nucleotide analogues) were detected in 104 patients. HBV/C-infected patients had a higher detection rate of multidrug-resistant mutation than HBV/B-infected patients (0.83% vs. 0.35%, p < 0.05). The study for the first time clarified that HBV/C-infected patients had a higher risk to develop multidrug-resistant mutations, compared with HBV/B-infected patients; and HBV/C- and HBV/B-infected patients had different inclinations in the ETV-resistant mutational pattern.

  7. 2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals

    DOE PAGES

    Susner, Michael A.; Conner, Benjamin S.; Saparov, Bayrammurad I.; ...

    2016-10-27

    Single crystals of (Nd 1-xCe x) 2Fe 14B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicate that (Nd 1-xCe x) 2Fe 14B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M s) and anisotropy field (H A), and Curie temperaturemore » (T C). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. In conclusion, Ce-substituted Nd 2Fe 14B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.« less

  8. The Storage Ring Proton EDM Experiment

    NASA Astrophysics Data System (ADS)

    Semertzidis, Yannis; Storage Ring Proton EDM Collaboration

    2014-09-01

    The storage ring pEDM experiment utilizes an all-electric storage ring to store ~1011 longitudinally polarized protons simultaneously in clock-wise and counter-clock-wise directions for 103 seconds. The radial E-field acts on the proton EDM for the duration of the storage time to precess its spin in the vertical plane. The ring lattice is optimized to reduce intra-beam scattering, increase the statistical sensitivity and reduce the systematic errors of the method. The main systematic error is a net radial B-field integrated around the ring causing an EDM-like vertical spin precession. The counter-rotating beams sense this integrated field and are vertically shifted by an amount, which depends on the strength of the vertical focusing in the ring, thus creating a radial B-field. Modulating the vertical focusing at 10 kHz makes possible the detection of this radial B-field by a SQUID-magnetometer (SQUID-based BPM). For a total number of n SQUID-based BPMs distributed around the ring the effectiveness of the method is limited to the N = n /2 harmonic of the background radial B-field due to the Nyquist sampling theorem limit. This limitation establishes the requirement to reduce the maximum radial B-field to 0.1-1 nT everywhere around the ring by layers of mu-metal and aluminum vacuum tube. The metho's sensitivity is 10-29 e .cm , more than three orders of magnitude better than the present neutron EDM experimental limit, making it sensitive to SUSY-like new physics mass scale up to 300 TeV.

  9. Substituted 1H-1,2,3-Triazol-4-yl-1H-pyrrolo[2,3-b]pyridines by De Novo One-Pot Ring Forming Coupling-Cyclization-Desilylation-CuAAC-Sequence.

    PubMed

    Müller, Thomas J J; Lessing, Timo; van Mark, Hauke

    2018-05-04

    Substituted 1H-1,2,3-triazol-4-yl-pyrrolo[2,3-b]pyridines are efficiently prepared by a one-pot coupling-cyclization-desilylation-CuAAC-sequence in the sense of a consecutive three-component fashion. The key feature of this novel de novo formation of azole and triazole anellation is the sequentially Pd/Cu-catalyzed process employing tri(iso-propyl)silylbutadiyne (TIPS-butadiyne) as a four-carbon building block. In addition, the sequence can be expanded in a four-component fashion also employing the in situ formation of the require azides. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Ring-patterned plasmonic photonic crystal thermal light source for miniaturized near-infrared spectrometers

    NASA Astrophysics Data System (ADS)

    Labib, Shady R.; Elsayed, Ahmed A.; Sabry, Yasser M.; Khalil, Diaa

    2018-02-01

    There is a growing number of spectroscopy applications in the near-infrared (NIR) range including gas sensing, food analysis, pharmaceutical and industrial applications that requires highly efficient, more compact and low-cost miniaturized spectrometers. One of the key components for such systems is the wideband light source that can be fabricated using Silicon technology and hence integrated with other components on the same chip. In this work, we report a ring-patterned plasmonic photonic crystal (PC) thermal light source for miniaturized near-infrared spectrometers. The design is based on silicon and tuned to achieve wavelength selectivity in the emitted spectrum. The design is optimized by using Rigorous Coupled-Wave Analysis (RCWA) simulation, which is used to compute the power reflectance and transmittance that are used to predict the emissivity of the structure. The design consists of a PC of silicon rings coated with platinum. The period of the structure is about 2 μm and the silicon is highly-doped with n-type doping level in the order of 1019-1020 cm-3 to enhance the free-carrier absorption. The ring etching depth, diameter and shell thickness are optimized to increase its emissivity within a specific wavelength range of interest. The simulation results show an emissivity exceeding 0.9 in the NIR range up to 2.5 μm, while the emissivity is decreased significantly for longer wavelengths suppressing the emission out of the range of interest, and hence increasing the efficiency for the source. The reported results open the door for black body radiation engineering in integrated silicon sources for spectrometer miniaturization.

  11. Carbonate substitution in the mineral component of bone: Discriminating the structural changes, simultaneously imposed by carbonate in A and B sites of apatite

    NASA Astrophysics Data System (ADS)

    Madupalli, Honey; Pavan, Barbara; Tecklenburg, Mary M. J.

    2017-11-01

    The mineral component of bone and other biological calcifications is primarily a carbonate substituted calcium apatite. Integration of carbonate into two sites, substitution for phosphate (B-type carbonate) and substitution for hydroxide (A-type carbonate), influences the crystal properties which relate to the functional properties of bone. In the present work, a series of AB-type carbonated apatites (AB-CAp) having varying A-type and B-type carbonate weight fractions were prepared and analyzed by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), and carbonate analysis. A detailed characterization of A-site and B-site carbonate assignment in the FTIR ν3 region is proposed. The mass fractions of carbonate in A-site and B-site of AB-CAp correlate differently with crystal axis length and crystallite domain size. In this series of samples reduction in crystal domain size correlates only with A-type carbonate which indicates that carbonate in the A-site is more disruptive to the apatite structure than carbonate in the B-site. High temperature methods were required to produce significant A-type carbonation of apatite, indicating a higher energy barrier for the formation of A-type carbonate than for B-type carbonate. This is consistent with the dominance of B-type carbonate substitution in low temperature synthetic and biological apatites.

  12. Tuning BRCA1 and BARD1 activity to investigate RING ubiquitin ligase mechanisms.

    PubMed

    Stewart, Mikaela D; Duncan, Emily D; Coronado, Ernesto; DaRosa, Paul A; Pruneda, Jonathan N; Brzovic, Peter S; Klevit, Rachel E

    2017-03-01

    The tumor-suppressor protein BRCA1 works with BARD1 to catalyze the transfer of ubiquitin onto protein substrates. The N-terminal regions of BRCA1 and BARD1 that contain their RING domains are responsible for dimerization and ubiquitin ligase activity. This activity is a common feature among hundreds of human RING domain-containing proteins. RING domains bind and activate E2 ubiquitin-conjugating enzymes to promote ubiquitin transfer to substrates. We show that the identity of residues at specific positions in the RING domain can tune activity levels up or down. We report substitutions that create a structurally intact BRCA1/BARD1 heterodimer that is inactive in vitro with all E2 enzymes. Other substitutions in BRCA1 or BARD1 RING domains result in hyperactivity, revealing that both proteins have evolved attenuated activity. Loss of attenuation results in decreased product specificity, providing a rationale for why nature has tuned BRCA1 activity. The ability to tune BRCA1 provides powerful tools for understanding its biological functions and provides a basis to assess mechanisms for rescuing the activity of cancer-associated variations. Beyond the applicability to BRCA1, we show the identity of residues at tuning positions that can be used to predict and modulate the activity of an unrelated RING E3 ligase. These findings provide valuable insights into understanding the mechanism and function of RING E3 ligases like BRCA1. © 2017 The Protein Society.

  13. Cassini First Diametric Radio Occultation of Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Marouf, E.; French, R.; Rappaport, N.; Kliore, A.; Flasar, M.; Nagy, A.; Ambrosini, R.; McGhee, C.; Schinder, P.; Anabtawi, A.; Barbinis, E.; Goltz, G.; Thomson, F.; Wong, K.

    2005-05-01

    We present preliminary results expected from the first planned Cassini radio occultation observation of Saturn's rings, to be conducted on May 3rd, 2005. The path of Cassini as seen from Earth (the occultation track) has been designed to cross the rings from the west to the east ansa almost diametrically, allowing for occultation of all major ring features at two widely separated longitudes (about 180 deg apart). The duration of the geometric occultation is about 1.5 hours on each side. During the occultation, Cassini transmits through the rings three coherent monochromatic radio signals of wavelength 0.94, 3.6, and 13 cm (Ka-, X-, and S-band respectively), a capability unique to Cassini. The perturbed signals received at the Earth are recorded at the NASA DSN complexes at Goldstone and Canberra. Both direct and forward-scattered components of the signal may be identified in spectrograms of the received signals. The time history of the extinction of the direct signal is expected to yield high-spatial-resolution optical depth and phase shift profiles of ring structure. The timing of the occultation was optimized to allow probing the rings when the ring-opening-angle B (the angle between the line-of-sight and the ring plane) is relatively large (B = 23 deg), hence maximizing chances of measuring for the first time the structure of the relatively optically thick Ring B. In a similar experiment by Voyager in 1980, excessive signal attenuation along the long path within the nearly closed rings (B = 5.9 deg) limited the utility of the observations in relatively thick ring regions, in particular the main Ring B. For the Cassini optimized occultation geometry, a large B, slow radial velocity along the occultation track, and much improved phase stability of the reference ultrastable oscillator (USO) on board Cassini combine to promise achievable radial resolution approaching 100 m over a good fraction of the rings. Measurement of the amplitude and phase of the diffracted

  14. Synthesis, antimicrobial, and antiproliferative activities of substituted phenylfuranylnicotinamidines

    PubMed Central

    Youssef, Magdy M; Arafa, Reem K; Ismail, Mohamed A

    2016-01-01

    This research work deals with the design and synthesis of a series of substituted phenylfuranylnicotinamidines 4a–i. Facile preparation of the target compounds was achieved by Suzuki coupling-based synthesis of the nitrile precursors 3a–i, followed by their conversion to the corresponding nicotinamidines 4a–i utilizing LiN(TMS)2. The antimicrobial activities of the newly synthesized nicotinamidine derivatives were evaluated against the Gram-negative bacterial strains Escherichia coli and Pseudomonas aeruginosa as well as the Gram-positive bacterial strains Staphylococcus aureus and Bacillus megaterium. The minimum inhibitory concentration values of nicotinamidines against all tested microorganisms were in the range of 10–20 μM. In specific, compounds 4a and 4b showed excellent minimum inhibitory concentration values of 10 μM against Staphylococcus aureus bacterial strain and were similar to ampicillin as an antibacterial reference. On the other hand, selected nicotinamidine derivatives were biologically screened for their cytotoxic activities against a panel of 60 cell lines representing nine types of human cancer at a single high dose at National Cancer Institute, Bethesda, MD, USA. Nicotinamidines showing promising activities were further assessed in a five-dose screening assay to determine their compound concentration causing 50% growth inhibition of tested cell (GI50), compound concentration causing 100% growth inhibition of tested cell (TGI), and compound concentration causing 50% lethality of tested cell (LC50) values. Structure-activity relationship studies demonstrated that the activity of members of this series can be modulated from cytostatic to cytotoxic based on the substitution pattern/nature on the terminal phenyl ring. The most active compound was found to be 4e displaying a submicromolar GI50 value of 0.83 μM, with TGI and LC50 values of 2.51 and 100 μM, respectively. Finally, the possible underlying mechanism of action of this series of

  15. Saturn Ring Data Analysis and Thermal Modeling

    NASA Technical Reports Server (NTRS)

    Dobson, Coleman

    2011-01-01

    CIRS, VIMS, UVIS, and ISS (Cassini's Composite Infrared Specrtometer, Visual and Infrared Mapping Spectrometer, Ultra Violet Imaging Spectrometer and Imaging Science Subsystem, respectively), have each operated in a multidimensional observation space and have acquired scans of the lit and unlit rings at multiple phase angles. To better understand physical and dynamical ring particle parametric dependence, we co-registered profiles from these three instruments, taken at a wide range of wavelengths, from ultraviolet through the thermal infrared, to associate changes in ring particle temperature with changes in observed brightness, specifically with albedos inferred by ISS, UVIS and VIMS. We work in a parameter space where the solar elevation range is constrained to 12 deg - 14 deg and the chosen radial region is the B3 region of the B ring; this region is the most optically thick region in Saturn's rings. From this compilation of multiple wavelength data, we construct and fit phase curves and color ratios using independent dynamical thermal models for ring structure and overplot Saturn, Saturn ring, and Solar spectra. Analysis of phase curve construction and color ratios reveals thermal emission to fall within the extrema of the ISS bandwidth and a geometrical dependence of reddening on phase angle, respectively. Analysis of spectra reveals Cassini CIRS Saturn spectra dominate Cassini CIRS B3 Ring Spectra from 19 to 1000 microns, while Earth-based B Ring Spectrum dominates Earth-based Saturn Spectrum from 0.4 to 4 microns. From our fits we test out dynamical thermal models; from the phase curves we derive ring albedos and non-lambertian properties of the ring particle surfaces; and from the color ratios we examine multiple scattering within the regolith of ring particles.

  16. Coercivity enhancement mechanism in Dy-substituted Nd-Fe-B nanoparticles synthesized by sol-gel base method followed by a reduction-diffusion process

    NASA Astrophysics Data System (ADS)

    Rahimi, Hamed; Ghasemi, Ali; Mozaffarinia, Reza; Tavoosi, Majid

    2017-05-01

    In current work, Nd15-xDyxFe77.5B7.5 (at%) nanoparticles with different Dy-content (x=0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0) were synthesized by sol-gel method followed by a reduction-diffusion process. The effects of Dy on the magnetic properties and the relations between the microstructure and the coercivity of Dy-substituted Nd-Fe-B nanoparticles have been studied. The coercivity of Nd-Fe-B nanoparticles with the addition of Dy first increase, reaches a maximum, and then starts to decrease. The coercivity of Dy-substituted Nd-Fe-B nanoparticle synthesized by sol-gel method increased from 938.9 to 1663.9 kA/m while the remanence decreased slightly from 1.16 to 1.06 T. The results show that with an increase in Dy content the variation of maximum energy product ((BH)max), lowest-order uniaxial magnetocrystalline anisotropy constant (Ku1), and Curie temperature (Tc) had a trend as same as the coercivity. The Henkel plot showed that the existence of exchange coupling interaction between grains, and the exchange coupling interactions increased with increasing x from 0.0 to 2.0 and then decrease with further increasing x≥2.5. The optimum magnetic properties of Nd-Fe-B nanoparticles with (BH)max =40.38 MGOe, Hc=1663.9 kA/m, Br=1.08 T were obtained by substituted 2.0 at% Dy. The effects of increasing temperature on magnetic properties of Dy-substituted Nd-Fe-B nanoparticle magnets with 2.0 at% Dy was investigated. The reduced spin-reorientation temperature was obtained for Dy-substituted Nd-Fe-B nanoparticles with 2.0 at% Dy. Below 100 K a spin-reorientation transition was takes place. The temperature coefficient of coercivity (β) was -0.36, -0.46, -0.41, -0.34, -0.29, -0.24, -0.25%/°C at different temperature 50, 100, 150, 200, 250, 300, 350 °C, respectively. Mössbauer spectroscopy was applied to study the composition and properties of Dy-substituted Nd-Fe-B magnet. Microstructure analysis showed a homogeneous distribution of Dy in produced samples. The possible

  17. Effect of lattice strain on structural and magnetic properties of Ca substituted barium hexaferrite

    NASA Astrophysics Data System (ADS)

    Kumar, Sunil; Supriya, Sweety; Pandey, Rabichandra; Pradhan, Lagen Kumar; Singh, Rakesh Kumar; Kar, Manoranjan

    2018-07-01

    The calcium (Ca2+) substituted M-type barium hexaferrite (Ba1-xCaxFe12O19) for Ca2+ (x = 0.00, 0.025, 0.050, 0.075, 0.100, 0.150, and 0.200) have been synthesized by the citrate sol-gel method. The X-ray diffraction (XRD) patterns with Rietveld refinement reveal the formation of hexagonal crystal structure with P63/mmc space group. The lattice parameters a = b and c decrease, whereas lattice strain found to increase with the increase in Ca concentration in the samples. The analysis of Raman spectra well supports the XRD patterns analysis. The average particle size is obtained from the FE-SEM (Field Emission Scanning Electron Microscopy) micrographs and these are similar to that of crystallite size obtained from the XRD pattern analysis. The saturation magnetization and magnetocrystalline anisotropy have been obtained by employing the "Law of Approach (LA) to Saturation magnetization" technique at room temperature. The saturation magnetization and magnetocrystalline anisotropy constant are maximum for 5% Ca substitution in barium hexaferrite. It could be due to lattice strain mediated magnetism. However, these magnetic properties decrease for more than the 5% Ca substitution in barium hexaferrite. It could be due to decrease of magnetic exchange interaction (Fe-O-Fe) in the sample. A correlation between magnetic interaction and lattice strain has been observed in Ca2+ substituted M-type barium hexaferrite.

  18. Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach

    NASA Astrophysics Data System (ADS)

    Leenaraj, D. R.; Manimaran, D.; Joe, I. Hubert

    2016-11-01

    Acemetacin is a non-opioid analgesic which belongs to the class, the non-steroidal anti-inflammatory drug. The bioactive conformer was identified through potential energy surface scan studies. Spectral features of acemetacin have been probed by the techniques of Fourier transform infrared, Raman and Nuclear magnetic resonance combined with density functional theory calculations at the B3LYP level with 6-311 + G(d,p) basis set. The detailed interpretation of vibrational spectral assignments has been carried out on the basis of potential energy distribution method. Geometrical parameters reveal that the carbonyl substitution in between chlorophenyl and indole ring leads to a significant loss of planarity. The red-shifted Cdbnd O stretching wavenumber describe the conjugation between N and O atoms. The shifted Csbnd H stretching wavenumbers of Osbnd CH3 and Osbnd CH2 groups depict the back-donation and induction effects. The substitution of halogen atoms on the title molecule influences the charge distribution and the geometrical parameters. Drug activity and binding affinity of halogen substitution in title molecule with target protein were undertaken by molecular docking study. This study enlightens the effects of bioefficiency due to the halogen substitution in the molecule.

  19. A Group Action Method for Construction of Strong Substitution Box

    NASA Astrophysics Data System (ADS)

    Jamal, Sajjad Shaukat; Shah, Tariq; Attaullah, Atta

    2017-06-01

    In this paper, the method to develop cryptographically strong substitution box is presented which can be used in multimedia security and data hiding techniques. The algorithm of construction depends on the action of a projective general linear group over the set of units of the finite commutative ring. The strength of substitution box and ability to create confusion is assessed with different available analyses. Moreover, the ability of resistance against malicious attacks is also evaluated. The substitution box is examined by bit independent criterion, strict avalanche criterion, nonlinearity test, linear approximation probability test and differential approximation probability test. This substitution box is equated with well-recognized substitution boxes such as AES, Gray, APA, S8, prime of residue, Xyi and Skipjack. The comparison shows encouraging results about the strength of the proposed box. The majority logic criterion is also calculated to analyze the strength and its practical implementation.

  20. How does the blue-ringed octopus (Hapalochlaena lunulata) flash its blue rings?

    PubMed

    Mäthger, Lydia M; Bell, George R R; Kuzirian, Alan M; Allen, Justine J; Hanlon, Roger T

    2012-11-01

    The blue-ringed octopus (Hapalochlaena lunulata), one of the world's most venomous animals, has long captivated and endangered a large audience: children playing at the beach, divers turning over rocks, and biologists researching neurotoxins. These small animals spend much of their time in hiding, showing effective camouflage patterns. When disturbed, the octopus will flash around 60 iridescent blue rings and, when strongly harassed, bite and deliver a neurotoxin that can kill a human. Here, we describe the flashing mechanism and optical properties of these rings. The rings contain physiologically inert multilayer reflectors, arranged to reflect blue-green light in a broad viewing direction. Dark pigmented chromatophores are found beneath and around each ring to enhance contrast. No chromatophores are above the ring; this is unusual for cephalopods, which typically use chromatophores to cover or spectrally modify iridescence. The fast flashes are achieved using muscles under direct neural control. The ring is hidden by contraction of muscles above the iridophores; relaxation of these muscles and contraction of muscles outside the ring expose the iridescence. This mechanism of producing iridescent signals has not previously been reported in cephalopods and we suggest that it is an exceptionally effective way to create a fast and conspicuous warning display.

  1. Negative plant soil feedback explaining ring formation in clonal plants.

    PubMed

    Cartenì, Fabrizio; Marasco, Addolorata; Bonanomi, Giuliano; Mazzoleni, Stefano; Rietkerk, Max; Giannino, Francesco

    2012-11-21

    Ring shaped patches of clonal plants have been reported in different environments, but the mechanisms underlying such pattern formation are still poorly explained. Water depletion in the inner tussocks zone has been proposed as a possible cause, although ring patterns have been also observed in ecosystems without limiting water conditions. In this work, a spatially explicit model is presented in order to investigate the role of negative plant-soil feedback as an additional explanation for ring formation. The model describes the dynamics of the plant biomass in the presence of toxicity produced by the decomposition of accumulated litter in the soil. Our model qualitatively reproduces the emergence of ring patterns of a single clonal plant species during colonisation of a bare substrate. The model admits two homogeneous stationary solutions representing bare soil and uniform vegetation cover which depend only on the ratio between the biomass death and growth rates. Moreover, differently from other plant spatial patterns models, but in agreement with real field observations of vegetation dynamics, we demonstrated that the pattern dynamics always lead to spatially homogeneous vegetation covers without creation of stable Turing patterns. Analytical results show that ring formation is a function of two main components, the plant specific susceptibility to toxic compounds released in the soil by the accumulated litter and the decay rate of these same compounds, depending on environmental conditions. These components act at the same time and their respective intensities can give rise to the different ring structures observed in nature, ranging from slight reductions of biomass in patch centres, to the appearance of marked rings with bare inner zones, as well as the occurrence of ephemeral waves of plant cover. Our results highlight the potential role of plant-soil negative feedback depending on decomposition processes for the development of transient vegetation patterns

  2. Surface roughness of Saturn's rings and ring particles inferred from thermal phase curves

    NASA Astrophysics Data System (ADS)

    Morishima, Ryuji; Turner, Neal J.; Spilker, Linda

    2017-10-01

    We analyze thermal phase curves of all the main rings of Saturn (the A, B, C rings, and the Cassini division) measured by both the far-IR and mid-IR detectors of the Cassini Composite InfraRed Spectrometer (CIRS). All the rings show temperature increases toward zero phase angle, known as an opposition effect or thermal beaming. For the C ring and Cassini division, which have low optical depths, intra-particle shadowing is considered the dominant mechanism causing the effect. On the other hand, the phase curves of the optically thick B and A rings steepen significantly with decreasing absolute solar elevation angle from 21° to 14°, suggesting inter-particle shadowing plays an important role in these rings. We employ an analytic roughness model to estimate the degrees of surface roughness of the rings or ring particles. For optically thin rings, an isolated particle covered by spherical segment craters is employed while for the thick rings we approximate a packed particle layer as a slab covered by craters. The particles in the thin rings are found to have generally rough surfaces, except in the middle C ring. Across the C ring, the optical depth correlates with the degree of surface roughness. This may indicate that surface roughness comes mainly from particle clumping, while individual particles have rather smooth surfaces. For the optically thick rings, the surface roughness of the particle layer is found to be moderate. The modeled phase curves of optically thick rings are shallow if the phase angle change is primarily due to change of observer azimuthal angle. On the other hand, the phase curves are steep if the phase angle change is due to change of observer elevation angle, as inter-particle shadows become visible at higher observer elevation. In addition, the area of shadowed facets increases with decreasing solar elevation angle. These combined effects explain the large seasonal change of the phase curve steepness observed for the thick rings. The degrees

  3. Surface roughness of Saturn's rings and ring particles inferred from thermal phase curves

    NASA Astrophysics Data System (ADS)

    Morishima, Ryuji; Turner, Neal; Spilker, Linda

    2017-10-01

    We analyze thermal phase curves of all the main rings of Saturn (the A, B, C rings, and the Cassini division) measured by both the far-IR and mid-IR detectors of the Cassini Composite InfraRed Spectrometer (CIRS). All the rings show temperature increases toward zero phase angle, known as an opposition effect or thermal beaming. For the C ring and Cassini division, which have low optical depths, intra-particle shadowing is considered the dominant mechanism causing the effect. On the other hand, the phase curves of the optically thick B and A rings steepen significantly with decreasing absolute solar elevation angle from 21° to 14°, suggesting inter-particle shadowing plays an important role in these rings. We employ an analytic roughness model to estimate the degrees of surface roughness of the rings or ring particles. For optically thin rings, an isolated particle covered by spherical segment craters is employed while for the thick rings we approximate a packed particle layer as a slab covered by craters. The particles in the thin rings are found to have generally rough surfaces, except in the middle C ring. Across the C ring, the optical depth correlates with the degree of surface roughness. This may indicate that surface roughness comes mainly from particle clumping, while individual particles have rather smooth surfaces. For the optically thick rings, the surface roughness of the particle layer is found to be moderate. The modeled phase curves of optically thick rings are shallow if the phase angle change is primarily due to change of observer azimuthal angle. On the other hand, the phase curves are steep if the phase angle change is due to change of observer elevation angle, as inter-particle shadows become visible at higher observer elevation. In addition, the area of shadowed facets increases with decreasing solar elevation angle. These combined effects explain the large seasonal change of the phase curve steepness observed for the thick rings. The degrees

  4. Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Hudgins, Douglas M.; Sandford, Scott A.; Allamandola, Louis J.; Arnold, James O. (Technical Monitor)

    1997-01-01

    Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of amethyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H stretch and C-N stretch (near 2200/cm), respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron withdrawing group induces sufficient partial charge on the ring to give the neutral molecule characteristics of the anthracene cation spectrum. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

  5. Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems.

    PubMed

    Oziminski, Wojciech P; Krygowski, Tadeusz M

    2011-03-01

    Electronic structure of 22 monosubstituted derivatives of benzene and exocyclically substituted fulvene with substituents: B(OH)(2), BH(2), CCH, CF(3), CH(3), CHCH(2), CHO, Cl, CMe(3), CN, COCH(3), CONH(2), COOH, F, NH(2), NMe(2), NO, NO(2), OCH(3), OH, SiH(3), SiMe(3) were studied theoretically by means of Natural Bond Orbital analysis. It is shown, that sum of π-electron population of carbon atoms of the fulvene and benzene rings, pEDA(F) and pEDA(B), respectively correlate well with Hammett substituent constants [Formula in text] and aromaticity index NICS. The substituent effect acting on pi-electron occupation at carbon atoms of the fulvene ring is significantly stronger than in the case of benzene. Electron occupations of ring carbon atoms (except C1) in fulvene plotted against each other give linear regressions with high correlation coefficients. The same is true for ortho- and para-carbon atoms in benzene. Positive slopes of the regressions indicate similar for fulvene and benzene kind of substituent effect - mostly resonance in nature. Only the regressions of occupation at the carbon atom in meta- position of benzene against ortho- and para-positions gives negative slopes and low correlation coefficients.

  6. Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor.

    PubMed

    Moloney, G P; Martin, G R; Mathews, N; Milne, A; Hobbs, H; Dodsworth, S; Sang, P Y; Knight, C; Williams, M; Maxwell, M; Glen, R C

    1999-07-15

    The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2-benzylamide side chain have been explored. Several compounds were identified which exhibited affinity at the vascular 5-HT(1B)-like receptor of pK(B) > 7.0, up to 100-fold selectivity over alpha(1)-adrenoceptor affinity and 5-HT(2A) receptor affinity, and which exhibited a favorable pharmacokinetic profile. N-Benzyl-3-[2-(dimethylamino)ethyl]-5-[2-(4,4-dimethyl-2, 5-dioxo-1-imidazolidinyl)ethyl]-1H-indole-2-carboxamide (23) was identified as a highly potent, silent (as judged by the inability of angiotensin II to unmask 5-HT(1B)-like receptor-mediated agonist activity in the rabbit femoral artery), and competitive vascular 5-HT(1B)-like receptor antagonist with a plasma elimination half-life of approximately 4 h in dog plasma and with good oral bioavailability. The selectivity of compounds from this series for the vascular 5-HT(1B)-like receptors over other receptor subtypes is discussed as well as a proposed mode of binding to the receptor pharmacophore. It has been proposed that the aromatic ring of the 2, N-benzylcarboxamide group can occupy an aromatic binding site rather than the indole ring. The resulting conformation allows an amine-binding site to be occupied by the ethylamine nitrogen and a hydrogen-bonding site to be occupied by one of the hydantoin carbonyls. The electronic nature of the 2,N-benzylcarboxamide aromatic group as well as the size of substituents on this aromatic group is crucial for producing potent and selective antagonists. The structural requirement on the 3-ethylamine side chain incorporating the protonatable nitrogen is achieved by the bulky 2, N-benzylcarboxamide group and its close proximity to the 3-side chain.

  7. Patterns from drying drops.

    PubMed

    Sefiane, Khellil

    2014-04-01

    The objective of this review is to investigate different deposition patterns from dried droplets of a range of fluids: paints, polymers and biological fluids. This includes looking at mechanisms controlling the patterns and how they can be manipulated for use in certain applications such as medical diagnostics and nanotechnology. This review introduces the fundamental properties of droplets during evaporation. These include profile evolution (constant contact angle regime (CCAR) and constant radius regime (CRR)) and the internal flow (Marangoni and Capillary flow (Deegan et al. [22])). The understanding of these processes and the basic physics behind the phenomenon are crucial to the understanding of the factors influencing the deposition patterns. It concludes with the applications that each of these fluids can be used in and how the manipulation of the deposition pattern is useful. The most commonly seen pattern is the coffee-ring deposit which can be seen frequently in real life from tea/coffee stains and in water colour painting. This is caused by an outward flow known as capillary flow which carries suspended particles out to the edge of the wetted area. Other patterns that were found were uniform, central deposits and concentric rings which are caused by inward Marangoni flow. Complex biological fluids displayed an array of different patterns which can be used to diagnose patients. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Transparent arrays of silver nanowire rings driven by evaporation of sessile droplets

    NASA Astrophysics Data System (ADS)

    Wang, Xiaofeng; Kang, Giho; Seong, Baekhoon; Chae, Illkyeong; Teguh Yudistira, Hadi; Lee, Hyungdong; Kim, Hyunggun; Byun, Doyoung

    2017-11-01

    A coffee-ring pattern can be yielded on the three-phase contact line following evaporation of sessile droplets with suspended insoluble solutes, such as particles, DNA molecules, and mammalian cells. The formation of such coffee-ring, together with their suppression has been applied in printing and coating technologies. We present here an experimental study on the assembly of silver nanowires inside an evaporating droplet of a colloidal suspension. The effects of nanowire length and concentration on coffee-ring formation of the colloidal suspension were investigated. Several sizes of NWs with an aspect ratio between 50 and 1000 were systematically investigated to fabricate coffee-ring patterns. Larger droplets containing shorter nanowires formed clearer ring deposits after evaporation. An order-to-disorder transition of the nanowires’ alignment was found inside the rings. A printing technique with the evaporation process enabled fabrication of arrays of silver nanowire rings. We could manipulate the patterns silver nanowire rings, which might be applied to the transparent and flexible electrode.

  9. A Robust Current Pattern for the Detection of Intraventricular Hemorrhage in Neonates Using Electrical Impedance Tomography

    PubMed Central

    Tang, T.; Oh, Sungho; Sadleir, R. J.

    2010-01-01

    We compared two 16-electrode electrical impedance tomography (EIT) current patterns on their ability to reconstruct and quantify small amounts of bleeding inside a neonatal human head using both simulated and phantom data. The current patterns used were an adjacent injection RING pattern (with electrodes located equidistantly on the equator of a sphere) and an EEG current pattern based on the 10–20 EEG electrode layout. Structures mimicking electrically important structures in the infant skull were included in a spherical numerical forward model and their effects on reconstructions were determined. The EEG pattern was found to be a better topology to localize and quantify anomalies within lateral ventricular regions. The RING electrode pattern could not reconstruct anomaly location well, as it could not distinguish different axial positions. The quantification accuracy of the RING pattern was as good as the EEG pattern in noise-free environments. However, the EEG pattern showed better quantification ability than the RING pattern when noise was added. The performance of the EEG pattern improved further with respect to the RING pattern when a fontanel was included in forward models. Significantly better resolution and contrast of reconstructed anomalies was achieved when generated from a model containing such an opening and 50 dB added noise. The EEG method was further applied to reconstruct data from a realistic neonatal head model. Overall, acceptable reconstructions and quantification results were obtained using this model and the homogeneous spherical forward model. PMID:20238166

  10. New carbocyclic N(6)-substituted adenine and pyrimidine nucleoside analogues with a bicyclo[2.2.1]heptane fragment as sugar moiety; synthesis, antiviral, anticancer activity and X-ray crystallography.

    PubMed

    Tănase, Constantin I; Drăghici, Constantin; Cojocaru, Ana; Galochkina, Anastasia V; Orshanskaya, Jana R; Zarubaev, Vladimir V; Shova, Sergiu; Enache, Cristian; Maganu, Maria

    2015-10-01

    New nucleoside analogues with an optically active bicyclo[2.2.1]heptane skeleton as sugar moiety and 6-substituted adenine were synthesized by alkylation of 6-chloropurine intermediate. Thymine and uracil analogs were synthesized by building the pyrimidine ring on amine 1. X-ray crystallography confirmed an exo-coupling of the thymine to the ring and an L configuration of the nucleoside analogue. The library of compounds was tested for their inhibitory activity against influenza virus A∖California/07/09 (H1N1)pdm09 and coxsackievirus B4 in cell culture. Compounds 13a and 13d are the most promising for their antiviral activity against influenza, and compound 3c against coxsackievirus B4. Compounds 3b and 3g were tested for anticancer activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Methyl substituted polyimides containing carbonyl and ether connecting groups

    NASA Technical Reports Server (NTRS)

    Hergenrother, Paul M. (Inventor); Havens, Stephen J. (Inventor)

    1992-01-01

    Polyimides were prepared from the reaction of aromatic dianhydrides with novel aromatic diamines having carbonyl and ether groups connecting aromatic rings containing pendant methyl groups. The methyl substituent polyimides exhibit good solubility and form tough, strong films. Upon exposure to ultraviolet irradiation and/or heat, the methyl substituted polyimides crosslink to become insoluble.

  12. Pair Past the Rings

    NASA Image and Video Library

    2010-03-04

    Two of Saturn moons orbit beyond four of the planet rings in this image from NASA Cassini spacecraft. From the top right of the picture are the C, B , A, and thin F rings, the small moon Pandora and, near the middle of the image, the moon Enceladus.

  13. Drought frequency in central California since 101 B.C. recordered in giant sequoia tree rings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hughes, M.K.; Brown, P.M.

    1992-01-01

    Well replicated tree-ring width index chronologies have been developed for giant sequoia at three sites in the Sierra Nevada, California. Extreme low-growth events in these chronologies correspond with regional drought events in the twentieth century in the San Joaquin drainage, in which the giant sequoia sites are located. This relationship is based upon comparison of tree-ring indices with August Palmer Drought Severity Indices for California Climate Division 5. Ring-width indices in the lowest decile from each site were compared. The frequency of low-growth events which occurred at all three sites in the same year is reconstructed from 101 B.C. tomore » A.D. 1988. The inferred frequency of severe drought events changes through time, sometimes suddenly. The period from roughly 1850 to 1950 had one of the lowest frequencies of drought of any one hundred year period in the 2089 year record. The twentieth century so far has had a below-average frequency of extreme droughts. 26 refs., 6 figs., 1 tab.« less

  14. The Rings of Saturn

    NASA Astrophysics Data System (ADS)

    Cuzzi, J. N.; Filacchione, G.; Marouf, E. A.

    2018-03-01

    One could become an expert on Saturn's iconic rings pretty easily in the early 1970s, as very little was known about them beyond the distinction between the A, B, and C rings, and the Cassini Division or "gap" between rings A and B (Alexander, 1962; Bobrov, 1970). Water ice was discovered spectroscopically on the ring particle surfaces, and radar and microwave emission observations proved that the particles must be centimeters to meters in size, consisting primarily, not just superficially, of water ice (Pollack, 1975). While a 2:1 orbital resonance with Mimas had long been suspected of having something to do with the Cassini Division, computers of the time were unable to model the subtle dynamical effects that we now know to dominate ring structure. This innocent state of affairs was exploded by the Voyager 1 and 2 encounters in 1980 and 1981. Spectacular images revealed filigree structure and odd regional color variations, and exquisitely detailed radial profiles of fluctuating particle abundance were obtained from the first stellar and radio occultations, having resolution almost at the scale of single particles. Voyager-era understanding was reviewed by Cuzzi et al. (1984) and Esposito et al. (1984). While the Voyager data kept ring scientists busy for decades, planning which led to the monumentally successful NASA-ESA-ASI Cassini mission, which arrived in 2004, had been under way even before Voyager got to Saturn. A review of pre-Cassini knowledge of Saturn's Rings can be found in Orton et al. (2009). This chapter will build on recent topical and process-specific reviews that treat the gamut of ring phenomena and its underlying physics in considerable detail (Colwell et al., 2009; Cuzzi et al., 2009; Horányi et al., 2009; Schmidt et al., 2009; Esposito, 2010; Tiscareno, 2013b; Esposito, 2014). We will follow and extend the general organization of Cuzzi et al. (2010), the most recent general discussion of Saturn's rings. For brevity and the benefit of the

  15. Synthesis of alkyl-substituted six-membered lactones through ring-closing metathesis of homoallyl acrylates. An easy route to pyran-2-ones, constituents of tobacco flavor.

    PubMed

    D'Annibale, Andrea; Ciaralli, Laura; Bassetti, Mauro; Pasquini, Chiara

    2007-08-03

    The ring-closing metathesis (RCM) reactions of homoallylic acrylates bearing alkyl substituents on various positions of their skeleton afford the corresponding pentenolides in the presence of carbene ruthenium catalysts. For R3 = R4 = H, or R3 = Me, R4 = H, the reactions are catalyzed by complex [RuCl2(PCy3)2(=CHPh)], while a second-generation Grubbs catalyst is required when R3 = H and R4 = Me, R3 = R4 = Me, or R3 = i-Pr and R4 = H. Alkyl substitution at the homoallylic carbon (R1, R2) increases the yield of the reaction when both the acrylic and/or homoallylic double bonds are methyl-substituted. The interaction of the catalyst with the substrate in the initiation stage involves the homoallylic double bond rather than the acrylic moiety, and the resulting alkylidene species from the first-generation Grubbs catalyst can be observed by 1H and 31P NMR. The racemic tobacco constituents 4-isopropyl-5,6-dihydropyran-2-one and 4-isopropyltetrahydropyran-2-one are prepared via a short reaction sequence, involving the RCM reaction as the key transformation.

  16. Substitution of Nd with other rare earth elements in melt spun Nd{sub 2}Fe{sub 14}B magnets

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, D. N.; Lau, D.; Chen, Z.

    2016-05-15

    This is a contemporary study of rapidly quenched Nd{sub 1.6}X{sub 0.4}Fe{sub 14}B magnetic materials (where X= Nd, Y, Ce, La, Pr, Gd and Ho). A 20% substitution of the Nd component from Nd{sub 2}Fe{sub 14}B can bring about some commercial advantage. However, there will be some compromise to the magnetic performance. Light rare earth elements are definitely more abundant (Y, Ce, La) than the heavier rare earth elements, but when they are included in RE{sub 2}Fe{sub 14}B magnets they tend to lower magnetic performance and thermal stability. Substituting heavy rare earth elements (Gd, Ho) for Nd in Nd{sub 2}Fe{sub 14}Bmore » improves the thermal stability of magnets but causes a loss in magnet remanence.« less

  17. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...”/“Autofrost”/“Chill-It”, and “Hot Shot”/“Kar Kool” are acceptable substitutes for CFC-12 in retrofitted motor...-It”, “Hot Shot”/“Kar Kool”, and “FREEZE 12” as CFC-12 substitutes in MVACs, and b) all refrigerants... electronics and only for one year. Precision Cleaning w/CFC-113 and MCF HCFC-141b Extension of existing...

  18. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...”/“Autofrost”/“Chill-It”, and “Hot Shot”/“Kar Kool” are acceptable substitutes for CFC-12 in retrofitted motor...-It”, “Hot Shot”/“Kar Kool”, and “FREEZE 12” as CFC-12 substitutes in MVACs, and b) all refrigerants... electronics and only for one year. Precision Cleaning w/CFC-113 and MCF HCFC-141b Extension of existing...

  19. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...”/“Autofrost”/“Chill-It”, and “Hot Shot”/“Kar Kool” are acceptable substitutes for CFC-12 in retrofitted motor...-It”, “Hot Shot”/“Kar Kool”, and “FREEZE 12” as CFC-12 substitutes in MVACs, and b) all refrigerants... electronics and only for one year. Precision Cleaning w/CFC-113 and MCF HCFC-141b Extension of existing...

  20. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...”/“Autofrost”/“Chill-It”, and “Hot Shot”/“Kar Kool” are acceptable substitutes for CFC-12 in retrofitted motor...-It”, “Hot Shot”/“Kar Kool”, and “FREEZE 12” as CFC-12 substitutes in MVACs, and b) all refrigerants... electronics and only for one year. Precision Cleaning w/CFC-113 and MCF HCFC-141b Extension of existing...

  1. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...”/“Autofrost”/“Chill-It”, and “Hot Shot”/“Kar Kool” are acceptable substitutes for CFC-12 in retrofitted motor...-It”, “Hot Shot”/“Kar Kool”, and “FREEZE 12” as CFC-12 substitutes in MVACs, and b) all refrigerants... electronics and only for one year. Precision Cleaning w/CFC-113 and MCF HCFC-141b Extension of existing...

  2. Structure-activity relationships among substituted N-benzoyl derivatives of phenylalanine and its analogs in a microbial antitumor prescreen I: Derivatives of o-fluoro-DL-phenylalanine.

    PubMed

    Otani, T T; Briley, M R

    1982-02-01

    Twelve derivatives of 0-fluoro-dl-phenylalanine containing fluorine, chlorine, methoxy, and nitro radicals in various positions of the aromatic ring of the benzoyl group were prepared and tested in a Lactobacillus casei system. It was found that most substitutions in the benzoyl phenyl ring resulted in a compound exhibiting greater growth-inhibiting activity than the nonsubstituted benzoyl-o-fluorophenylalanine. The greatest activity was observed in the ortho-substituted fluoro compound and the meta- and para-substituted chloro and nitro compounds. With the methoxy group, the position of substitution appeared unimportant, since all three methoxy isomers exhibited essentially equal inhibition. Nitro substitution in the ortho position had a protective effect in that the product was less active than the unsubstituted benzoyl-o-fluoro-dl-phenylalanine.

  3. Analysis of HLA-B15 and HLA-B27 in spondyloarthritis with peripheral and axial clinical patterns

    PubMed Central

    Londono, John; Santos, Ana Maria; Peña, Paola; Calvo, Enrique; Espinosa, Luis R; Reveille, John D; Vargas-Alarcon, Gilberto; Jaramillo, Carlos A; Valle-Oñate, Rafael; Avila, Mabel; Romero, Consuelo; Medina, Juan F

    2015-01-01

    Objective Human leucocyte antigen (HLA) B27 and HLA-B15 are associated with spondyloarthritis (SpA). Recent Assessment of SpondyloArthritis international Society (ASAS) criteria emphasise a distinction between SpA with axial and peripheral patterns. We analysed whether HLA-A, HLA-B and HLA-DRB1 alleles could associate with these patterns. Methods We studied 100 healthy individuals and 178 patients with SpA according to European Spondyloarthropathy Study Group (ESSG) criteria. Patients were then classified according to ASAS criteria, the axial spondyloarthritis pattern (axSpA) being defined by ascertained sacroiliitis and the peripheral pattern (pSpA) by enthesitis and/or arthritis in extremities. A combined ax/p pattern was also considered. Results Only HLA-B27 and HLA-B15 alleles were associated with SpA. ASAS criteria for axSpA were met in 152 patients (12 with isolated axSpA and 140 with a combined ax/p patterns). When the ASAS peripheral criteria were applied, 161 patients met these criteria (13 with isolated pSpA and 148 with a combined ax/p pattern). HLA-B27 was found in 83% of patients with axSpA and 43% of ax/pSpA patients according to axASAS. HLA-B27 occurred in 7% controls but not in any patient with isolated pSpA. HLA-B15 was encountered in 31% of patients with isolated pSpA and 20% of ax/pSpA patients according to pASAS criteria. Moreover, 2 healthy controls, but none of our patients with isolated axSpA were positive for HLA-B15. Conclusions Our data suggest that the presence of HLA-B15 favours the development of isolated/combined peripheral rather than isolated axSpA, while HLA-B27 promotes an isolated/combined axial disease and excludes a peripheral pattern. HLA-B15 should be considered in addition to HLA-B27 when diagnosing patients with SpA according to ASAS criteria. PMID:26560062

  4. The solvatochromic effects of side chain substitution on the binding interaction of novel tricarbocyanine dyes with human serum albumin.

    PubMed

    Beckford, Garfield; Owens, Eric; Henary, Maged; Patonay, Gabor

    2012-04-15

    The effects of solvatochromism on protein-ligand interactions have been studied by absorbance and near-infrared laser induced fluorescence (NIR-LIF) spectroscopy. The utility of three novel classes of cyanine dyes designed for this purpose illustrates that the affinity interactions of ligands at the hydrophobic binding pockets of Human Serum Albumin (HSA) are not only dependent on the overall hydrophobic characteristics of the molecules but are highly influenced by the size of the ligands as well. Whereas changes to the chromophore moiety exhibited slight to moderate changes to the hydrophobic nature of these molecules, substitution at the alkyl indolium side chain has enabled us to vary the binding affinity towards serum albumin. Substitution at the indolium side chain among an ethyl to butyl group results in improved binding characteristics and an almost three-fold increase in affinity constant. In addition, replacement of the ethyl side chain with a phenylpropyl group also yielded unique solvotachromic patterns such as increased hydrophobicity and subsequent biocompatibility with the HSA binding regions. Ligand interaction was however inhibited by steric hindrance associated with the bulky phenyl ring system thus affecting the increased binding that could be realized from the improved hydrophobic nature of the molecules. This characteristic change in binding affinity is of potential interest to developing a methodology which reveals information on the hydrophobic character and steric specificity of the binding cavities. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Variations in Ring Particle Cooling across Saturn's Rings with Cassini CIRS

    NASA Astrophysics Data System (ADS)

    Brooks, S. M.; Spilker, L. J.; Pilorz, S.; Edgington, S. G.; Déau, E.; Altobelli, N.

    2010-12-01

    Cassini's Composite Infrared Spectrometer has recorded over two million of spectra of Saturn's rings in the far infrared since arriving at Saturn in 2004. CIRS records far infrared radiation between 10 and 600 cm-1 ( 16.7 and 1000 μ {m} ) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn’s rings peaks in this wavelength range. Ring temperatures can be inferred from FP1 data. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and rapidly changing temperatures are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid particles can be expected to have higher thermal inertias. Ferrari et al. (2005) fit thermal inertia values of 5218 {Jm)-2 {K}-1 {s}-1/2 to their B ring data and 6412 {Jm)-2 {K}-1 {s}-1/2 to their C ring data. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The rings’ thermal budget is dominated by its absorption of solar radiation. As a result, ring particles abruptly cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

  6. Enhanced photoluminescence from ring resonators in hydrogenated amorphous silicon thin films at telecommunications wavelengths.

    PubMed

    Patton, Ryan J; Wood, Michael G; Reano, Ronald M

    2017-11-01

    We report enhanced photoluminescence in the telecommunications wavelength range in ring resonators patterned in hydrogenated amorphous silicon thin films deposited via low-temperature plasma enhanced chemical vapor deposition. The thin films exhibit broadband photoluminescence that is enhanced by up to 5 dB by the resonant modes of the ring resonators due to the Purcell effect. Ellipsometry measurements of the thin films show a refractive index comparable to crystalline silicon and an extinction coefficient on the order of 0.001 from 1300 nm to 1600 nm wavelengths. The results are promising for chip-scale integrated optical light sources.

  7. Synthesis of (+)-Didemniserinolipid B: Application of a 2-Allyl-4-fluorophenyl Auxiliary for Relay Ring-Closing Metathesis

    PubMed Central

    Marvin, Christopher C.; Voight, Eric A.; Suh, Judy M.; Paradise, Christopher L.; Burke, Steven D.

    2009-01-01

    The synthesis of didemniserinolipid B utilizing a ketalization/ring-closing metathesis (K/RCM) strategy is described. In the course of this work, a novel 2-allyl-4-fluorophenyl auxiliary for relay ring-closing metathesis (RRCM) was developed which increased the yield of the RCM. The resulting 6,8-dioxabicyclo[3.2.1]octene core was selectively functionalized by complimentary dihydroxylation and epoxidation routes to install the C10 axial alcohol. This bicyclic ketal core was further functionalized by etherification and an alkene cross metathesis with an unsaturated α-phenylselenyl ester en route to completing the total synthesis. PMID:18811201

  8. Probing the mechanistic consequences of 5-fluorine substitution on cytidine nucleotide analogue incorporation by HIV-1 reverse transcriptase.

    PubMed

    Ray, Adrian S; Schinazi, Raymond F; Murakami, Eisuke; Basavapathruni, Aravind; Shi, Junxing; Zorca, Suzana M; Chu, Chung K; Anderson, Karen S

    2003-05-01

    Beta-D and beta-L-enantiomers of 2',3'-dideoxycytidine analogues are potent chain-terminators and antimetabolites for viral and cellular replication. Seemingly small modifications markedly alter their antiviral and toxicity patterns. This review discusses previously published and recently obtained data on the effects of 5- and 2'-fluorine substitution on the pre-steady state incorporation of 2'-deoxycytidine-5'-monophosphate analogues by HIV-1 reverse transcriptase (RT) in light of their biological activity. The addition of fluorine at the 5-position of the pyrimidine ring altered the kinetic parameters for all nucleotides tested. Only the 5-fluorine substitution of the clinically relevant nucleosides (-)-beta-L-2',3'-dideoxy-3'-thia-5-fluorocytidine (L-FTC, Emtriva), and (+)-beta-D-2',3'-didehydro-2',3'-dideoxy-5-fluorocytidine (D-D4FC, Reverset), caused a higher overall efficiency of nucleotide incorporation during both DNA- and RNA-directed synthesis. Enhanced incorporation by RT may in part explain the potency of these nucleosides against HIV-1. In other cases, a lack of correlation between RT incorporation in enzymatic assays and antiviral activity in cell culture illustrates the importance of other cellular factors in defining antiviral potency. The substitution of fluorine at the 2' position of the deoxyribose ring negatively affects incorporation by RT indicating the steric gate of RT can detect electrostatic perturbations. Intriguing results pertaining to drug resistance have led to a better understanding of HIV-1 RT resistance mechanisms. These insights serve as a basis for understanding the mechanism of action for nucleoside analogues and, coupled with studies on other key enzymes, may lead to the more effective use of fluorine to enhance the potency and selectivity of antiviral agents.

  9. 21 CFR 870.3800 - Annuloplasty ring.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...) Identification. An annuloplasty ring is a rigid or flexible ring implanted around the mitral or tricuspid heart valve for reconstructive treatment of valvular insufficiency. (b) Classification. Class II (special...

  10. 7 CFR 4280.153 - Substitution of lender.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... RURAL UTILITIES SERVICE, DEPARTMENT OF AGRICULTURE LOANS AND GRANTS Rural Energy for America Program General Renewable Energy System and Energy Efficiency Improvement Guaranteed Loans § 4280.153 Substitution... and paragraph (b) of this section. (b) The Agency may approve the substitution of a new lender if the...

  11. 7 CFR 4280.153 - Substitution of lender.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... RURAL UTILITIES SERVICE, DEPARTMENT OF AGRICULTURE LOANS AND GRANTS Rural Energy for America Program General Renewable Energy System and Energy Efficiency Improvement Guaranteed Loans § 4280.153 Substitution... and paragraph (b) of this section. (b) The Agency may approve the substitution of a new lender if the...

  12. 7 CFR 4280.153 - Substitution of lender.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... RURAL UTILITIES SERVICE, DEPARTMENT OF AGRICULTURE LOANS AND GRANTS Rural Energy for America Program General Renewable Energy System and Energy Efficiency Improvement Guaranteed Loans § 4280.153 Substitution... and paragraph (b) of this section. (b) The Agency may approve the substitution of a new lender if the...

  13. Reactive Metabolites in the Biotransformation of Molecules Containing a Furan Ring

    PubMed Central

    Peterson, Lisa A.

    2012-01-01

    Many xenobiotics containing a furan ring are toxic and/or carcinogenic. The harmful effects of these compounds require furan ring oxidation. This reaction generates an electrophilic intermediate. Depending on the furan ring substituents, the intermediate is either an epoxide or a cis-enedione with more ring substitution favoring epoxide formation. Either intermediate reacts with cellular nucleophiles such as protein or DNA to trigger toxicities. The reactivity of the metabolite determines which cellular nucleophiles are targeted. The toxicity of a particular furan is also influenced by the presence of competing metabolic pathways or efficient detoxification routes. GSH plays an important role in modulating the harmful effects of this class of compound by reacting with the reactive metabolite. However, this may not represent a detoxification step in all cases. PMID:23061605

  14. Design and synthesis of novel chalcones as potent selective monoamine oxidase-B inhibitors.

    PubMed

    Hammuda, Arwa; Shalaby, Raed; Rovida, Stefano; Edmondson, Dale E; Binda, Claudia; Khalil, Ashraf

    2016-05-23

    A novel series of substituted chalcones were designed and synthesized to be evaluated as selective human MAO-B inhibitors. A combination of either methylsulfonyl or trifluoromethyl substituents on the aromatic ketone moiety with a benzodioxol ring on the other end of the chalcone scaffold was investigated. The compounds were tested for their inhibitory activities on both human MAO-A and B. All compounds appeared to be selective MAO-B inhibitors with Ki values in the micromolar to submicromolar range. Molecular modeling studies have been performed to get insight into the binding mode of the synthesized compounds to human MAO-B active site. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  15. Competitive fitness of influenza B viruses with neuraminidase inhibitor-resistant substitutions in a coinfection model of the human airway epithelium.

    PubMed

    Burnham, Andrew J; Armstrong, Jianling; Lowen, Anice C; Webster, Robert G; Govorkova, Elena A

    2015-04-01

    Influenza A and B viruses are human pathogens that are regarded to cause almost equally significant disease burdens. Neuraminidase (NA) inhibitors (NAIs) are the only class of drugs available to treat influenza A and B virus infections, so the development of NAI-resistant viruses with superior fitness is a public health concern. The fitness of NAI-resistant influenza B viruses has not been widely studied. Here we examined the replicative capacity and relative fitness in normal human bronchial epithelial (NHBE) cells of recombinant influenza B/Yamanashi/166/1998 viruses containing a single amino acid substitution in NA generated by reverse genetics (rg) that is associated with NAI resistance. The replication in NHBE cells of viruses with reduced inhibition by oseltamivir (recombinant virus with the E119A mutation generated by reverse genetics [rg-E119A], rg-D198E, rg-I222T, rg-H274Y, rg-N294S, and rg-R371K, N2 numbering) or zanamivir (rg-E119A and rg-R371K) failed to be inhibited by the presence of the respective NAI. In a fluorescence-based assay, detection of rg-E119A was easily masked by the presence of NAI-susceptible virus. We coinfected NHBE cells with NAI-susceptible and -resistant viruses and used next-generation deep sequencing to reveal the order of relative fitness compared to that of recombinant wild-type (WT) virus generated by reverse genetics (rg-WT): rg-H274Y > rg-WT > rg-I222T > rg-N294S > rg-D198E > rg-E119A ≫ rg-R371K. Based on the lack of attenuated replication of rg-E119A in NHBE cells in the presence of oseltamivir or zanamivir and the fitness advantage of rg-H274Y over rg-WT, we emphasize the importance of these substitutions in the NA glycoprotein. Human infections with influenza B viruses carrying the E119A or H274Y substitution could limit the therapeutic options for those infected; the emergence of such viruses should be closely monitored. Influenza B viruses are important human respiratory pathogens contributing to a significant portion

  16. Comparison of disposable sutureless silicone ring and traditional metal ring in 23-gauge vitrectomy combined with cataract surgery.

    PubMed

    Wu, Jian-Guo; Wei, Rui-Hua; Liu, Ai-Hua; Zhou, Xiao-Xu; Sun, Guo-Ling; Li, Xiao-Rong

    2011-01-01

    The purpose of this prospective, interventional, comparative case series was to evaluate the efficiency and feasibility of a disposable sutureless silicone lens ring for corneal contact lens stabilization during combined 23-gauge vitrectomy and cataract surgery. We developed a ring consisting of a single silicone component with three footplates along the ring margin to fit cannulae for holding conventional contact lenses. Thirty eyes from 30 patients with cataract and vitreoretinal disease were included, and divided into two matched groups according to disease type and ring used. In Group A, we used a 23-gauge transconjunctival vitrectomy system and a disposable sutureless silicone lens ring (n = 15). In Group B, we used a 23-gauge transconjunctival vitrectomy system and a conventional metal lens ring (n = 15). The main outcome measures were: time required for vitrectomy preparation, rate of intraoperative corneal limbus bleeding, and limbus scar rate at the final follow-up visit. Thirty cases were successfully completed. The average vitrectomy preparation time was less in Group A than in Group B (P < 0.01), and the average preparation time saved was 3.94 minutes. None of the Group A patients had intraoperative bleeding or postoperative scarring, whereas all 15 Group B cases had bleeding and five had scarring. There was a statistically significant difference between Group A and Group B for these complications (P ≤ 0.05). This report demonstrates the advantages of using a sutureless silicone ring during combined 23-gauge vitrectomy and cataract surgery. Using this method could allow extra time for the surgeon to pay more attention to complex vitreoretinal procedures.

  17. Scintillating C Ring

    NASA Image and Video Library

    2007-01-16

    Both luminous and translucent, the C ring sweeps out of the darkness of Saturn's shadow and obscures the planet at lower left. The ring is characterized by broad, isolated bright areas, or "plateaus," surrounded by fainter material. This view looks toward the unlit side of the rings from about 19 degrees above the ringplane. North on Saturn is up. The dark, inner B ring is seen at lower right. The image was taken in visible light with the Cassini spacecraft wide-angle camera on Dec. 15, 2006 at a distance of approximately 632,000 kilometers (393,000 miles) from Saturn and at a Sun-Saturn-spacecraft, or phase, angle of 56 degrees. Image scale is 34 kilometers (21 miles) per pixel. http://photojournal.jpl.nasa.gov/catalog/PIA08855

  18. Thermodynamic Presynthetic Considerations for Ring-Opening Polymerization

    PubMed Central

    2016-01-01

    The need for polymers for high-end applications, coupled with the desire to mimic nature’s macromolecular machinery fuels the development of innovative synthetic strategies every year. The recently acquired macromolecular-synthetic tools increase the precision and enable the synthesis of polymers with high control and low dispersity. However, regardless of the specificity, the polymerization behavior is highly dependent on the monomeric structure. This is particularly true for the ring-opening polymerization of lactones, in which the ring size and degree of substitution highly influence the polymer formation properties. In other words, there are two important factors to contemplate when considering the particular polymerization behavior of a specific monomer: catalytic specificity and thermodynamic equilibrium behavior. This perspective focuses on the latter and undertakes a holistic approach among the different lactones with regard to the equilibrium thermodynamic polymerization behavior and its relation to polymer synthesis. This is summarized in a monomeric overview diagram that acts as a presynthetic directional cursor for synthesizing highly specific macromolecules; the means by which monomer equilibrium conversion relates to starting temperature, concentration, ring size, degree of substitution, and its implications for polymerization behavior are discussed. These discussions emphasize the importance of considering not only the catalytic system but also the monomer size and structure relations to thermodynamic equilibrium behavior. The thermodynamic equilibrium behavior relation with a monomer structure offers an additional layer of complexity to our molecular toolbox and, if it is harnessed accordingly, enables a powerful route to both monomer formation and intentional macromolecular design. PMID:26795940

  19. Thermodynamic Presynthetic Considerations for Ring-Opening Polymerization.

    PubMed

    Olsén, Peter; Odelius, Karin; Albertsson, Ann-Christine

    2016-03-14

    The need for polymers for high-end applications, coupled with the desire to mimic nature's macromolecular machinery fuels the development of innovative synthetic strategies every year. The recently acquired macromolecular-synthetic tools increase the precision and enable the synthesis of polymers with high control and low dispersity. However, regardless of the specificity, the polymerization behavior is highly dependent on the monomeric structure. This is particularly true for the ring-opening polymerization of lactones, in which the ring size and degree of substitution highly influence the polymer formation properties. In other words, there are two important factors to contemplate when considering the particular polymerization behavior of a specific monomer: catalytic specificity and thermodynamic equilibrium behavior. This perspective focuses on the latter and undertakes a holistic approach among the different lactones with regard to the equilibrium thermodynamic polymerization behavior and its relation to polymer synthesis. This is summarized in a monomeric overview diagram that acts as a presynthetic directional cursor for synthesizing highly specific macromolecules; the means by which monomer equilibrium conversion relates to starting temperature, concentration, ring size, degree of substitution, and its implications for polymerization behavior are discussed. These discussions emphasize the importance of considering not only the catalytic system but also the monomer size and structure relations to thermodynamic equilibrium behavior. The thermodynamic equilibrium behavior relation with a monomer structure offers an additional layer of complexity to our molecular toolbox and, if it is harnessed accordingly, enables a powerful route to both monomer formation and intentional macromolecular design.

  20. Analysis of HLA-B15 and HLA-B27 in spondyloarthritis with peripheral and axial clinical patterns.

    PubMed

    Londono, John; Santos, Ana Maria; Peña, Paola; Calvo, Enrique; Espinosa, Luis R; Reveille, John D; Vargas-Alarcon, Gilberto; Jaramillo, Carlos A; Valle-Oñate, Rafael; Avila, Mabel; Romero, Consuelo; Medina, Juan F

    2015-11-11

    Human leucocyte antigen (HLA) B27 and HLA-B15 are associated with spondyloarthritis (SpA). Recent Assessment of SpondyloArthritis international Society (ASAS) criteria emphasise a distinction between SpA with axial and peripheral patterns. We analysed whether HLA-A, HLA-B and HLA-DRB1 alleles could associate with these patterns. We studied 100 healthy individuals and 178 patients with SpA according to European Spondyloarthropathy Study Group (ESSG) criteria. Patients were then classified according to ASAS criteria, the axial spondyloarthritis pattern (axSpA) being defined by ascertained sacroiliitis and the peripheral pattern (pSpA) by enthesitis and/or arthritis in extremities. A combined ax/p pattern was also considered. Only HLA-B27 and HLA-B15 alleles were associated with SpA. ASAS criteria for axSpA were met in 152 patients (12 with isolated axSpA and 140 with a combined ax/p patterns). When the ASAS peripheral criteria were applied, 161 patients met these criteria (13 with isolated pSpA and 148 with a combined ax/p pattern). HLA-B27 was found in 83% of patients with axSpA and 43% of ax/pSpA patients according to axASAS. HLA-B27 occurred in 7% controls but not in any patient with isolated pSpA. HLA-B15 was encountered in 31% of patients with isolated pSpA and 20% of ax/pSpA patients according to pASAS criteria. Moreover, 2 healthy controls, but none of our patients with isolated axSpA were positive for HLA-B15. Our data suggest that the presence of HLA-B15 favours the development of isolated/combined peripheral rather than isolated axSpA, while HLA-B27 promotes an isolated/combined axial disease and excludes a peripheral pattern. HLA-B15 should be considered in addition to HLA-B27 when diagnosing patients with SpA according to ASAS criteria. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

  1. Ring Expansion and Rearrangements of Rhodium(II) Azavinyl Carbenes

    PubMed Central

    Selander, Nicklas; Worrell, Brady T.

    2013-01-01

    An efficient, regioselective and convergent method for the ring expansion and rearrangement of 1-sulfonyl-1,2,3-triazoles under rhodium(II)-catalyzed conditions is described. These denitrogenative reactions form substituted enaminone and olefin-based products, which in the former case can be further functionalized to unique products rendering the sulfonyl triazole traceless. PMID:23161725

  2. Oxygen Abundances in the Rings of Polar-Ring Galaxies

    NASA Astrophysics Data System (ADS)

    Radtke, I. R.; Eskridge, P. B.; Pogge, R. W.

    2003-05-01

    Polar ring galaxies (PRGs) are typically early-type (S0 or E) galaxies surrounded by rings of gas, dust, and stars orbiting nearly perpendicular to the principle plane of the host galaxy (Whitmore et al. 1990 AJ 100 1489). Given that PRGs have two separate, perpendicular axes of rotation, it is clear on dynamical grounds that PRGs are the products of merger events between two galaxies, but are observed in a state where two distinct kinematic and morphological structures are still apparent. As such, they present a unique opportunity to study merger events in systems where the debris is not confused with material from the host. Our understanding of the relative importance of polar ring systems in the overall process of galaxy evolution is confounded by our lack of knowledge regarding the typical lifetimes and evolutionary histories of polar rings. A crucial factor for understanding the formation and evolution of PRGs is information regarding the elemental abundances of the ring material. Polar rings are typically rich in {\\protectH 2} regions. Optical spectroscopy of these {\\protectH 2} regions can tell us their density, temperature, and oxygen abundance. Our earlier work (Eskridge & Pogge 1997 ApJ 486 259) revealed roughly Solar oxygen abundances for {\\protectH 2} regions in the polar ring of NGC 2685. We have extended this project, and now have spectra for six PRGs. Analysis of the data for II Zw 73 and UGC 7576 reveal the polar rings of these galaxies to have {\\protectH 2} region oxygen abundances in the range 0.3 to 0.6 Solar, substantially less than found for NGC 2685. Abundances in this range are much easier to explain with conventional models of chemical enrichment and polar ring formation. We shall present results for our full sample. Taken as a whole, this sample will provide a clear foundation for the typical chemical enrichment patterns in polar rings, and thus provide a clearer understanding of the formation and evolution of these curious objects. We

  3. Frequency of Interferon-Resistance Conferring Substitutions in Amino Acid Positions 70 and 91 of Core Protein of the Russian HCV 1b Isolates Analyzed in the T-Cell Epitopic Context

    PubMed Central

    Soboleva, N. V.; Karlsen, A. A.; Isaeva, O. V.; Isaguliants, M. G.; Mikhailov, M. I.

    2018-01-01

    Amino acid substitutions R70Q/H and L91M in HCV subtype 1b core protein can affect the response to interferon and are associated with the development of hepatocellular carcinoma. We found that the rate of R70Q/H in HCV 1b from Russia was 31.2%, similar to that in HCV strains from Asia (34.0%), higher than that in the European (18.0%, p = 0.0010), but lower than that in the US HCV 1b strains (62.8%, p < 0.0001). Substitution L91M was found in 80.4% of the Russian HCV 1b isolates, higher than in Asian isolates (43.8%, p < 0.0001). Thus, a significant proportion of Russian HCV 1b isolates carry the unfavorable R70Q/H and/or L91M substitution. In silico analysis of the epitopic structure of the regions of substitutions revealed that both harbor clusters of T-cell epitopes. Peptides encompassing these regions were predicted to bind to a panel of HLA class I molecules, with substitutions impairing peptide recognition by HLA I molecules of the alleles prevalent in Russia. This indicates that HCV 1b with R70Q/H and L91M substitutions may have evolved as the immune escape variants. Impairment of T-cell recognition may play a part in the negative effect of these substitutions on the response to IFN treatment. PMID:29577052

  4. Voyager Observations of the Color of Saturn's Ring

    NASA Technical Reports Server (NTRS)

    Estrada, Paul R.; Cuzzi, Jeffrey N.; Morrison, David (Technical Monitor)

    1994-01-01

    Previously unreduced high resolution Voyager 2 images of Saturn's main rings are used to generate reflectivity (I/F) profiles as a function of radius. Ratios of profiles taken from green, violet, orange, and UV filter images are then produced. The I/F ratios are diagnostic of composition, and provide us with information on the rings' present state of compositional evolution. The rings are extremely reddish in color which suggests that they could not be pure water ice. The most likely candidates for the non-icy components are silicates and organics. The sources of these pollutants are of extreme importance in determining the compositional history of the rings. The radial profiles of ring color ratio exhibit several very interesting properties: (a) broad-scale, fairly smooth, color variations which are only weakly correlated with underlying ring structure (optical depth variations) across the outer C ring and inner B ring as well as the Cassini division region. These variations are probably consistent with ballistic transport; (b) fine-scale, noise-Like (but unquestionably real) color variations across at least the outer two-thirds of the B ring. Not only the "redness" but the spectral shape varies. These variations are currently unexplained. Groundbased spectroscopic observations should be pursued to study the implied compositional heterogeneities on at least the larger scales. This data set will be used for modeling of the color and composition of the main rings using ballistic transport and radiative transfer theories.

  5. Aryl substitution of pentacenes

    PubMed Central

    Waterloo, Andreas R; Sale, Anna-Chiara; Lehnherr, Dan; Hampel, Frank

    2014-01-01

    Summary A series of 11 new pentacene derivatives has been synthesized, with unsymmetrical substitution based on a trialkylsilylethynyl group at the 6-position and various aryl groups appended to the 13-position. The electronic and physical properties of the new pentacene chromophores have been analyzed by UV–vis spectroscopy (solution and thin films), thermoanalytical methods (DSC and TGA), cyclic voltammetry, as well as X-ray crystallography (for 8 derivatives). X-ray crystallography has been specifically used to study the influence of unsymmetrical substitution on the solid-state packing of the pentacene derivatives. The obtained results add to our ability to better predict substitution patterns that might be helpful for designing new semiconductors for use in solid-state devices. PMID:25161729

  6. Comparison of disposable sutureless silicone ring and traditional metal ring in 23-gauge vitrectomy combined with cataract surgery

    PubMed Central

    Wu, Jian-Guo; Wei, Rui-Hua; Liu, Ai-Hua; Zhou, Xiao-Xu; Sun, Guo-Ling; Li, Xiao-Rong

    2011-01-01

    Background: The purpose of this prospective, interventional, comparative case series was to evaluate the efficiency and feasibility of a disposable sutureless silicone lens ring for corneal contact lens stabilization during combined 23-gauge vitrectomy and cataract surgery. Methods: We developed a ring consisting of a single silicone component with three footplates along the ring margin to fit cannulae for holding conventional contact lenses. Thirty eyes from 30 patients with cataract and vitreoretinal disease were included, and divided into two matched groups according to disease type and ring used. In Group A, we used a 23-gauge transconjunctival vitrectomy system and a disposable sutureless silicone lens ring (n = 15). In Group B, we used a 23-gauge transconjunctival vitrectomy system and a conventional metal lens ring (n = 15). The main outcome measures were: time required for vitrectomy preparation, rate of intraoperative corneal limbus bleeding, and limbus scar rate at the final follow-up visit. Results: Thirty cases were successfully completed. The average vitrectomy preparation time was less in Group A than in Group B (P < 0.01), and the average preparation time saved was 3.94 minutes. None of the Group A patients had intraoperative bleeding or postoperative scarring, whereas all 15 Group B cases had bleeding and five had scarring. There was a statistically significant difference between Group A and Group B for these complications (P ≤ 0.05). Conclusion: This report demonstrates the advantages of using a sutureless silicone ring during combined 23-gauge vitrectomy and cataract surgery. Using this method could allow extra time for the surgeon to pay more attention to complex vitreoretinal procedures. PMID:21760720

  7. Ynamides in Ring Forming Transformations

    PubMed Central

    WANG, XIAO-NA; YEOM, HYUN-SUK; FANG, LI-CHAO; HE, SHUZHONG; MA, ZHI-XIONG; KEDROWSKI, BRANT L.; HSUNG, RICHARD P.

    2013-01-01

    as powerful synthons for nitrogen-containing heterocycles and nitrogen-substituted rings, and we hope this Account will promote continued interest in the chemistry of ynamides. PMID:24164363

  8. Multi-stage tandem mass spectrometric analysis of novel β-cyclodextrin-substituted and novel bis-pyridinium gemini surfactants designed as nanomedical drug delivery agents.

    PubMed

    Donkuru, McDonald; Chitanda, Jackson M; Verrall, Ronald E; El-Aneed, Anas

    2014-04-15

    This study aimed at evaluating the collision-induced dissociation tandem mass spectrometric (CID-MS/MS) fragmentation patterns of novel β-cyclodextrin-substituted- and bis-pyridinium gemini surfactants currently being explored as nanomaterial drug delivery agents. In the β-cyclodextrin-substituted gemini surfactants, a β-cyclodextrin ring is grafted onto an N,N-bis(dimethylalkyl)-α,ω-aminoalkane-diammonium moiety using variable succinyl linkers. In contrast, the bis-pyridinium gemini surfactants are based on a 1,1'-(1,1'-(ethane-1,2-diylbis(sulfanediyl))bis(alkane-2,1-diyl))dipyridinium template, defined by two symmetrical N-alkylpyridinium parts connected through a fixed ethane dithiol spacer. Detection of the precursor ion [M](2+) species of the synthesized compounds and the determination of mass accuracies were conducted using a QqTOF-MS instrument. A multi-stage tandem MS analysis of the detected [M](2+) species was conducted using the QqQ-LIT-MS instrument. Both instruments were equipped with an electrospray ionization (ESI) source. Abundant precursor ion [M](2+) species were detected for all compounds at sub-1 ppm mass accuracies. The β-cyclodextrin-substituted compounds, fragmented via two main pathways: Pathway 1: the loss of one head-tail region produces a [M-(N(Me)2-R)](2+) ion, from which sugar moieties (Glc) are sequentially cleaved; Pathway 2: both head-tail regions are lost to give [M-2(N(Me)2-R)](+), followed by consecutive loss of Glc units. Alternatively, the cleavage of the Glc units could also have occurred simultaneously. Nevertheless, the fragmentation evolved around the quaternary ammonium cations, with characteristic cleavage of Glc moieties. For the bis-pyridinium gemini compounds, they either lost neutral pyridine(s) to give doubly charged ions (Pathway A) or formed complementary pyridinium alongside other singly charged ions (Pathway B). Similar to β-cyclodextrin-substituted compounds, the fragmentation was centered on the

  9. The nucleotide sequence of HLA-B{sup *}2704 reveals a new amino acid substitution in exon 4 which is also present in HLA-B{sup *}2706

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rudwaleit, M.; Bowness, P.; Wordsworth, P.

    1996-12-31

    The HLA-B27 subtype HLA-B{sup *}2704 is virtually absent in Caucasians but common in Orientals, where it is associated with ankylosing spondylitis. The amino acid sequence of HLA-B{sup *}2704 has been established by peptide mapping and was shown to differ by two amino acids from HLA-B{sup *}2705, HLA-B{sup *}2704 is characterized by a serine for aspartic acid substitution at position 77 and glutamic acid for valine at position 152. To date, however, no nucleotide sequence confirming these changes at the DNA level has been published. 13 refs., 2 figs.

  10. Synthesis and biological evaluation of a series of tangeretin-derived chalcones.

    PubMed

    Quintin, Jérôme; Desrivot, Julie; Thoret, Sylviane; Le Menez, Patrick; Cresteil, Thierry; Lewin, Guy

    2009-01-01

    A series of chalcones polyoxygenated on the ring A (with pentamethoxy or 2'-hydroxy-3',4',5',6'-tetramethoxy substitution patterns) was synthesized from tangeretin, a natural Citrus flavonoid. These chalcones were evaluated for their antiproliferative, activation of apoptosis, inhibition of tubulin assembly and antileishmanial activities. Comparison with the reference analogous 3',4',5'-trimethoxylated chalcones showed that such peroxygenated substitution patterns on the ring A were less beneficial to these activities.

  11. Magnetic and structural properties of ferromagnetic Fe 5PB 2 and Fe 5SiB 2 and effects of Co and Mn substitutions

    DOE PAGES

    McGuire, Michael A.; Parker, David S.

    2015-10-22

    Crystallographic and magnetic properties of Fe 5PB 2, Fe 4CoPB 2, Fe 4MnPB 2, Fe 5SiB 2, Fe 4CoSiB 2, and Fe 4MnSiB 2 are reported. All adopt the tetragonal Cr 5B 3 structure-type and are ferromagnetic at room temperature with easy axis of magnetization along the c-axis. The spin reorientation in Fe 5SiB 2 is observed as an anomaly in the magnetization near 170 K, and is suppressed by substitution of Co or Mn for Fe. The silicides are found to generally have larger magnetic moments than the phosphides, but the data suggests smaller magnetic anisotropy in the silicides.more » Cobalt substitution reduces the Curie temperatures by more than 100 K and ordered magnetic moments by 16-20%, while manganese substitution has a much smaller effect. This suggests Mn moments align ferromagnetically with the Fe and that Co does not have an ordered moment in these structures. Anisotropic thermal expansion is observed in Fe 5PB 2 and Fe 5SiB 2, with negative thermal expansion seen along the c-axis of Fe 5SiB 2. First principles calculations of the magnetic properties of Fe 5SiB 2 and Fe 4MnSiB 2 are reported. The results, including the magnetic moment and anisotropy, and are in good agreement with experiment.« less

  12. High-resolution imaging of Saturn's main rings during the Cassini Ring-Grazing Orbits and Grand Finale

    NASA Astrophysics Data System (ADS)

    Tiscareno, M. S.

    2017-12-01

    Cassini is ending its spectacular 13-year mission at Saturn with a two-part farewell, during which it has obtained the sharpest and highest-fidelity images ever taken of Saturn's rings. From December 2016 to April 2017, the spacecraft executed 20 near-polar orbits that passed just outside the outer edge of the main rings; these "Ring-Grazing Orbits" provided the mission's best viewing of the A and F rings and the outer B ring. From April to September 2017, the spacecraft is executing 22 near-polar orbits that pass between the innermost D ring and the planet's clouds; this "Grand Finale" provides the mission's best viewing of the C and D rings and the inner B ring. 1) Clumpy BeltsClumpy structure called "straw" was previously observed in parts of the main rings [Porco et al. 2005, Science]. New images show this structure with greater clarity. More surprisingly, new images reveal strong radial variations in the degree and character of clumpiness, which are probably an index for particle properties and interactions. Belts with different clumpiness characteristics are often adjacent to each other and not easily correlated with other ring characteristics. 2) PropellersA "propeller" is a local disturbance in the ring created by an embedded moon [Tiscareno et al. 2006, Nature; 2010, ApJL]. Cassini has observed two classes of propellers: small propellers that swarm in the "Propeller Belts" of the mid-A ring, and "Giant Propellers" whose individual orbits can be tracked in the outer A ring. Both are shown in unprecedented detail in new images. Targeted flybys of Giant Propellers were executed on both the lit and unlit sides of the ring (see figure), yielding enhanced ability to convert brightness to optical depth and surface density. 3) Impact Ejecta CloudsBeing a large and delicate system, Saturn's rings function as a detector of their planetary environment. Cassini images of impact ejecta clouds in the rings previously constrained the population of decimeter

  13. DFT, FT-IR, FT-Raman and NMR studies of 4-(substituted phenylazo)-3,5-diacetamido-1H-pyrazoles

    NASA Astrophysics Data System (ADS)

    Kınalı, Selin; Demirci, Serkan; Çalışır, Zühre; Kurt, Mustafa; Ataç, Ahmet

    2011-05-01

    We present a detailed analysis of the structural and vibrational spectra of some novel azo dyes. 2-(Substituted phenylazo)malononitriles were synthesized by the coupling reaction of the diazonium salts, which were prepared with the use of various aniline derivatives with malononitrile, and then 4-(substituted phenylazo)-3,5-diamino-1H-pyrazole azo dyes were obtained via the ring closure of the azo compounds with hydrazine monohydrate. The experimental and theoretical vibrational spectra of azo dyes were studied. The structural and spectroscopic analysis of the molecules were carried out by using Becke's three-parameters hybrid functional (B3LYP) and density functional harmonic calculations. The 1H nuclear magnetic resonance (NMR) chemical shifts of the azo dye molecules were calculated using the gauge-invariant-atomic orbital (GIAO) method. The calculated vibrational wavenumbers and chemical shifts were compared with the experimental data of the molecules.

  14. Corneal iron ring after conductive keratoplasty.

    PubMed

    Kymionis, George D; Naoumidi, Tatiana L; Aslanides, Ioannis M; Pallikaris, Ioannis G

    2003-08-01

    To report formation of corneal iron ring deposits after conductive keratoplasty. Observational case report. Case report. A 54-year-old woman underwent conductive keratoplasty for hyperopia. One year after conductive keratoplasty, iron ring pattern pigmentation was detected at the corneal epithelium of both eyes. This is the first report of the appearance of corneal iron ring deposits following conductive keratoplasty treatment in a patient. It is suggested that alterations in tear film stability, resulting from conductive keratoplasty-induced changes in corneal curvature, constitute the contributory factor for these deposits.

  15. Image processing and analysis of Saturn's rings

    NASA Technical Reports Server (NTRS)

    Yagi, G. M.; Jepsen, P. L.; Garneau, G. W.; Mosher, J. A.; Doyle, L. R.; Lorre, J. J.; Avis, C. C.; Korsmo, E. P.

    1981-01-01

    Processing of Voyager image data of Saturn's rings at JPL's Image Processing Laboratory is described. A software system to navigate the flight images, facilitate feature tracking, and to project the rings has been developed. This system has been used to make measurements of ring radii and to measure the velocities of the spoke features in the B-Ring. A projected ring movie to study the development of these spoke features has been generated. Finally, processing to facilitate comparison of the photometric properties of Saturn's rings at various phase angles is described.

  16. UV action spectroscopy of protonated PAH derivatives. Methyl substituted quinolines

    NASA Astrophysics Data System (ADS)

    Klærke, B.; Holm, A. I. S.; Andersen, L. H.

    2011-08-01

    Aims: We investigate the production of molecular photofragments upon UV excitation of PAH derivatives, relevant for the interstellar medium. Methods: The action absorption spectra of protonated gas-phase methyl-substituted quinolines (CH3 - C9H7NH+) have been recorded in the 215-338 nm spectral range using the electrostatic storage ring ELISA, an electrospray ion source and 3 ns UV laser pulses. Results: It is shown that the absorption profile is both redshifted and broadened when moving the methyl group from the heterocycle containing nitrogen to the homoatomic ring. The absorption profiles are explained by TD-DFT calculations. The dissociation time of the studied molecules is found to be of several milliseconds at 230 nm and it is shown that after redistribution of the absorbed energy the molecules dissociate in several channels. The dissociation time found is an order of magnitude faster than the estimated IR relaxation time. Photophysical properties of both nitrogen containing and methyl-substituted PAHs are interesting in an astrophysical context in connection with identifying the aromatic component of the interstellar medium.

  17. What Confines the Rings of Saturn?

    NASA Astrophysics Data System (ADS)

    Tajeddine, Radwan; Nicholson, Philip D.; Longaretti, Pierre-Yves; El Moutamid, Maryame; Burns, Joseph A.

    2017-10-01

    The viscous spreading of planetary rings is believed to be counteracted by satellite torques, through either an individual resonance or overlapping resonances. For the A ring of Saturn, it has been commonly believed that the satellite Janus alone can prevent the ring from spreading, via its 7:6 Lindblad resonance. We discuss this common misconception and show that, in reality, the A ring is confined by the contributions from the group of satellites Pan, Atlas, Prometheus, Pandora, Janus, Epimetheus, and Mimas, whose cumulative torques from various resonances gradually decrease the angular momentum flux transported outward through the ring via density and bending waves. We further argue that this decrease in angular momentum flux occurs through “flux reversal.” Furthermore, we use the magnitude of the satellites’ resonance torques to estimate the effective viscosity profile across the A ring, showing that it decreases with radius from ˜50 cm2 s-1 to less than ˜10 cm2 s-1. The gradual estimated decrease of the angular momentum flux and effective viscosity are roughly consistent with results obtained by balancing the shepherding torques from Pan and Daphnis with the viscous torque at the edges of the Encke and Keeler gaps, as well as the edge of the A ring. On the other hand, the Mimas 2:1 Lindblad resonance alone seems to be capable of confining the edge of the B ring, and contrary to the situation in the A ring, we show that the effective viscosity across the B ring is relatively constant at ˜24-30 cm2 s-1.

  18. Galactic rings revisited - I. CVRHS classifications of 3962 ringed galaxies from the Galaxy Zoo 2 Database

    NASA Astrophysics Data System (ADS)

    Buta, Ronald J.

    2017-11-01

    Rings are important and characteristic features of disc-shaped galaxies. This paper is the first in a series that re-visits galactic rings with the goals of further understanding the nature of the features and for examining their role in the secular evolution of galaxy structure. The series begins with a new sample of 3962 galaxies drawn from the Galaxy Zoo 2 citizen science data base, selected because zoo volunteers recognized a ring-shaped pattern in the morphology as seen in Sloan Digital Sky Survey colour images. The galaxies are classified within the framework of the Comprehensive de Vaucouleurs revised Hubble-Sandage system. It is found that zoo volunteers cued on the same kinds of ring-like features that were recognized in the 1995 Catalogue of Southern Ringed Galaxies. This paper presents the full catalogue of morphological classifications, comparisons with other sources of classifications and some histograms designed mainly to highlight the content of the catalogue. The advantages of the sample are its large size and the generally good quality of the images; the main disadvantage is the low physical resolution that limits the detectability of linearly small rings such as nuclear rings. The catalogue includes mainly inner and outer disc rings and lenses. Cataclysmic (`encounter-driven') rings (such as ring and polar ring galaxies) are recognized in less than 1 per cent of the sample.

  19. The Dynamics of Dense Planetary Rings.

    NASA Astrophysics Data System (ADS)

    Mosqueira, Ignacio

    1995-01-01

    We study the dynamics of a two-mode narrow ring in the case that one of the modes dominates the overall ring perturbation. We use a simple two-streamline self -gravity model, including viscosity, and shepherd satellites. As might be expected, we find that n m = 1 mode appears to be a natural end state for the rings, inasmuch as the presence of a dominant eccentric mode inhibits the growth of other modes, but the reverse is not true. Why some rings exhibit other m values only remains unexplained. Using a modified N-body code to include periodic boundary conditions in a perturbed shear flow, we investigate the role of viscosity on the dynamics of perturbed rings with optical depth tau ~ 1. In particular, we are concerned with rings such that qe = a{de over da} ne 0, where a is the semi-major axis and e is the eccentricity. We confirm the possibility that, for a sufficiently perturbed ring, the angular momentum luminosity may reverse direction with respect to the unperturbed ring (Borderies et al. 1983a). We use observationally constrained parameters for the delta and epsilon Uranian rings, as well as the outer portion of Saturn's B ring. We find that understanding the effects of viscosity for the Uranian rings requires that both local and non-local transport terms be considered if the coefficient of restitution experimentally obtained by Bridges et al. (1984) is appropriate for ring particles. We also find evidence that the criterion for viscous overstability is satisfied in the case of high optical depth rings, as originally proposed by Borderies et al. (1985), making viscous overstability a leading candidate mechanism to explain the non-axisymmetric structure present in the outer portion of Saturn's B ring. To better understand our path-code results we extend a non-local and incompressible fluid model used by Borderies et al. (1985) for dense rings. We incorporate local and non-local transport terms as well as compressibility, while retaining the same number of

  20. Noncircular features in Saturn's rings III: The Cassini Division

    NASA Astrophysics Data System (ADS)

    French, Richard G.; Nicholson, Philip D.; McGhee-French, Colleen A.; Lonergan, Katherine; Sepersky, Talia; Hedman, Mathew M.; Marouf, Essam A.; Colwell, Joshua E.

    2016-08-01

    We have conducted a comprehensive survey of 22 sharp-edged ringlets and gaps in the Cassini Division of Saturn's rings, making use of nearly 200 high-SNR stellar and radio occultation chords obtained by the Cassini VIMS, UVIS, and RSS instruments between 2005 and 2013. We measure eccentricities from as small as ae = 80 m to nearly 30 km, free normal modes with amplitudes from ∼ 0.1 to 4.1 km, and detectable inclinations as small as asini = 0.2 km. Throughout the entire region, the Mimas 2.1 ILR (inner Lindblad resonance) produces systematic forced m = 2 distortions that quantitatively match the expected amplitudes, phases, and pattern speed. The narrow Russell, Jeffreys, Kuiper, Bessel, and Barnard gaps are simplest, and do not contain dense ringlets. Their outer edges are generally quite sharp and four of them are circular to within ∼0.25 km, whereas most of the inner gap edges have significant eccentricities. Three gaps are more complex, containing one or more isolated ringlets. First among these is the 361 km-wide Huygens gap, containing two ringlets. The wider Huygens ringlet has nearly identical eccentricities on the two edges, in addition to OLR-type (outer Lindblad resonance) normal modes on the inner edge and ILR-type modes on the outer edge. A secondary m = 1 (eccentric) mode is present on the outer edge of the ringlet, with a pattern speed similar to that of the B ring's outer edge. Variations in the ringlet's width are complex, but are statistically consistent with the expected magnitudes resulting from the random superposition of the multiple normal modes on the two edges. Also present in the Huygens gap is the very narrow so-called Strange ringlet, with a substantial eccentricity and inclination, as well as both ILR- and OLR-type normal modes. The 100 km-wide Herschel gap's inner edge is highly eccentric, with at least seven ILR-type normal modes. The outer gap edge is also eccentric, and hosts four OLR-type normal modes, and a secondary m = 1 mode

  1. Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions.

    PubMed

    Wu, Wenjie; Wu, Zemin; Rong, Chunying; Lu, Tian; Huang, Ying; Liu, Shubin

    2015-07-23

    The electrophilic aromatic substitution for nitration, halogenation, sulfonation, and acylation is a vastly important category of chemical transformation. Its reactivity and regioselectivity is predominantly determined by nucleophilicity of carbon atoms on the aromatic ring, which in return is immensely influenced by the group that is attached to the aromatic ring a priori. In this work, taking advantage of recent developments in quantifying nucleophilicity (electrophilicity) with descriptors from the information-theoretic approach in density functional reactivity theory, we examine the reactivity properties of this reaction system from three perspectives. These include scaling patterns of information-theoretic quantities such as Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy and information gain at both molecular and atomic levels, quantitative predictions of the barrier height with both Hirshfeld charge and information gain, and energetic decomposition analyses of the barrier height for the reactions. To that end, we focused in this work on the identity reaction of the monosubstituted-benzene molecule reacting with hydrogen fluoride using boron trifluoride as the catalyst in the gas phase. We also considered 19 substituting groups, 9 of which are ortho/para directing and the other 9 meta directing, besides the case of R = -H. Similar scaling patterns for these information-theoretic quantities found for stable species elsewhere were disclosed for these reactions systems. We also unveiled novel scaling patterns for information gain at the atomic level. The barrier height of the reactions can reliably be predicted by using both the Hirshfeld charge and information gain at the regioselective carbon atom. The energy decomposition analysis ensued yields an unambiguous picture about the origin of the barrier height, where we showed that it is the electrostatic interaction that plays the dominant role, while the roles played by exchange-correlation and

  2. The IR properties of ringed galaxies and the IRAS database

    NASA Technical Reports Server (NTRS)

    Buta, Ronald J.; Crocker, Deborah A.

    1993-01-01

    Our study of the Infrared Astronomy Satellite (IRAS) properties of ringed galaxies has been largely successful. We have identified what we think is the probable cause of the differences in the IRAS properties among non-interacting barred galaxies as the pattern speed of the bar. The key to identifying this parameter has been our focusing the study on outer-ringed galaxies where we know precisely what is present in the central regions (from available BVI CCD images in our library of images). The theory is that outer rings, through their morphology and other characteristics, can be identified with the outer Lindblad resonance, one of the major resonances in galaxy structure. Using a library of n-body simulations for comparison, we can reliably infer both low and high pattern speed galaxies from the appearance of outer rings and the existence of other ring features. It is clear that in some barred galaxies, the bar pattern speed is high enough to avoid an inner Lindblad resonance, hence such objects do not contain nuclear or circumnuclear star formation. The IRAS observations are most sensitive to nuclear star formation in early-type barred galaxies, and will thus select those barred galaxies where the pattern speed is low enough to allow an inner Lindblad resonance to exist. High pattern speed barred galaxies therefore weaken the correlation between bars and infrared excess. This finding helps to reconcile the inconsistent results found between different studies on the correlation between bars and far-IR emission.

  3. The Polycomb proteins RING1B and EZH2 repress the tumoral pro-inflammatory function in metastasizing primary cutaneous squamous cell carcinoma.

    PubMed

    Hernández-Ruiz, Eugenia; Toll, Agustí; García-Diez, Irene; Andrades, Evelyn; Ferrandiz-Pulido, Carla; Masferrer, Emili; Yébenes, Mireia; Jaka, Ane; Gimeno, Javier; Gimeno, Ramón; García-Patos, Vicenç; Pujol, Ramón M; Hernández-Muñoz, Inmaculada

    2018-03-08

    Cutaneous squamous cell carcinoma (cSCC) is the second most common malignancy in humans and approximately 5% metastasize, usually to regional lymph nodes. Epigenetic regulation of gene expression may allow tumoral cells to acquire new functions in order to escape from the primary tumor. The aim of this study was to investigate the expression and function of proteins of the Polycomb family of epigenetic regulators in the metastatic process of cSCC. A higher expression of RING1B and EZH2 was detected by immunohistochemistry in a series of primary cSCC tumors that metastasized (MSCCs) when compared with non-metastasizing cSCCs (non-MSCCs). Stable downregulation of RING1B and EZH2 in cSCC cells results in enhanced expression of inflammatory cytokines and activation of the NF-κB signaling pathway. Accordingly, non-MSCCs display higher levels of membranous pS176-inhibitor of NF-kB kinase, and their stroma is enriched in neutrophils and eosinophils when compared with MSCCs. In vitro, hematopoietic cells exhibit a substantial migratory response to supernatants from Polycomb-depleted cSCC cells. Altogether, these data indicate that RING1B and EZH2 repress the innate inflammatory cSCC function and impair tumor immunosurveillance and suggest that patients with high-risk cSCCs could benefit from clinical therapies addressed to harness the immune response.

  4. A Multistep Synthesis Incorporating a Green Bromination of an Aromatic Ring

    ERIC Educational Resources Information Center

    Cardinal, Pascal; Greer, Brandon; Luong, Horace; Tyagunova, Yevgeniya

    2012-01-01

    Electrophilic aromatic substitution is a fundamental topic taught in the undergraduate organic chemistry curriculum. A multistep synthesis that includes a safer and greener method for the bromination of an aromatic ring than traditional bromination methods is described. This experiment is multifaceted and can be used to teach students about…

  5. Stabilization of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} through Si–Ti substitution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xie, Weiwei, E-mail: weiweix@princeton.edu; Fuccillo, M.K.; Phelan, B.F.

    2015-07-15

    We report a route for designing and synthesizing Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that it is argued would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} with x=0.75, 1.00 and 1.25 nominal compositions crystalizes in the Ti{sub 3}Co{sub 5}B{sub 2} structure type using arc melting methods, whereas at lower doping levels (x=0.0, 0.25 and 0.50) the more complex Zn{sub 11}Rh{sub 18}B{sub 8}-type structure is stable. Electronic structure calculations show that in hypothetical,more » unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for Ti{sub 3−x}Si{sub x}Ru{sub 5}B{sub 2} for x≈1. - Graphical abstract: We present the designing and synthesizing of Ti{sub 3}Co{sub 5}B{sub 2}-type compounds in the Ti–Ru–B system by using chemical substitution of Si for Ti to decrease the d-electron-based antibonding interactions that would otherwise drive an instability in this structure for unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2}. Electronic structure calculations show that in hypothetical, unsubstituted Ti{sub 3}Ru{sub 5}B{sub 2} with the Ti{sub 3}Co{sub 5}B{sub 2}-type structure, the antibonding interactions are strong around the Fermi level between the Ti and Ru in the structure that form tetragonal prisms. We propose that weakening these strong interactions through the partial substitution of isovalent Si for Ti leads to the observed stability of the Ti{sub 3}Co{sub 5}B{sub 2}-type structure for

  6. Remarkable Regioselective Position-10 Bromination of Bacteriopyropheophorbide-a and Ring-B Reduced Pyropheophorbide-a

    PubMed Central

    Ethirajan, Manivannan; Joshi, Penny; William, White H.; Ohkubo, Kei; Fukuzumi, Shunichi; Pandey, Ravindra K.

    2011-01-01

    Both bacteriopyropheophorbide-a and ring-B reduced pyropheophorbide-a on reacting with NBS (N-bromosuccinamide) undergo electrophilic bromination to provide 10-bromo analogs. The electronic nature of the substituents present at position-3 did not make any difference in regioselective outcome of the brominated products. These relatively stable brominated chlorins and bacteriochlorins provide an easy way of introducing a wide variety of functionalities, which could be extremely useful in developing improved agents for biomedical applications and supramolecular chemistry. PMID:21417431

  7. Density functional IR, Raman, and VCD spectra of halogen substituted β-lactams

    NASA Astrophysics Data System (ADS)

    Rode, Joanna E.; Dobrowolski, Jan Cz.

    2003-06-01

    Halogenoazetidinones are important as synthetic intermediates for preparation of halogen β-lactam (2-azetidinone) antibiotics and as building blocks for carbohydrates and amino acids. In this paper, we consider the influence of the halogen atom, substituted at the C4 position of the 2-azetidinone ring, on the geometry, IR, Raman, and vibrational circular dichroism spectra. The vibrational spectra were calculated for the chiral 4-( R)-X-2-azetidinone (X=F, Cl or Br) molecules at the B3PW91/aug-cc-pVTZ level. It was shown that the geometry of the molecules studied do not change much upon the change of the halogen atom. In case of the vibrational spectra, the position but even more the intensities depend strongly on the kind of halogen substituent.

  8. Atropisomerization in N-aryl-2(1H)-pyrimidin-(thi)ones: a ring-opening/rotation/ring-closure process in place of a classical rotation around the pivot bond.

    PubMed

    Najahi, Ennaji; Vanthuyne, Nicolas; Nepveu, Françoise; Jean, Marion; Alkorta, Ibon; Elguero, José; Roussel, Christian

    2013-12-20

    Uncatalyzed racemization processes in atropisomeric diphenyl-like frameworks are classically described as the result of the rotation around the pivotal single bond linking two planar frameworks. Severe constraints leading to more or less distorted transition states account for the experimental barrier to atropenantiomerization. In 1988, one of us hypothesized that, in N-aryl-2(1H)-pyrimidin-(thi)ones, a ring-opening/ring-closure process was contributing to the observed racemization process accounting for the lower barriers in the sulfur analogues than in oxygen analogues. Now, a series of six novel 6-amino-5-cyano-1,4-disubstituted-2(1H)-pyrimidinones 5a-5f and two 6-amino-5-cyano-4-p-tolyl-1-substituted-2(1H)-pyrimidinethiones 6a and 6b were synthesized and characterized through spectroscopic and X-ray diffraction studies. Semipreparative HPLC chiral separation was achieved, and enantiomerization barriers were obtained by thermal racemization. The rotational barriers of 6-amino-5-cyano-1-o-tolyl-4-p-tolyl-2(1H)-pyrimidinone (5b) and 6-amino-5-cyano-1-(naphthalen-1-yl)-4-p-tolyl-2(1H)-pyrimidinone (5e) were found to be 120.4 and 125.1 kJ·mol(-1) (n-BuOH, 117 °C), respectively, and those of the corresponding thiones were 116.8 and 109.6 kJ·mol(-1) (EtOH, 78 °C), respectively. DFT calculations of the rotational barriers clearly ruled out the classical rotation around the pivotal bond with distorted transition states in the case of the sulfur derivatives. Instead, the ranking of the experimental barriers (sulfur versus oxygen, and o-tolyl versus 1-naphthyl in both series) was nicely reproduced by calculations when the rotation occurred via a ring-opened form in N-aryl-2(1H)-pyrimidinethiones.

  9. Hot piston ring tests

    NASA Technical Reports Server (NTRS)

    Allen, David J.; Tomazic, William A.

    1987-01-01

    As part of the DOE/NASA Automotive Stirling Engine Project, tests were made at NASA Lewis Research Center to determine whether appendix gap losses could be reduced and Stirling engine performance increased by installing an additional piston ring near the top of each piston dome. An MTI-designed upgraded Mod I Automotive Stirling Engine was used. Unlike the conventional rings at the bottom of the piston, these hot rings operated in a high temperature environment (700 C). They were made of a high temperature alloy (Stellite 6B) and a high temperature solid lubricant coating (NASA Lewis-developed PS-200) was applied to the cylinder walls. Engine tests were run at 5, 10, and 15 MPa operating pressure over a range of operating speeds. Tests were run both with hot rings and without to provide a baseline for comparison. Minimum data to assess the potential of both the hot rings and high temperature low friction coating was obtained. Results indicated a slight increase in power and efficiency, an increase over and above the friction loss introduced by the hot rings. Seal leakage measurements showed a significant reduction. Wear on both rings and coating was low.

  10. Osteoblast and osteoclast responses to A/B type carbonate-substituted hydroxyapatite ceramics for bone regeneration.

    PubMed

    Germaini, Marie-Michèle; Detsch, Rainer; Grünewald, Alina; Magnaudeix, Amandine; Lalloue, Fabrice; Boccaccini, Aldo R; Champion, Eric

    2017-06-06

    The influence of carbonate substitution (4.4 wt%, mixed A/B type) in hydroxyapatite ceramics for bone remodeling scaffolds was investigated by separately analyzing the response of pre-osteoblasts and osteoclast-like cells. Carbonated hydroxyapatite (CHA) (Ca 9.5 (PO 4 ) 5.5 (CO 3 ) 0.5 (OH)(CO 3 ) 0.25 -CHA), mimicking the chemical composition of natural bone mineral, and pure hydroxyapatite (HA) (Ca 10 (PO 4 ) 6 (OH) 2 -HA) porous ceramics were processed to obtain a similar microstructure and surface physico-chemical properties (grain size, porosity ratio and pore size, surface roughness and zeta potential). The biological behavior was studied using MC3T3-E1 pre-osteoblastic and RAW 264.7 monocyte/macrophage cell lines. Chemical dissolution in the culture media and resorption lacunae produced by osteoclasts occur with both HA and CHA ceramics, but CHA exhibits much higher dissolution and greater bioresorption ability. CHA ceramics promoted a significantly higher level of pre-osteoblast proliferation. Osteoblastic differentiation, assessed by qRT-PCR of RUNX2 and COLIA2, and pre-osteoclastic proliferation and differentiation were not significantly different on CHA or HA ceramics but cell viability and metabolism were significantly greater on CHA ceramics. Thus, the activity of both osteoclast-like and osteoblastic cells was influenced by the carbonate substitution in the apatite structure. Furthermore, CHA showed a particularly interesting balance between biodegradation, by osteoclasts and chemical dissolution, and osteogenesis through osteoblasts' activity, to stimulate bone regeneration. It is hypothesized that this amount of 4.4 wt% carbonate substitution leads to an adapted concentration of calcium in the fluid surrounding the ceramic to stimulate the activity of cells. These results highlight the superior biological behavior of microporous 4.4 wt% A/B CHA ceramics that could beneficially replace the commonly used HA of biphasic calcium phosphates for future

  11. HST-STIS spectra and the redness of Saturn's rings

    NASA Astrophysics Data System (ADS)

    Cuzzi, Jeffrey N.; French, Richard G.; Hendrix, Amanda R.; Olson, Daniel M.; Roush, Ted; Vahidinia, Sanaz

    2018-07-01

    We have observed the main rings of Saturn with the Space Telescope Imaging Spectrometer (STIS) on the Hubble Space Telescope (HST), covering the spectral region from 180-570 nm (including for the first time the critical near-UV range 190-340 nm) with very good signal to noise ratio and a radial resolution of approximately 160-330 km. After correcting for an unexpected grating scatter problem associated with the bright, red, extended planet-ring target, we obtained complete I/F spectra for each major ring region. We have interpreted the spectra in terms of the ring particle material composition using a combination of traditional "Hapke" theory and a new correction for shadowing on the rough, re-entrant ring particle surfaces, along with a correction for the nonclassical scattering of the ring layer itself. We tested a variety of UV absorbers: iron (including nano-iron) grains, hematite, "planetary silicates", organic carbon-ring tholins of varying aromaticity, and amorphous carbon. The A and B rings can contain no more NH3 than about 10-4 by volume. We conclude that the best spectral fit for the well-known, unusually red color of the A and B rings is provided by a sub-percent mass fraction of organic tholins. It appears that the most likely regolith configuration for the A and B Rings is a heterogeneous "intimate mixture", dominated by relatively pure water ice, with some 2-40% of the grains containing roughly 5-10% tholin by volume (the amount depending on whether silicates are present), but it is hard to allow much amorphous carbon to be present in the B Ring material at least. These predictions of compositional heterogeneity can be tested by Cassini direct compositional measurements. There is some suggestion that the tholin properties differ slightly between the A and B rings. We show that tholins of this type, in the abundance we predict, would be difficult to detect at near-IR wavelengths. The C Ring particles have lower albedos, and the best fit models require

  12. 7 CFR 4280.153 - Substitution of lender.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... RURAL UTILITIES SERVICE, DEPARTMENT OF AGRICULTURE LOANS AND GRANTS Renewable Energy Systems and Energy... section. (b) The Agency may approve the substitution of a new lender if the proposed substitute lender: (1...

  13. 7 CFR 4280.153 - Substitution of lender.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... RURAL UTILITIES SERVICE, DEPARTMENT OF AGRICULTURE LOANS AND GRANTS Renewable Energy Systems and Energy... section. (b) The Agency may approve the substitution of a new lender if the proposed substitute lender: (1...

  14. Synthesis of novel substituted 1,3-diaryl propenone derivatives and their antimalarial activity in vitro.

    PubMed

    Mishra, Nidhi; Arora, Preeti; Kumar, Brajesh; Mishra, Lokesh C; Bhattacharya, Amit; Awasthi, Satish K; Bhasin, Virendra K

    2008-07-01

    The synthesis of novel 1,3-diaryl propenone derivatives and their antimalarial activity in vitro against asexual blood stages of human malaria parasite, Plasmodium falciparum, are described. Chalcone derivatives were prepared via Claisen-Schmidt condensation of substituted aldehydes with substituted methyl ketones. Antiplasmodial IC(50) (half maximal inhibitory concentration) activity of these compounds ranged between 1.5 and 12.3 microg/ml. The chloro-series, 1,2,4-triazole substituted chalcone was found to be the most effective in inhibiting the growth of P. falciparum in vitro while pyrrole and benzotriazole substituted chalcones showed relatively less inhibitory activity. This is the first report on antiplasmodial activity of chalcones with azoles on acetophenone ring.

  15. Hydroxide Degradation Pathways for Substituted Benzyltrimethyl Ammonium: A DFT Study

    DOE PAGES

    Long, Hai; Pivovar, Bryan S.

    2014-11-01

    The stability of cations used in the alkaline exchange membranes has been a major challenge. In this paper, degradation energy barriers were investigated by density functional theory for substituted benzyltrimethyl ammonium (BTMA+) cations. Findings show that electron-donating substituent groups at meta-position(s) of the benzyl ring could result in increased degradation barriers. However, after investigating more than thirty substituted BTMA+ cations, the largest improvement in degradation barrier found was only 6.7 kJ/mol. This suggests a modest (8×) improvement in stability for this type of approach may be possible, but for anything greater other approaches will need to be pursued.

  16. Anti-inflammatory activity effect of 2-substituted-1,4,5,6-tetrahydrocyclopenta[b]pyrrole on TPA-induced skin inflammation in mice.

    PubMed

    Xu, Xue-Tao; Mou, Xue-Qing; Xi, Qin-Mei; Liu, Wei-Ting; Liu, Wen-Feng; Sheng, Zhao-Jun; Zheng, Xi; Zhang, Kun; Du, Zhi-Yun; Zhao, Su-Qing; Wang, Shao-Hua

    2016-11-01

    2-Substituted-1,4,5,6-tetrahydrocyclopenta[b]pyrrole, a key structural moiety exiting in many bioactive molecules, has been shown to have excellent selective activity on COX-2. In the present study, the anti-inflammatory activity and the underlying molecular mechanism of 2-substituted-1,4,5,6-tetrahydrocyclopenta[b]pyrrole on skin inflammation were assessed by 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced skin inflammation in mice. Most of the compounds showed anti-inflammatory activity on TPA-induced skin inflammation. The anti-inflammatory activity of compound 4 showed higher anti-inflammatory activity than celecoxib (3.2-fold). Compound 4 pretreatment resulted in markedly suppression of TPA-induced IL-1β, IL-6, TNF-α, and COX-2, respectively. Furthermore, the mechanical study indicated that the anti-inflammatory activity of compound 4 was associated with its ability to inhibit activation of factor kappa-κB (NF-κB) by blocking IκB kinase (IKK) activities. Accordingly, compound 4 could be used as a potential anti-inflammatory agent for skin inflammation. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Lateral Compression-I Pelvic Ring Injury: Not Benign to the Developing Fetus.

    PubMed

    Weinlein, John C; Mashru, Rakesh P; Perez, Edward A; Johnson, Sara E

    2018-02-01

    To determine whether certain patterns of pelvic ring injury are associated with more frequent intrauterine fetal demise (IUFD). Retrospective review. Level 1 trauma center. Of 44 pregnant patients with pelvic and/or acetabular fractures, 40 had complete records that allowed determination of fetal viability. χ2 tests were used for categorical variables (Fisher exact tests when expected cell counts were fewer than 5), and t tests were used for continuous variables. Fetal or maternal death. Sixteen patients had isolated acetabular fractures, 25 had isolated pelvic ring injuries, and 3 had acetabular fractures with concomitant pelvic ring injuries. Maternal and fetal mortality were 2% and 40%, respectively. No patients with isolated acetabular fractures experienced IUFD, compared with 68% (15/22) of those with isolated pelvic ring injuries (P < 0.0001). Eight (53%) of 15 IUFDs were associated with lateral compression (LC)-I pelvic ring injuries (Orthopaedic Trauma Association/Arbeitsgemeinschaft für Osteosynthesefragen 61-B2). Of the 13 LC-I pelvic ring injuries, 8 (62%) resulted in IUFD. Pelvic ring stability, Young-Burgess classification, and operative treatment were not associated with IUFD. Maternal Glasgow Coma Scale (average 13.2) and Injury Severity Score (average 18.2) at admission were predictive of IUFD. The most frequent pelvic fractures in gravid trauma patients are LC-I. Although the rate of maternal mortality was low, the risk of IUFD was quite high (40%). LC-I pelvic ring injuries often had catastrophic outcomes, with IUFD in 62% of cases. Prognostic Level III. See Instructions for Authors for a complete description of levels of evidence.

  18. Scattering rings in optically anisotropic porous silicon

    NASA Astrophysics Data System (ADS)

    Oton, C. J.; Gaburro, Z.; Ghulinyan, M.; Pancheri, L.; Bettotti, P.; Negro, L. Dal; Pavesi, L.

    2002-12-01

    We report the observation of strongly anisotropic scattering of laser light at oblique incidence on a (100)-oriented porous silicon layer. The scattered light forms cones tangent to the incident and reflected beams. The conical pattern is caused by scattering on the vertical walls of pores, which are straight along the layer thickness. The light cone defines structured light rings onto a screen normal to the cone axis. We explain the various structures by optical anisotropy of porous silicon. For the sample under analysis, we directly measure from the ring patterns a value of Δn/nord=8% of positive birefringence.

  19. Influence of Segmentation of Ring-Shaped NdFeB Magnets with Parallel Magnetization on Cylindrical Actuators

    PubMed Central

    Eckert, Paulo Roberto; Goltz, Evandro Claiton; Filho, Aly Ferreira Flores

    2014-01-01

    This work analyses the effects of segmentation followed by parallel magnetization of ring-shaped NdFeB permanent magnets used in slotless cylindrical linear actuators. The main purpose of the work is to evaluate the effects of that segmentation on the performance of the actuator and to present a general overview of the influence of parallel magnetization by varying the number of segments and comparing the results with ideal radially magnetized rings. The analysis is first performed by modelling mathematically the radial and circumferential components of magnetization for both radial and parallel magnetizations, followed by an analysis carried out by means of the 3D finite element method. Results obtained from the models are validated by measuring radial and tangential components of magnetic flux distribution in the air gap on a prototype which employs magnet rings with eight segments each with parallel magnetization. The axial force produced by the actuator was also measured and compared with the results obtained from numerical models. Although this analysis focused on a specific topology of cylindrical actuator, the observed effects on the topology could be extended to others in which surface-mounted permanent magnets are employed, including rotating electrical machines. PMID:25051032

  20. Influence of segmentation of ring-shaped NdFeB magnets with parallel magnetization on cylindrical actuators.

    PubMed

    Eckert, Paulo Roberto; Goltz, Evandro Claiton; Flores Filho, Aly Ferreira

    2014-07-21

    This work analyses the effects of segmentation followed by parallel magnetization of ring-shaped NdFeB permanent magnets used in slotless cylindrical linear actuators. The main purpose of the work is to evaluate the effects of that segmentation on the performance of the actuator and to present a general overview of the influence of parallel magnetization by varying the number of segments and comparing the results with ideal radially magnetized rings. The analysis is first performed by modelling mathematically the radial and circumferential components of magnetization for both radial and parallel magnetizations, followed by an analysis carried out by means of the 3D finite element method. Results obtained from the models are validated by measuring radial and tangential components of magnetic flux distribution in the air gap on a prototype which employs magnet rings with eight segments each with parallel magnetization. The axial force produced by the actuator was also measured and compared with the results obtained from numerical models. Although this analysis focused on a specific topology of cylindrical actuator, the observed effects on the topology could be extended to others in which surface-mounted permanent magnets are employed, including rotating electrical machines.

  1. Remarkable regioselective position-10 bromination of bacteriopyropheophorbide-a and ring-B reduced pyropheophorbide-a.

    PubMed

    Ethirajan, Manivannan; Joshi, Penny; William, White H; Ohkubo, Kei; Fukuzumi, Shunichi; Pandey, Ravindra K

    2011-04-15

    Both bacteriopyropheophorbide-a and ring-B reduced pyropheophorbide-a on reacting with NBS (N-bromosuccinamide) undergo electrophilic bromination to provide 10-bromo analogs. The electronic nature of the substituents present at position-3 did not make any difference in the regioselective outcome of the brominated products. These relatively stable brominated chlorins and bacteriochlorins provide an easy way of introducing a wide variety of functionalities, which could be extremely useful in developing improved agents for biomedical applications and supramolecular chemistry. © 2011 American Chemical Society

  2. How Do B-Learning and Learning Patterns Influence Learning Outcomes?

    PubMed Central

    Sáiz Manzanares, María Consuelo; Marticorena Sánchez, Raúl; García Osorio, César Ignacio; Díez-Pastor, José F.

    2017-01-01

    Learning Management System (LMS) platforms provide a wealth of information on the learning patterns of students. Learning Analytics (LA) techniques permit the analysis of the logs or records of the activities of both students and teachers on the on-line platform. The learning patterns differ depending on the type of Blended Learning (B-Learning). In this study, we analyse: (1) whether significant differences exist between the learning outcomes of students and their learning patterns on the platform, depending on the type of B-Learning [Replacement blend (RB) vs. Supplemental blend (SB)]; (2) whether a relation exists between the metacognitive and the motivational strategies (MS) of students, their learning outcomes and their learning patterns on the platform. The 87,065 log records of 129 students (69 in RB and 60 in SB) in the Moodle 3.1 platform were analyzed. The results revealed different learning patterns between students depending on the type of B-Learning (RB vs. SB). We have found that the degree of blend, RB vs. SB, seems to condition student behavior on the platform. Learning patterns in RB environments can predict student learning outcomes. Additionally, in RB environments there is a relationship between the learning patterns and the metacognitive and (MS) of the students. PMID:28559866

  3. How Do B-Learning and Learning Patterns Influence Learning Outcomes?

    PubMed

    Sáiz Manzanares, María Consuelo; Marticorena Sánchez, Raúl; García Osorio, César Ignacio; Díez-Pastor, José F

    2017-01-01

    Learning Management System (LMS) platforms provide a wealth of information on the learning patterns of students. Learning Analytics (LA) techniques permit the analysis of the logs or records of the activities of both students and teachers on the on-line platform. The learning patterns differ depending on the type of Blended Learning (B-Learning). In this study, we analyse: (1) whether significant differences exist between the learning outcomes of students and their learning patterns on the platform, depending on the type of B-Learning [Replacement blend (RB) vs. Supplemental blend (SB)]; (2) whether a relation exists between the metacognitive and the motivational strategies (MS) of students, their learning outcomes and their learning patterns on the platform. The 87,065 log records of 129 students (69 in RB and 60 in SB) in the Moodle 3.1 platform were analyzed. The results revealed different learning patterns between students depending on the type of B-Learning (RB vs. SB). We have found that the degree of blend, RB vs. SB, seems to condition student behavior on the platform. Learning patterns in RB environments can predict student learning outcomes. Additionally, in RB environments there is a relationship between the learning patterns and the metacognitive and (MS) of the students.

  4. The Crossings of Saturn Ring Plane by the Earth in 1995: Ring Thickness

    NASA Astrophysics Data System (ADS)

    Poulet, François; Sicardy, Bruno; Dumas, Christophe; Jorda, Laurent; Tiphène, Didier

    2000-05-01

    The crossings of Saturn's ring plane by Earth were observed in the near infrared on May 22 and August 10, 1995, from the 2.2-m telescope of the University of Hawaii, the 2-m telescope at Pic du Midi, France, and with the Adonis adaptive optics camera at the 3.6-m telescope of the European Southern Observatory in Chile. Images from the Hubble Space Telescope, obtained in August 1995, are also reanalyzed. The radial brightness profiles of the rings indicate that the outer and usually faint F ring dominates the edge-on brightness of the system, thus hiding the vertical structure of the main rings within a few hours around the ring plane crossing. The photometric behaviors of the A, B, and C rings and of the Cassini Division are analyzed, using a radiative transfer code which includes the illuminations by the Sun and by the planet. The F ring is modeled as a physically thick ribbon of height H, composed of large particles embedded in dust of fractional optical depth f. The observed profiles, combined with previous results, can be explained if the F ring is both optically thick ( radial optical depth ˜0.20) and physically thick ( H=21±4 km). We suggest that this vertical distribution results from the interactions between ring particles and shepherding satellites and/or from gravitational stirring by large bodies. The dust particles dominate the F ring's photometric behavior even in backscattered light ( f>0.80). Constraints on the particle properties of the other rings are also derived.

  5. What confines the rings of Saturn?

    NASA Astrophysics Data System (ADS)

    Tajeddine, Radwan; Nicholson, Philip D.; El Moutamid, Maryame; Longaretti, Pierre-Yves; Burns, Joseph A.

    2017-10-01

    The viscous spreading of planetary rings is believed to be counteracted by satellite torques, either through an individual resonance or through overlapping resonances (when the satellite is close to the ring edge). For the A ring of Saturn, it has been commonly believed that the satellite Janus alone can prevent the ring from spreading via its 7:6 Lindblad resonance. We discuss this common misconception and show that, in reality, the A ring is confined by the contributions from the group of satellites Pan, Atlas, Prometheus, Pandora, Janus, Epimetheus, and Mimas, whose resonances gradually decrease the angular momentum flux transported outward through the ring via density and bending waves. We further argue that this decrease in angular momentum flux occurs through the mechanism of ‘flux reversal’.We find that the Janus 7:6 torque is relatively feeble, as is the comparable torque of the nearby small satellite Atlas, each amounting to less than one-tenth of the angular momentum transport carried by the A ring. But the cumulative torques of the many other satellite resonances in the A ring sufficiently reduce the angular momentum flux through the rings so that the torques due to Janus and Atlas are effective in confining the outer edge of the ring.Furthermore, we use the magnitude of the satellites’ resonance torques to estimate the effective viscosity profile across the A ring, showing that it decreases from ~50 cm2 s-1 at the inner edge to less than ~11 cm2 s-1 at the outer edge. The gradual estimated decrease of the angular momentum flux and effective viscosity are roughly consistent with results obtained by balancing the shepherding torques from Pan and Daphnis with the viscous torque at the edges of the Encke and Keeler gaps, as well as the edge of the A ring.On the other hand, the Mimas 2:1 Lindblad resonance alone seems to be capable of confining the edge of the B ring, and contrary to the situation in the A ring, we show that the effective viscosity

  6. ``Coffee-ring'' patterns of polymer droplets

    NASA Astrophysics Data System (ADS)

    Biswas, Nupur; Datta, Alokmay

    2013-02-01

    Dried droplets of polymer solutions carries the self-assembly behavior of polymer molecules by forming various patterns. Pattern formation is a consequence of deposition of molecules depending on motion of the contact line during the drying process. The contact line motion depends on initial polymer concentrations and hence entanglement. Thus depending on entanglement the patterns represent the `particle' like or `collective' behavior of polymer molecules.

  7. Slow Strain Rate Testing for Hydrogen Embrittlement Susceptibility of Alloy 718 in Substitute Ocean Water

    NASA Astrophysics Data System (ADS)

    LaCoursiere, M. P.; Aidun, D. K.; Morrison, D. J.

    2017-05-01

    The hydrogen embrittlement susceptibility of near-peak-aged UNS N07718 (Alloy 718) was evaluated by performing slow strain rate tests at room temperature in air and substitute ocean water. Tests in substitute ocean water were accomplished in an environmental cell that enabled in situ cathodic charging under an applied potential of -1.1 V versus SCE. Some specimens were cathodically precharged for 4 or 16 weeks at the same potential in a 3.5 wt.% NaCl-distilled water solution at 50 °C. Unprecharged specimens tested in substitute ocean water exhibited only moderate embrittlement with plastic strain to failure decreasing by about 20% compared to unprecharged specimens tested in air. However, precharged specimens exhibited significant embrittlement with plastic strain to failure decreasing by about 70%. Test environment (air or substitute ocean water with in situ charging) and precharge time (4 or 16 weeks) had little effect on the results of the precharged specimens. Fracture surfaces of precharged specimens were typical of hydrogen embrittlement and consisted of an outer brittle ring related to the region in which hydrogen infused during precharging, a finely dimpled transition zone probably related to the region where hydrogen was drawn in by dislocation transport, and a central highly dimpled ductile region. Fracture surfaces of unprecharged specimens tested in substitute ocean water consisted of a finely dimpled outer ring and heavily dimpled central region typical of ductile fracture.

  8. Isoprenoid-substituted flavonoids from wood of Artocarpus heterophyllus on B16 melanoma cells: cytotoxicity and structural criteria.

    PubMed

    Arung, Enos Tangke; Yoshikawa, Keisuke; Shimizu, Kuniyoshi; Kondo, Ryuichiro

    2010-03-01

    As a result of cytotoxicity-guided fractionation, nine flavonoids, artocarpin (1), cudraflavone C (2), 6-prenylapigenin (3), kuwanon C (4), norartocarpin (5), albanin A (6), cudraflavone B (7), brosimone I (8) and artocarpanone (9) were identified from the methanol extract of the wood of Artocarpus heterophyllus, known commonly as Nangka in Indonesia. A structure-activity investigation of the effect of these isolated compounds (1-9) and structurally related compounds on B16 melanoma cells indicated that isoprenoid moiety substitutions in flavonoids enhance their cytotoxicity, and that the position of attachment and the number of isoprenoid-substituent moieties per molecule influence flavonoid cytotoxicity. 2009 Elsevier B.V. All rights reserved.

  9. Ring structure amino acids affect the suppressor activity of melon aphid-borne yellows virus P0 protein.

    PubMed

    Han, Yan-Hong; Xiang, Hai-Ying; Wang, Qian; Li, Yuan-Yuan; Wu, Wen-Qi; Han, Cheng-Gui; Li, Da-Wei; Yu, Jia-Lin

    2010-10-10

    Melon aphid-borne yellows virus (MABYV) is a newly identified polerovirus occurring in China. Here, we demonstrate that the MABYV encoded P0 (P0(MA)) protein is a strong suppressor of post-transcriptional gene silencing (PTGS) with activity comparable to tobacco etch virus (TEV) HC-Pro. In addition we have shown that the LP F-box motif present at the N-terminus of P0(MA) is required for suppressor activity. Detailed mutational analyses on P0(MA) revealed that changing the conserved Trp 212 with non-ring structured amino acids altered silencing suppressor functions. Ala substitutions at positions 12 and 211 for Phe had no effect on P0 suppression-activity, whereas Arg and Glu substitutions had greatly decreased suppressor activity. Furthermore, substitutions targeting Phe at position 30 also resulted in reduced P0 suppression-activity. Altogether, these results suggest that ring structured Trp/Phe residues in P0 have important roles in suppressor activity. Copyright © 2010 Elsevier Inc. All rights reserved.

  10. Determinants of Base-Pair Substitution Patterns Revealed by Whole-Genome Sequencing of DNA Mismatch Repair Defective Escherichia coli.

    PubMed

    Foster, Patricia L; Niccum, Brittany A; Popodi, Ellen; Townes, Jesse P; Lee, Heewook; MohammedIsmail, Wazim; Tang, Haixu

    2018-06-15

    Mismatch repair (MMR) is a major contributor to replication fidelity, but its impact varies with sequence context and the nature of the mismatch. Mutation accumulation experiments followed by whole-genome sequencing of MMR-defective E. coli strains yielded ≈30,000 base-pair substitutions, revealing mutational patterns across the entire chromosome. The base-pair substitution spectrum was dominated by A:T > G:C transitions, which occurred predominantly at the center base of 5'N A C3'+5'G T N3' triplets. Surprisingly, growth on minimal medium or at low temperature attenuated these mutations. Mononucleotide runs were also hotspots for base-pair substitutions, and the rate at which these occurred increased with run length. Comparison with ≈2000 base-pair substitutions accumulated in MMR-proficient strains revealed that both kinds of hotspots appeared in the wild-type spectrum and so are likely to be sites of frequent replication errors. In MMR-defective strains transitions were strand biased, occurring twice as often when A and C rather than T and G were on the lagging-strand template. Loss of nucleotide diphosphate kinase increases the cellular concentration of dCTP, which resulted in increased rates of mutations due to misinsertion of C opposite A and T. In an mmr ndk double mutant strain, these mutations were more frequent when the template A and T were on the leading strand, suggesting that lagging-strand synthesis was more error-prone or less well corrected by proofreading than was leading strand synthesis. Copyright © 2018, Genetics.

  11. Indolyl aryl sulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors: role of two halogen atoms at the indole ring in developing new analogues with improved antiviral activity.

    PubMed

    Regina, Giuseppe La; Coluccia, Antonio; Piscitelli, Francesco; Bergamini, Alberto; Sinistro, Anna; Cavazza, Antonella; Maga, Giovanni; Samuele, Alberta; Zanoli, Samantha; Novellino, Ettore; Artico, Marino; Silvestri, Romano

    2007-10-04

    Indolyl aryl sulfones bearing the 4,5-difluoro (10) or 5-chloro-4-fluoro (16) substitution pattern at the indole ring were potent inhibitors of HIV-1 WT and the NNRTI-resistant strains Y181C and K103N-Y181C. These compounds were highly effective against the 112 and the AB1 strains in lymphocytes and inhibited at nanomolar concentration the multiplication of the IIIBBa-L strain in macrophages. Compound 16 was exceptionally potent against RT WT and RTs carrying the K103N, Y181I, and L100I mutations.

  12. Copper Causes Regiospecific Formation of C4F8-Containing Six-Membered Rings and their Defluorination/Aromatization to C4F4-Containing Rings in Triphenylene/1,4-C4F8I2 Reactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rippy, Kerry C.; Bukovsky, Eric V.; Clikeman, Tyler T.

    The presence of Cu in reactions of triphenylene (TRPH) and 1,4-C4F8I2 at 360 °C led to regiospecific substitution of TRPH ortho C(β) atoms to form C4F8-containing rings, completely suppressing substitution on C(α) atoms. In addition, Cu caused selective reductive-defluorination/aromatization (RD/A) to form C4F4- containing aromatic rings. Without Cu, the reactions of TRPH and 1,4- C4F8I2 were not regiospecific and no RD/A was observed. These results, supported by DFT calculations, are the first examples of Cupromoted (i) regiospecific perfluoroannulation, (ii) preparative C–F activation, and (iii) RD/A. HPLC-purified products were characterized by X-ray diffraction, low-temperature PES, and 1H/19F NMR.

  13. Pathogenic Chlamydia Lack a Classical Sacculus but Synthesize a Narrow, Mid-cell Peptidoglycan Ring, Regulated by MreB, for Cell Division

    PubMed Central

    Packiam, Mathanraj; Hsu, Yen-Pang; Tekkam, Srinivas; Hall, Edward; Rittichier, Jonathan T.; VanNieuwenhze, Michael; Brun, Yves V.; Maurelli, Anthony T.

    2016-01-01

    The peptidoglycan (PG) cell wall is a peptide cross-linked glycan polymer essential for bacterial division and maintenance of cell shape and hydrostatic pressure. Bacteria in the Chlamydiales were long thought to lack PG until recent advances in PG labeling technologies revealed the presence of this critical cell wall component in Chlamydia trachomatis. In this study, we utilize bio-orthogonal D-amino acid dipeptide probes combined with super-resolution microscopy to demonstrate that four pathogenic Chlamydiae species each possess a ≤ 140 nm wide PG ring limited to the division plane during the replicative phase of their developmental cycles. Assembly of this PG ring is rapid, processive, and linked to the bacterial actin-like protein, MreB. Both MreB polymerization and PG biosynthesis occur only in the intracellular form of pathogenic Chlamydia and are required for cell enlargement, division, and transition between the microbe’s developmental forms. Our kinetic, molecular, and biochemical analyses suggest that the development of this limited, transient, PG ring structure is the result of pathoadaptation by Chlamydia to an intracellular niche within its vertebrate host. PMID:27144308

  14. Pathogenic Chlamydia Lack a Classical Sacculus but Synthesize a Narrow, Mid-cell Peptidoglycan Ring, Regulated by MreB, for Cell Division.

    PubMed

    Liechti, George; Kuru, Erkin; Packiam, Mathanraj; Hsu, Yen-Pang; Tekkam, Srinivas; Hall, Edward; Rittichier, Jonathan T; VanNieuwenhze, Michael; Brun, Yves V; Maurelli, Anthony T

    2016-05-01

    The peptidoglycan (PG) cell wall is a peptide cross-linked glycan polymer essential for bacterial division and maintenance of cell shape and hydrostatic pressure. Bacteria in the Chlamydiales were long thought to lack PG until recent advances in PG labeling technologies revealed the presence of this critical cell wall component in Chlamydia trachomatis. In this study, we utilize bio-orthogonal D-amino acid dipeptide probes combined with super-resolution microscopy to demonstrate that four pathogenic Chlamydiae species each possess a ≤ 140 nm wide PG ring limited to the division plane during the replicative phase of their developmental cycles. Assembly of this PG ring is rapid, processive, and linked to the bacterial actin-like protein, MreB. Both MreB polymerization and PG biosynthesis occur only in the intracellular form of pathogenic Chlamydia and are required for cell enlargement, division, and transition between the microbe's developmental forms. Our kinetic, molecular, and biochemical analyses suggest that the development of this limited, transient, PG ring structure is the result of pathoadaptation by Chlamydia to an intracellular niche within its vertebrate host.

  15. Classification of group B streptococci with reduced β-lactam susceptibility (GBS-RBS) based on the amino acid substitutions in PBPs.

    PubMed

    Kimura, Kouji; Nagano, Noriyuki; Arakawa, Yoshichika

    2015-01-01

    All clinical isolates of group B Streptococcus (GBS; Streptococcus agalactiae) are considered uniformly susceptible to β-lactams, including penicillins. However, GBS with reduced penicillin susceptibility (PRGBS) were first identified by our group in Japan and have also been reported from North America. PRGBS are non-susceptible to penicillin because of acquisition of amino acid substitutions near the conserved active-site motifs in PBP2X. In particular, V405A and Q557E are considered the key amino acid substitutions responsible for penicillin non-susceptibility. We revealed that in addition to the substitutions in PBP2X, an amino acid substitution in PBP1A confers high-level cephalosporin resistance in GBS. As the number of publications on GBS with reduced β-lactam susceptibility (GBS-RBS), especially PRGBS, and concomitantly the need for a systematic classification of GBS-RBS is increasing, we propose here a classification of GBS-RBS based on the amino acid substitutions in their PBPs. © The Author 2015. Published by Oxford University Press on behalf of the British Society for Antimicrobial Chemotherapy. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  16. Emission of discrete vortex rings by a vibrating grid in superfluid 3He-B: a precursor to quantum turbulence.

    PubMed

    Bradley, D I; Clubb, D O; Fisher, S N; Guénault, A M; Haley, R P; Matthews, C J; Pickett, G R; Tsepelin, V; Zaki, K

    2005-07-15

    We report a transition in the vorticity generated by a grid moving in the B phase of superfluid 3He at Tring production at low grid velocities to quantum turbulence at higher velocities and that independent isolated vortex rings provide the precursors to the developed turbulence. Furthermore we believe that this may be a feature of all quantum turbulence arising from repetitive mechanical agitation.

  17. Distinct molecular structures and hydrogen bond patterns of α,α-diethyl-substituted cyclic imide, lactam, and acetamide derivatives in the crystalline phase

    NASA Astrophysics Data System (ADS)

    Krivoshein, Arcadius V.; Ordonez, Carlos; Khrustalev, Victor N.; Timofeeva, Tatiana V.

    2016-10-01

    α,α-Dialkyl- and α-alkyl-α-aryl-substituted cyclic imides, lactams, and acetamides show promising anticonvulsant, anxiolytic, and anesthetic activities. While a number of crystal structures of various α-substituted cyclic imides, lactams, and acetamides were reported, no in-depth comparison of crystal structures and solid-state properties of structurally matched compounds have been carried out so far. In this paper, we report molecular structure and intermolecular interactions of three α,α-diethyl-substituted compounds - 3,3-diethylpyrrolidine-2,5-dione, 3,3-diethylpyrrolidin-2-one, and 2,2-diethylacetamide - in the crystalline phase, as studied using single-crystal X-ray diffraction and IR spectroscopy. We found considerable differences in the patterns of H-bonding and packing of the molecules in crystals. These differences correlate with the compounds' melting points and are of significance to physical pharmacy and formulation development of neuroactive drugs.

  18. A Compact Annular Ring Microstrip Antenna for WSN Applications

    PubMed Central

    Wang, Daihua; Song, Linli; Zhou, Hanchang; Zhang, Zhijie

    2012-01-01

    A compact annular ring microstrip antenna was proposed for a wireless sensor network (WSN) application in the 2.4 GHz band. In this paper the major considerations of the conformal antenna design were the compact size and the impact on antenna's performance of a steel installation base. By using a chip resistor of large resistance (120 Ω) the antenna size was reduced to 38% of that a conventional annular ring patch antenna. With the addition of the steel installation base the resonant frequency of the antenna increases about 4.2% and the bandwidth reduces from 17.5% to 11.7% by adjusting the load resistance simultaneously. Several key parameters were discussed and optimized, and the antenna was fabricated and its performance measured. The antenna is well matched at 2.4 GHz with 34.2 dB return loss and –2.5 dBi peak gain. Meanwhile, it exhibits excellent radiation patterns with very low cross-polarization levels. PMID:23012510

  19. A compact annular ring microstrip antenna for WSN applications.

    PubMed

    Wang, Daihua; Song, Linli; Zhou, Hanchang; Zhang, Zhijie

    2012-01-01

    A compact annular ring microstrip antenna was proposed for a wireless sensor network (WSN) application in the 2.4 GHz band. In this paper the major considerations of the conformal antenna design were the compact size and the impact on antenna's performance of a steel installation base. By using a chip resistor of large resistance (120 Ω) the antenna size was reduced to 38% of that a conventional annular ring patch antenna. With the addition of the steel installation base the resonant frequency of the antenna increases about 4.2% and the bandwidth reduces from 17.5% to 11.7% by adjusting the load resistance simultaneously. Several key parameters were discussed and optimized, and the antenna was fabricated and its performance measured. The antenna is well matched at 2.4 GHz with 34.2 dB return loss and -2.5 dBi peak gain. Meanwhile, it exhibits excellent radiation patterns with very low cross-polarization levels.

  20. Alterations of rings B and C of colchicine are cumulative in overall binding to tubulin but modify each kinetic step.

    PubMed

    Dumortier, C; Gorbunoff, M J; Andreu, J M; Engelborghs, Y

    1996-12-10

    The role of the elimination of ring B and/or the modification of ring C of colchicine in tubulin binding kinetics and thermodynamics has been characterized, using four different molecules. These ligands are colchicine (COL); 2-methoxy-5-(2',3',4'-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-on e (MTC), in which the central ring B has been reduced to one bond; allocolchicine (ALLO), in which ring C has been replaced by a six-membered ring; and 2,3,4-trimethoxy-4'-carbomethoxy-1,1'-biphenyl (TCB), where the same two modifications are made simultaneously. This paper describes the kinetics of association of ALLO with tubulin. The binding is accompanied by a fluorescence increase with slow biphasic kinetics, indicating binding to fast and slow tubulin isotypes. Binding to each of these isotypes occurs in two steps: a fast initial binding followed by a slower isomerization step. The K1 and k2 values for ALLO at 25 degrees C are 14,000 +/- 2,000 and 25,000 +/- 6,000 M-1 (fast and slow isotypes) and 0.055 +/- 0.003 s-1 and 0.013 +/- 0.001 s-1 (fast and slow isotype), respectively. For ALLO the reaction standard enthalpy change of the initial binding is 68 +/- 5 kJ.mol-1 (fast isotype) and 45 +/- 33 kJ.mol-1 (slow isotype) and the activation energy for the second forward step is 58 +/- 14 kJ.mol-1 (fast isotype) and 81 +/- 17 kJ.mol-1 (slow isotype). Displacement kinetics of bound ALLO by podophyllotoxin was monoexponential. The activation energy for the isomerization in the off direction is 107 +/- 7 kJ.mol-1. Comparison of the thermodynamic parameters for all four compounds shows that the modifications of both rings are cumulative with respect to overall binding. For the intermediate state there is a mutual influence of both modifications, suggesting an alteration of the reaction pathway.

  1. Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine.

    PubMed

    Blair, J B; Marona-Lewicka, D; Kanthasamy, A; Lucaites, V L; Nelson, D L; Nichols, D E

    1999-03-25

    The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- and DOI-trained rats. Neither 3a nor 3b substituted for LSD or DOI up to doses of 50 micromol/kg. By comparison, 1a fully substituted in LSD-trained rats. However, 3a and 3b fully substituted for the 5-HT1A agonist LY293284 ((-)-(4R)-6-acetyl-4-(di-n-propylamino)-1,3,4, 5-tetrahydrobenz[c,d]indole). Both 3a and 3b induced a brief "serotonin syndrome" and salivation, an indication of 5-HT1A receptor activation. At the cloned human 5-HT2A receptor 3b had about twice the affinity of 3a. At the cloned human 5-HT2B and 5-HT2C receptors, however, 3a had about twice the affinity of 3b. Therefore, thiophene lacks equivalence as a replacement for the phenyl ring in the indole nucleus of tryptamines that bind to 5-HT2 receptor subtypes and possess LSD-like behavioral effects. Whereas both of the thienopyrroles had lower affinity than the corresponding 1a at 5-HT2 receptors, 3a and 3b had significantly greater affinity than 1a at the 5-HT1A receptor. Thus, thienopyrrole does appear to serve as a potent bioisostere for the indole nucleus in compounds that bind to the serotonin 5-HT1A receptor. These differences in biological activity suggest that serotonin receptor isoforms are very sensitive to subtle changes in the electronic character of the aromatic systems of indole compounds.

  2. 46 CFR 28.115 - Ring life buoys.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Ring life buoys. 28.115 Section 28.115 Shipping COAST... VESSELS Requirements for All Vessels § 28.115 Ring life buoys. (a) Except as provided in paragraph (b) of... life buoy as specified in table 28.115. If the vessel is equipped with a ring life buoy, at least one...

  3. 46 CFR 28.115 - Ring life buoys.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 1 2011-10-01 2011-10-01 false Ring life buoys. 28.115 Section 28.115 Shipping COAST... VESSELS Requirements for All Vessels § 28.115 Ring life buoys. (a) Except as provided in paragraph (b) of... life buoy as specified in table 28.115. If the vessel is equipped with a ring life buoy, at least one...

  4. 46 CFR 28.115 - Ring life buoys.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 1 2012-10-01 2012-10-01 false Ring life buoys. 28.115 Section 28.115 Shipping COAST... VESSELS Requirements for All Vessels § 28.115 Ring life buoys. (a) Except as provided in paragraph (b) of... life buoy as specified in table 28.115. If the vessel is equipped with a ring life buoy, at least one...

  5. 46 CFR 28.115 - Ring life buoys.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 1 2014-10-01 2014-10-01 false Ring life buoys. 28.115 Section 28.115 Shipping COAST... VESSELS Requirements for All Vessels § 28.115 Ring life buoys. (a) Except as provided in paragraph (b) of... life buoy as specified in table 28.115. If the vessel is equipped with a ring life buoy, at least one...

  6. 46 CFR 28.115 - Ring life buoys.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 1 2013-10-01 2013-10-01 false Ring life buoys. 28.115 Section 28.115 Shipping COAST... VESSELS Requirements for All Vessels § 28.115 Ring life buoys. (a) Except as provided in paragraph (b) of... life buoy as specified in table 28.115. If the vessel is equipped with a ring life buoy, at least one...

  7. Novel Bis-(arylsulfonamide) hydroxamate-Based Selective MMP Inhibitors

    PubMed Central

    Subramaniam, Rajesh; Haldar, Manas K.; Tobwala, Shakila; Ganguly, Bratati; Srivastava, D. K.; Mallik, Sanku

    2008-01-01

    A series of bis-(arylsulfonamide) hydroxamate inhibitors were synthesized. These compounds exhibit good potency against MMP-7 and MMP-9 depending on the nature, steric bulk and substitution pattern of the substituents in the benzene ring. In general, the preliminary structure-activity relationships (SAR) suggest that among the DAPA hydroxamates (i) electron-rich benzene rings of the sulfonamides may produce better inhibitors than electron-poor analogs. However, potential H-bond acceptors can reverse the trend depending on the isozyme; (ii) isozyme-selectivity between MMP-7 and -9 can be conferred through steric bulk and substitution pattern of the substituents in the benzene ring and (iii) the MMP-10 inhibition pattern of the compounds paralleled that for MMP-9. PMID:18442906

  8. Anti-cancer agents based on N-acyl-2, 3-dihydro-1H-pyrrolo[2,3-b] quinoline derivatives and a method of making

    DOEpatents

    Gakh, Andrei; Krasavin, Mikhail; Karapetian, Ruben; Rufanov, Konstantin A; Konstantinov, Igor; Godovykh, Elena; Soldatkina, Olga; Sosnov, Andrey V

    2013-04-16

    The present disclosure relates to novel compounds that can be used as anti-cancer agents in the prostate cancer therapy. In particular, the invention relates to N-acyl derivatives of 2,3-dihydro-1H-pyrrolo[2,3-b]quinolines having the structural Formula (I), ##STR00001## stereoisomers, tautomers, racemics, prodrugs, metabolites thereof, or pharmaceutically acceptable salt and/or solvate thereof. The meaning of R1 is independently selected from H; C1-C6 Alkyl, cyclo-Alkyl or iso-Alkyl substituents; R2 is selected from C1-C6 Alkyl, cyclo-Alkyl or iso-Alkyl; substituted or non-substituted, fused or non-fused to substituted or non-substituted aromatic ring, aryl or heteroaryl groups. The invention also relates to methods for preparing said compounds, and to pharmaceutical compositions comprising said compounds.

  9. [Plasma temperature of white-eye hexagonal pattern in dielectric barrier discharge].

    PubMed

    Zhao, Yang; Dong, Li-fang; Fu, Hong-yan

    2015-01-01

    By using the water-electrode discharge experimental setup, the white-eye hexagonal pattern is firstly observed and investigated in the dielectric barrier discharge with the mixture of argon and air whose content can be varied whenever necessary, and the study shows that the white-eye cell is an interleaving of three different hexagonal sub-structures: the spot, the ring, and the halo. The white-eye hexagonal pattern has the excellent discharge stability and sustainability during the experiment. Pictures recorded by ordinary camera with long exposure time in the same argon content condition show that the spot, the ring, and the halo of the white-eye hexagonal pattern have different brightness, which may prove that their plasma states are different. And, it is worth noting that there are obvious differences not only on the brightness but also on the color of the white-eye cell in conditions of different argon content, which shows that its plasma state also changed with the variation of the argon content. The white-eye hexagonal pattern is observed at a lower applied voltage so that the temperature of the water electrodes almost keeps unchanged during the whole experiment, which is advantageous for the long term stable measurement. The plasma state will not be affected by the temperature of the electrodes during the continuous discharge. Based on the above phenomena, plasma temperatures of the spot, the ring, and the halo in white-eye hexagonal pattern including molecule vibrational temperature and variations of electron density at different argon content are investigated by means of optical emission spectroscopy (OES). The emission spectra of the N2 second positive band(C3Πu-->B3Πg)are measured, and the molecule vibrational temperature of the spot, the ring, and the halo of the white-eye hexagonal pattern are calculated by the emission intensities. Furthermore, emission spectra of Ar I (2P2-->1S5)is collected and the changes of its width with different argon

  10. Reversible photochromic system based on rhodamine B salicylaldehyde hydrazone metal complex.

    PubMed

    Li, Kai; Xiang, Yu; Wang, Xiaoyan; Li, Ji; Hu, Rongrong; Tong, Aijun; Tang, Ben Zhong

    2014-01-29

    Photochromic molecules are widely applied in chemistry, physics, biology, and materials science. Although a few photochromic systems have been developed before, their applications are still limited by complicated synthesis, low fatigue resistance, or incomplete light conversion. Rhodamine is a class of dyes with excellent optical properties including long-wavelength absorption, large absorption coefficient, and high photostability in its ring-open form. It is an ideal chromophore for the development of new photochromic systems. However, known photochromic rhodamine derivatives, such as amides, exhibit only millisecond lifetimes in their colored ring-open forms, making their application very limited and difficult. In this work, rhodamine B salicylaldehyde hydrazone metal complex was found to undergo intramolecular ring-open reactions upon UV irradiation, which led to a distinct color and fluorescence change both in solution and in solid matrix. The complex showed good fatigue resistance for the reversible photochromism and long lifetime for the ring-open state. Interestingly, the thermal bleaching rate was tunable by using different metal ions, temperatures, solvents, and chemical substitutions. It was proposed that UV light promoted isomerization of the rhodamine B derivative from enol-form to keto-form, which induced ring-opening of the rhodamine spirolactam in the complex to generate color. The photochromic system was successfully applied for photoprinting and UV strength measurement in the solid state. As compared to other reported photochromic molecules, the system in this study has its advantages of facile synthesis and tunable thermal bleaching rate, and also provides new insights into the development of photochromic materials based on metal complex and spirolactam-containing dyes.

  11. A Computer Vision Approach to Identify Einstein Rings and Arcs

    NASA Astrophysics Data System (ADS)

    Lee, Chien-Hsiu

    2017-03-01

    Einstein rings are rare gems of strong lensing phenomena; the ring images can be used to probe the underlying lens gravitational potential at every position angles, tightly constraining the lens mass profile. In addition, the magnified images also enable us to probe high-z galaxies with enhanced resolution and signal-to-noise ratios. However, only a handful of Einstein rings have been reported, either from serendipitous discoveries or or visual inspections of hundred thousands of massive galaxies or galaxy clusters. In the era of large sky surveys, an automated approach to identify ring pattern in the big data to come is in high demand. Here, we present an Einstein ring recognition approach based on computer vision techniques. The workhorse is the circle Hough transform that recognise circular patterns or arcs in the images. We propose a two-tier approach by first pre-selecting massive galaxies associated with multiple blue objects as possible lens, than use Hough transform to identify circular pattern. As a proof-of-concept, we apply our approach to SDSS, with a high completeness, albeit with low purity. We also apply our approach to other lenses in DES, HSC-SSP, and UltraVISTA survey, illustrating the versatility of our approach.

  12. Magnetic properties enhancement of melt spun CoZrB ribbons by elemental substitutions

    NASA Astrophysics Data System (ADS)

    Chang, H. W.; Tsai, C. F.; Hsieh, C. C.; Shih, C. W.; Chang, W. C.; Shaw, C. C.

    2013-11-01

    Effect of elemental substitution of M (M=C, Cu, Ga, Al and Si) for Zr on the magnetic properties, phase evolution, and microstructure of melt spun Co80Zr18-xMxB2 (x=0-2) ribbons have been investigated. The x-ray diffraction (XRD) and thermal magnetic analysis (TMA) results showed that two magnetically soft phases, namely fcc-Co and Co23Zr6, coexisted with hard phase Co5Zr in Co80Zr17M1B2 ribbons with M=Cu, Ga, Al and Si, while an extra unknown magnetic phase was present in ribbons with M=C. The ribbons with M=C and Si were found to improve the remanence (σr) of the Co80Zr17M1B2 ribbons. However, only M=Si could improve the whole magnetic properties, including Br, intrinsic coercivity (iHc) and energy product ((BH)max) of the above ribbons. The optimal magnetic properties of Br=5.2 kG, iHc=4.5 kOe, and (BH)max=5.3 MGOe were obtained in Co80Zr17Si1B2 ribbons, which possessed Co5Zr and minor fcc-Co phases with much finer grain size (10-30 nm) in comparison with its counterpart Co80Zr18B2 (20-60 nm).

  13. Registration of DGE-3, a durum wheat disomic substitution line 1E(1B) involving a wheatgrass chromosome

    USDA-ARS?s Scientific Manuscript database

    Durum wheat (Triticum turgidum L., 2n = 4x = 28; AABB genomes) alien disomic substitution 1E(1B) line DGE-3 (PI 665473) was developed by the U.S. Department of Agriculture – Agricultural Research Service, Northern Crop Science Lab, Cereal Crops Research Unit, Fargo, ND and released in 2012. It was ...

  14. Interpretation of electron diffraction patterns from amorphous and fullerene-like carbon allotropes.

    PubMed

    Czigány, Zsolt; Hultman, Lars

    2010-06-01

    The short range order in amorphous and fullerene-like carbon compounds has been characterized by selected area electron diffraction (SAED) patterns and compared with simulations of model nanoclusters. Broad rings in SAED pattern from fullerene-like CN(x) at approximately 1.2, approximately 2, and approximately 3.5A indicate short-range order similar to that in graphite, but peak shifts indicate sheet curvature in agreement with high-resolution transmission electron microscopy images. Fullerene-like CP(x) exhibits rings at approximately 1.6 and 2.6A, which can be explained if it consists of fragments with short-range order and high curvature similar to that of C(20). Copyright 2010 Elsevier B.V. All rights reserved.

  15. Self-gravity wake structures in Saturn's a ring revealed by Cassini vims

    USGS Publications Warehouse

    Hedman, M.M.; Nicholson, P.D.; Salo, H.; Wallis, B.D.; Buratti, B.J.; Baines, K.H.; Brown, R.H.; Clark, R.N.

    2007-01-01

    During the summer of 2005, the Visual and Infrared Mapping Spectrometer onboard the Cassini spacecraft observed a series of occultations of the star o Ceti (Mira) by Saturn's rings. These observations revealed pronounced variations in the optical depth of the A ring with longitude, which can be attributed to oriented structures in the rings known as self-gravity wakes. While the wakes themselves are only tens of meters across and below the resolution of the measurements, we are able to obtain information about the orientation and shapes of these structures by comparing the observed transmission at different longitudes with predictions from a simple model. Our findings include the following: (1) The orientation of the wakes varies systematically with radius, trailing by between 64?? and 72?? relative to the local radial direction. (2) The maximum transmission peaks at roughly 8% for B = 3.45?? in the middle A ring (???129,000 km). (3) Both the wake orientation and maximum transmission vary anomalously in the vicinity of two strong density waves (Janus 5:4 and Mimas 5:3). (4) The ratio of the wake vertical thickness H to the wake pattern wavelength ?? (assuming infinite, straight, regularly-spaced wake structures) varies from 0.12 to 0.09 across the A ring. Gravitational instability theory predicts ?? ??? 60 m, which suggests that the wake structures in the A ring are only ???6 m thick. ?? 2007. The American Astronomical Society. All rights reserved.

  16. Mononuclear salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide.

    PubMed

    Specklin, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel

    2017-10-03

    A series of mononuclear salen-supported gallium amido/alkoxide derivatives were prepared and structurally characterized and subsequently used as initiators in rac-lactide ring-opening polymerisation (ROP). The reaction of variously substituted salen ligands (1a-1f) with 0.5 equiv. of Ga 2 (NMe 2 ) 6 allowed the isolation of the corresponding (salen)Ga-NMe 2 chelates (2b-2d, 2f) via an amine elimination route, as poorly soluble compounds in common solvents. The (salen)Ga-OBn derivatives (3a-3e) may be readily accessed by an amine-elimination/alcoholysis sequence and the molecular structures of 3a, 3d and 3e were confirmed through X-ray crystallography diffraction analysis. The present (salen)Ga-X species may effectively mediate the iso-selective ROP of rac-LA in a controlled manner (P m up to 0.77 using a 1/1 2f/BnOH mixture as ROP initiator), with a ROP activity greatly dependent upon steric hindrance and geometrical constraints imposed by the variously substituted salen ligands. Based on the present study, salen ligands with limited steric hindrance and a certain degree of flexibility appear best suited for iso-selective ROP by (salen)Ga chelates. The salen-gallium complex 3a is also effective for the controlled ROP of ε-caprolactone (CL) and the production of PCL-b-PLA copolymers.

  17. Microstructures, magnetic properties and coercivity mechanisms of Nd-Ce-Fe-B based alloys by Zr substitution

    NASA Astrophysics Data System (ADS)

    Wang, Lei; Quan, Qichen; Zhang, Lili; Hu, Xianjun; Ur Rehman, Sajjad; Jiang, Qingzheng; Du, Junfeng; Zhong, Zhenchen

    2018-03-01

    In this paper, the effects of Zr addition on microstructures, magnetic properties, exchange coupling, and coercivity mechanisms of Nd-Ce-Fe-B alloys fabricated by melt-spinning technique are investigated. It is found that the coercivity Hcj is enhanced significantly by Zr substitution in the (Nd0.8Ce0.2)13Fe82-xZrxB5 alloys, while the remanence Jr is reduced slightly. The Hcj increases from 12.2 to 13.7 kOe by adding Zr up to 1.5 at. %, whereas Hcj is decreased with a further increase in Zr content. The larger lattice constants and unit cell volumes of the matrix phase indicate that Zr atoms enter into the hard magnetic phase by substituting Fe sites. The reduction of Tc implies the attenuation of the exchange interaction in the 2:14:1 phase with Zr occupying the Fe sites. The weakened intergranular exchange coupling of the Zr added alloy may be attributed to the formation of a non-magnetic intergranular phase. It is worth noting that the coercivity is dominated by the pinning of domain walls at defect positions even though the nucleation of reversal domains still exists. The synergistic function between the pinning effect and the exchange coupling leads to improved magnetic properties.

  18. Anastomotic fibrous ring as cause of stricture recurrence after bulbar onlay graft urethroplasty.

    PubMed

    Barbagli, Guido; Guazzoni, Giorgio; Palminteri, Enzo; Lazzeri, Massimo

    2006-08-01

    We retrospectively reviewed patterns of failure after bulbar substitution urethroplasty. In particular we investigated the prevalence and location of anastomotic fibrous ring strictures occurring at the apical anastomoses between the graft and urethral plate after 3 types of onlay graft techniques. We reviewed the records of 107 patients who underwent bulbar urethroplasty between 1994 and 2004. Mean patient age was 44 years. Patients with lichen sclerosus, failed hypospadias repair or urethroplasty and panurethral strictures were excluded. A total of 45 patients underwent dorsal onlay skin graft urethroplasty, 50 underwent buccal mucosa onlay graft urethroplasty and 12 underwent augmented end-to-end urethroplasty. The clinical outcome was considered a success or failure at the time that any postoperative procedure was needed, including dilation. Mean followup was 74 months (range 12 to 130). Of 107 cases 85 (80%) were successful and 22 (20%) failed. Failure in 12 patients (11%) involved the whole grafted area and in 10 (9%) it involved the anastomotic site, which was distal and proximal in 5 each. Urethrography, urethral ultrasound and urethroscopy were fundamental for determining the difference between full-length and focal extension of re-stricture. Failures were treated with multistage urethroplasty in 12 cases, urethrotomy in 7 and 1-stage urethroplasty in 3. Of the patients 16 had a satisfactory final outcome and 6 underwent definitive perineal urinary diversion. The prevalence and location of anastomotic ring strictures after bulbar urethroplasty were uniformly distributed in after 3 surgical techniques using skin or buccal mucosa. Further studies are necessary to clarify the etiology of these fibrous ring strictures.

  19. Flexible band versus rigid ring annuloplasty for functional tricuspid regurgitation: two different patterns of right heart reverse remodelling

    PubMed Central

    Gatti, Giuseppe; Dell'Angela, Luca; Morosin, Marco; Maschietto, Luca; Pinamonti, Bruno; Benussi, Bernardo; Forti, Gabriella; Nicolosi, Gian Luigi; Sinagra, Gianfranco; Pappalardo, Aniello

    2016-01-01

    OBJECTIVES Annuloplasty bands and rings are widely used to treat functional tricuspid regurgitation (TR). However, the question as to which is the ideal annuloplasty device remains open. Early and late outcomes of tricuspid valve annuloplasty with flexible band (B-TVA) or rigid ring (R-TVA) are compared in the present study. METHODS Between 1999 and 2014, 462 consecutive patients (mean age, 69.2 ± 9.5 years) with grade ≥1+ functional TR (graded from 0 to 3+) underwent either B-TVA (n = 345; mean EuroSCORE II 9.2 ± 10.8%) or R-TVA (n = 117; mean EuroSCORE II 12 ± 13.4%) in addition to other cardiac procedures at the authors' institution. RESULTS One-to-one propensity score-matched analysis resulted in 98 pairs with similar baseline characteristics and operative risk. Hospital mortality was 7.5% after B-TVA and 12% after R-TVA (P = 0.14). R-TVA was associated with higher rates of low cardiac output (10.1 vs 17.9%, P = 0.025) and transient complete atrioventricular block (10.3 vs 17.2%, P = 0.046). Among the matched pairs, there were no significant differences in hospital mortality (5.1 vs 9.2%, P = 0.27) and perioperative complications. Both in overall series and matched pairs, between B-TVA and R-TVA patients, there were no significant differences in freedom from all-cause death (P = 0.29 and 0.91), cardiac and cerebrovascular deaths (P = 0.63 and 0.87) and grade ≥2+ TR (P = 0.68 and 0.77). Right atrial and tricuspid valve reverse remodelling combined with right ventricular reverse remodelling occurred after R-TVA but not after B-TVA. CONCLUSIONS B-TVA and R-TVA are equally effective in the treatment of functional TR. However, R-TVA causes over time a more complete right heart reverse remodelling. PMID:26993479

  20. Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions.

    PubMed

    Yu, Yang; Stevensson, Baltzar; Edén, Mattias

    2017-10-19

    The short and intermediate range structures of a large series of bioactive borophosphosilicate (BPS) glasses were probed by solid-state nuclear magnetic resonance (NMR) spectroscopy and atomistic molecular dynamics (MD) simulations. Two BPS glass series were designed by gradually substituting SiO 2 by B 2 O 3 in the respective phosphosilicate base compositions 24.1Na 2 O-23.3CaO-48.6SiO 2 -4.0P 2 O 5 ("S49") and 24.6Na 2 O-26.7CaO-46.1SiO 2 -2.6P 2 O 5 ("S46"), the latter constituting the "45S5 Bioglass" utilized for bone grafting applications. The BPS glass networks are built by interconnected SiO 4 , BO 4 , and BO 3 moieties, whereas P exists mainly as orthophosphate anions, except for a minor network-associated portion involving P-O-Si and P-O-B [4] motifs, whose populations were estimated by heteronuclear 31 P{ 11 B} NMR experimentation. The high Na + /Ca 2+ contents give fragmented glass networks with large amounts of nonbridging oxygen (NBO) anions. The MD-generated glass models reveal an increasing propensity for NBO accommodation among the network units according to BO 4 < SiO 4 < BO 3 ≪ PO 4 . The BO 4 /BO 3 intermixing was examined by double-quantum-single-quantum correlation 11 B NMR experiments, which evidenced the presence of all three BO 3 -BO 3 , BO 3 -BO 4 , and BO 4 -BO 4 connectivities, with B [3] -O-B [4] bridges dominating. Notwithstanding that B [4] -O-B [4] linkages are disfavored, both NMR spectroscopy and MD simulations established their presence in these modifier-rich BPS glasses, along with non-negligible B [4] -NBO contacts, at odds with the conventional structural view of borosilicate glasses. We discuss the relative propensities for intermixing of the Si/B/P network formers. Despite the absence of pronounced preferences for Si-O-Si bond formation, the glass models manifest subtle subnanometer-sized structural inhomogeneities, where SiO 4 tetrahedra tend to self-associate into small chain/ring motifs embedded in BO 3 /BO 4 -dominated

  1. A Compact Trench-Assisted Multi-Orbital-Angular-Momentum Multi-Ring Fiber for Ultrahigh-Density Space-Division Multiplexing (19 Rings × 22 Modes)

    PubMed Central

    Li, Shuhui; Wang, Jian

    2014-01-01

    We present a compact (130 μm cladding diameter) trench-assisted multi-orbital-angular-momentum (OAM) multi-ring fiber with 19 rings each supporting 22 modes with 18 OAM ones. Using the high-contrast-index ring and trench designs, the trench-assisted multi-OAM multi-ring fiber (TA-MOMRF) features both low-level inter-mode crosstalk and inter-ring crosstalk within a wide wavelength range (1520 to 1630 nm), which can potentially enable Pbit/s total transmission capacity and hundreds bit/s/Hz spectral efficiency in a single TA-MOMRF. Moreover, the effective refractive index difference of even and odd fiber eigenmodes induced by the ellipticity of ring and fiber bending and their impacts on the purity of OAM mode and mode coupling/crosstalk are analyzed. It is found that high-order OAM modes show preferable tolerance to the ring ellipticity and fiber bending. The designed fiber offers favorable tolerance to both small ellipticity of ring (<−22 dB crosstalk under an ellipticity of 0.5%) and small bend radius (<−20 dB crosstalk under a bend radius of 2 cm). PMID:24458159

  2. Symmetrical collision of multiple vortex rings

    NASA Astrophysics Data System (ADS)

    Hernández, R. H.; Reyes, T.

    2017-10-01

    In this work, we investigate the motion, interaction, and simultaneous collision between many initially stable vortex rings arranged symmetrically in two initial configurations, three and six rings making an angle of 60 and 120° between their straight path lines, respectively. We report results for laminar vortex rings in air obtained through numerical simulations of the ring velocity, pressure, and vorticity fields, both in free flight and during the entire collision. Each collision was studied for small Reynolds numbers R e <1 03 based on both the self-induced velocity and diameter of the ring. The case of three rings produces secondary vortical structures formed by laterally expanding dipolar arms with top and bottom secondary vortex rings. The case of six colliding rings produces, as secondary structures, two big rings moving in opposite directions, a process that reminds us of the head-on collision of two rings [T. T. Lim and T. B. Nickels, "Instability and reconnection in the head-on collision of two vortex rings," Nature 357, 225-227 (1992)] under a hypothetical time reversal transformation. Both collisions display a characteristic kinetic energy evolution where mean collision stages can be identified within the range of Reynolds numbers investigated here.

  3. New structure–activity relationships of chalcone inhibitors of breast cancer resistance protein: polyspecificity toward inhibition and critical substitutions against cytotoxicity

    PubMed Central

    Rangel, Luciana Pereira; Winter, Evelyn; Gauthier, Charlotte; Terreux, Raphaël; Chiaradia-Delatorre, Louise D; Mascarello, Alessandra; Nunes, Ricardo J; Yunes, Rosendo A; Creczynski-Pasa, Tania B; Macalou, Sira; Lorendeau, Doriane; Baubichon-Cortay, Hélène; Ferreira-Pereira, Antonio; Di Pietro, Attilio

    2013-01-01

    Adenosine triphosphate-binding cassette subfamily G member 2 (ABCG2) plays a major role in cancer cell multidrug resistance, which contributes to low eifficacy of chemotherapy. Chalcones were recently found to be potent and specific inhibitors, but unfortunately display a significant cytotoxicity. A cellular screening against ABCG2-mediated mitoxantrone efflux was performed here by flow cytometry on 54 chalcone derivatives from three different series with a wide panel of substituents. The identified leads, with submicromolar IC50 (half maximal inhibitory concentration) values, showed that the previously identified 2′-OH-4′,6′-dimethoxyphenyl, as A-ring, could be efficiently replaced by a 2′-naphthyl group, or a 3′,4′-methylenedioxyphenyl with lower affinity. Such a structural variability indicates 3polyspecificity of the multidrug transporter for inhibitors. At least two methoxyl groups were necessary on B-ring for optimal inhibition, but substitution at positions 3, 4, and 5 induced cytotoxicity. The presence of a large O-benzyl substituent at position 4 and a 2′-naphthyl as A-ring markedly decreased the cytotoxicity, giving a high therapeutic ratio, which constitutes a critical requirement for future in-vivo assays in animal models. PMID:24109177

  4. Constraints on Particle Sizes in Saturn's G Ring from Ring Plane Crossing Observations

    NASA Astrophysics Data System (ADS)

    Throop, H. B.; Esposito, L. W.

    1996-09-01

    The ring plane crossings in 1995--96 allowed earth-based observations of Saturn's diffuse rings (Nicholson et al., Nature 272, 1996; De Pater et al. Icarus 121, 1996) at a phase angle of alpha ~ 5 deg . We calculate the G ring reflectance for steady state distributions of dust to km-sized bodies from a range of physical models which track the evolution of the G ring from its initial formation following the disruption of a progenitor satellite (Canup & Esposito 1996, \\ Icarus,\\ in press). We model scattering from the ring's small particles using an exact T-matrix method for nonspherical, absorptive particles (Mishchenko et al. 1996, \\ JGR Atmo., in press), large particles using the phase function and spectrum of Europa, and intermediate particles using a linear combination of the small and large limits. Two distinct particle size distributions from the CE96 model fit the observed spectrum. The first is that of a dusty ring, with the majority of ring reflectance in dust particles of relatedly shallow power law size distribution exponent q ~ 2.5. The second has equal reflectances from a) dust in the range q ~ 3.5 -- 6.5 and b) macroscopic bodies > 1 mm. In this second case, the respective slightly blue and red components combine to form the observed relatively flat spectrum. Although light scattering in backscatter is not sufficient to completely constrain the G ring size distribution, the distributions predicted by the CE96 model can explain the earth-based observations.

  5. Disordered organic electronic materials based on non-benzenoid 1,6-methano[10]annulene rings

    DOEpatents

    Tovar, John D; Streifel, Benjamin C; Peart, Patricia A

    2014-10-07

    Conjugated polymers and small molecules including the nonplanar aromatic 1,6-methano[10]annulene ring structure along with aromatic subunits, such as diketopyrrolopyrrole, and 2,1,3-benzothiadiazole, substituted with alkyl chains in a "Tail In," "Tail Out," or "No Tail" regiochemistry are disclosed.

  6. Computational Study of Intramolecular Heterocyclic Ring Formation with Cyclic Phosphazenes.

    PubMed

    Miller, Whelton A; Moore, Preston B

    2014-08-01

    Polyphosphazenes, because of their unique properties, have generated many opportunities to explore a variety of applications. These applications include areas such as biomedical research (e.g. drug delivery) and material science (e.g. fire-resistant polymers). Phosphazenes potentially have more variations then benzene analogues because of different substitution patterns. Here we present A computational study of the chemical modifications to a group of cyclic phosphazenes mainly hexachlorophosphazene (PNCl 2 ) 3 . This study focuses on the relative energies of reactivity of hexachlorophosphazene to understand their geometry and the complexes they likely form. We compare diols, amino alcohols, and diamines with a carbon linker of 1-7 atoms. These heteroatom chains are attached to a single phosphorus atom or adjoining phosphorus atoms to form ring structures of geminal, vicinal (cis), and vicinal (trans) moieties. We find that the reactivities of "heteroatom caps" are predicted to be O,O (diol) > N,O (amino alcohol) > N,N (diamine). These results can be used to predict energetics and thus the stability of new compounds for biomedical and industrial applications.

  7. An Electrostatically Self-Assembled Thin Film Made of Zn-Substituted Tungstoborate and Rhodamine B with Photoelectrochemical Properties.

    PubMed

    Mao, Xu; Zhang, Jia-Ning; Gao, Li-Hua; Su, Yu; Chen, Peng-Xia; Wang, Ke-Zhi

    2016-04-01

    An electrostatically self-assembled multilayer thin film consisting of alternating layers of Keggin polyoxometalate of Zn-substituted tungstoborate (BW11Zn) and Rhodamine B (RhB) has successfully been prepared on a quartz and indium-tin oxide (ITO) glass substrate. The ultraviolet-visible (UV-vis) absorption spectra demonstrated that the electrostatically self-assembled film of (BW11Zn/RhB)n was uniformly deposited layer by layer, and the RhB molecules in the film formed the J-aggregation. The photoelectrochemical investigations showed that the films generated stable cathodic photocurrents that originated from RhB, and the maximal cathodic photocurrent density generated by an eight-layer film was 4.9 µA/cm2 while the film was irradiated with 100 mW/cm2 polychromatic light of 730 nm > λ > 325 nm at an applied potential of 0 V versus a saturated calomel electrode.

  8. Transport electron through a quantum wire by side-attached asymmetric quantum-dot rings

    NASA Astrophysics Data System (ADS)

    Rostami, A.; Zabihi, S.; Rasooli S., H.; Seyyedi, S. K.

    2011-12-01

    The electronic conductance at zero temperature through a quantum wire with side-attached asymmetric quantum ring (as a scatter system) is theoretically studied using the non-interacting Anderson tunneling Hamiltonian method. We show that the asymmetric configuration of QD- scatter system strongly impresses the amplitude and spectrum of quantum wire nanostructure transmission characteristics. It is shown that whenever the balanced number of quantum dots in two rings is substituted by unbalanced scheme, the number of forbidden mini-bands in quantum wire conductance increases and QW-nanostructure electronic conductance contains rich spectral properties due to appearance of the new anti-resonance and resonance points in spectrum. Considering the suitable gap between nano-rings can strengthen the amplitude of new resonant peaks in the QW conductance spectrum. The proposed asymmetric quantum ring scatter system idea in this paper opens a new insight on designing quantum wire nano structure for given electronic conductance.

  9. Dibenzo[b,f][1,4]oxazepines and dibenzo[b,e]oxepines: Influence of the chlorine substitution pattern on the pharmacology at the H1R, H4R, 5-HT2AR and other selected GPCRs.

    PubMed

    Naporra, Franziska; Gobleder, Susanne; Wittmann, Hans-Joachim; Spindler, Julia; Bodensteiner, Michael; Bernhardt, Günther; Hübner, Harald; Gmeiner, Peter; Elz, Sigurd; Strasser, Andrea

    2016-11-01

    Inspired by VUF6884 (7-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine), reported as a dual H 1 /H 4 receptor ligand (pK i : 8.11 (human H 1 R (hH 1 R)), 7.55 (human H 4 R (hH 4 R))), four known and 28 new oxazepine and related oxepine derivatives were synthesised and pharmacologically characterized at histamine receptors and selected aminergic GPCRs. In contrast to the oxazepine series, within the oxepine series, the new compounds showed high affinity to the hH 1 R (pK i : 6.8-8.7), but no or moderate affinity to the hH 4 R (pK i :≤5.3). For one oxepine derivative (1-(2-Chloro-6,11-dihydrodibenzo[b,e]oxepin-11-yl)-4-methylpiperazine), the enantiomers were separated and the R-enantiomer was identified as the eutomer at the hH 1 R (pK i : 8.83 (R), 7.63 (S)) and the guinea-pig H 1 R (gpH 1 R) (pK i : 8.82 (R), 7.41 (S)). Molecular dynamic studies suggest that the tricyclic core of the compounds is bound in a similar mode into the binding pocket, as described for doxepine in the hH 1 R crystal structure. Moreover, docking studies of all oxepine derivatives at the hH 1 R indicate that the oxygen and the position of the chlorine in the tricyclic core determines, if the R- or the S-enantiomer is the eutomer. For some of the oxazepines and oxepines the affinity to other aminergic GPCRs is in the same range as to hH 1 R or hH 4 R, thus, those compounds have to be classified as dirty drugs. However, one oxazepine derivative (3,7-Dichloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine was identified as dual hH 1 /h5-HT 2A receptor ligand (pK i : 9.23 (hH 1 R), 8.74 (h5-HT 2A R), ≤7 at other analysed GPCRs), whereas one oxepine derivative (1-(3,8-Dichloro-6,11-dihydrodibenzo[b,e]oxepin-11-yl)-4-methylpiperazine) was identified as selective hH 1 R antagonist (pK i : 8.44 (hH 1 R), ≤6.7 at other analyzed GPCRs). Thus, the pharmacological results suggest that the oxazepine/oxepine moiety and additionally the chlorine substitution pattern toggles

  10. The Case for Massive and Ancient Rings of Saturn

    NASA Astrophysics Data System (ADS)

    Esposito, Larry W.

    2016-10-01

    Analysis of Voyager and Pioneer 11 results give a mass for Saturn's rings, M = 5 x 10-8 Msat. This is about the mass of Saturn's small moon Mimas. This has been interpreted as a lower limit to the ring mass (Esposito et al 1983), since the thickest parts of the rings were not penetrated by the stellar occultstion, and this calculation assumes an unvarying particle size throughout the rings. Because the rings are constantly bombarded by micrometeroids, their current composition of nearly pure water ice implies such low mass rings must have formed recently. The case is particularly strong for Saturn's A ring, where the data are the best, implying the A ring is less than 10% of the age of the Saturn (Esposito 1986). Cassini results compound this problem. UVIS spectra are consistent with either young rings or rings about 10x as massive as the Voyager estimate (Elliott and Esposito (2011). CDA confirms the impacting mass flux is similar to that assumed for the pollution calculations (Kempf etal 2015). VIMS analysis of density wave signatures in the B ring gives a value of about 1/3 the Voyager value (Hedmann etal 2016). This VIMS result implies the rings are even younger! The problem is that young rings are very unlikely to be formed recently, meaning that we live in a very special epoch, following some unlikely recent origin… like disruption of a medium sized moon or capture of the fragments of a disrupted comet (Charnoz etal 2009).To take the VIMS results at face value, Saturn's low mass rings must be very young. The optically thick B ring must be made of small, porous or fractal particles. An alternative is that we accept the higher mass interpretation of the Pioneer 11 results (Esposito etal 2008) using the granola bar model of Colwell etal 2007. This would imply that the density wave structure seen by VIMS is not sensing all the mass in the rings, where structure near strong resonances is dominted by temporary aggregates, and where non-linear effects cause the

  11. Does switching contraceptive from oral to a patch or vaginal ring change the likelihood of timely prescription refill?

    PubMed

    Law, Amy; Lee, Yi-Chien; Gorritz, Magdaliz; Plouffe, Leo

    2014-08-01

    This study evaluated contraceptive refill patterns of women insured commercially in the US who switched from oral contraceptives (OCs) to the patch or vaginal ring and assessed if switching contraceptive methods changes refill patterns. Women aged 15-44 with ≥2 patch or ring prescriptions and ≥2 OC prescriptions before the first patch/ring prescription were identified from the MarketScan® Commercial database (1/1/2002-6/30/2011). Refill patterns 1-year pre- and postindex date (first patch/ring prescription) were evaluated, and women were categorized as timely or delayed refillers on OCs and patch/ring. Regression modeling was used to investigate the association between refill patterns and contraceptive methods and switching effects on refill patterns. Of 17,814 women identified, 7901 switched to the patch, and 9913 switched to the ring. Among timely OC refillers, the percentage of timely refills decreased (patch: 95.6% to 79.4%, p<.001; ring: 96.5% to 74.3%, p<.001). However, among delayed OC refillers, the percentage of timely refills improved (patch: 47.9% to 72.2%, p<.001; ring: 50.4% to 64.0%, p<.001) during patch/ring use. Nonetheless, compared to timely OC refillers, women who were delayed OC refillers had 1.68-fold [95% confidence interval (CI): 1.52-1.84, p<.001] and 1.85-fold greater odds (CI: 1.69-2.02, p<.001) of being a delayed refiller while on the patch and ring, respectively. Switching to the patch or ring may improve refill behavior for women who have problems refilling OCs timely; however, the magnitude of the improvement may fail to improve ultimate contraceptive efficacy by simply switching to the patch or ring. The impact on timely refills of switching from OCs to either the patch or ring is complex and varies depending on the pattern of timely refills on OCs. Copyright © 2014 Elsevier Inc. All rights reserved.

  12. Cassini RSS occultation observations of density waves in Saturn's rings

    NASA Astrophysics Data System (ADS)

    McGhee, C. A.; French, R. G.; Marouf, E. A.; Rappaport, N. J.; Schinder, P. J.; Anabtawi, A.; Asmar, S.; Barbinis, E.; Fleischman, D.; Goltz, G.; Johnston, D.; Rochblatt, D.

    2005-08-01

    On May 3, 2005, the first of a series of eight nearly diametric occultations by Saturn's rings and atmosphere took place, observed by the Cassini Radio Science (RSS) team. Simultaneous high SNR measurements at the Deep Space Network (DSN) at S, X, and Ka bands (λ = 13, 3.6, and 0.9 cm) have provided a remarkably detailed look at the radial structure and particle scattering behavior of the rings. By virtue of the relatively large ring opening angle (B=-23.6o), the slant path optical depth of the rings was much lower than during the Voyager epoch (B=5.9o), making it possible to detect many density waves and other ring features in the Cassini RSS data that were lost in the noise in the Voyager RSS experiment. Ultimately, diffraction correction of the ring optical depth profiles will yield radial resolution as small as tens of meters for the highest SNR data. At Ka band, the Fresnel scale is only 1--1.5 km, and thus even without diffraction correction, the ring profiles show a stunning array of density waves. The A ring is replete with dozens of Pandora and Prometheus inner Lindblad resonance features, and the Janus 2:1 density wave in the B ring is revealed with exceptional clarity for the first time at radio wavelengths. Weaker waves are abundant as well, and multiple occultation chords sample a variety of wave phases. We estimate the surface mass density of the rings from linear density wave models of the weaker waves. For stronger waves, non-linear models are required, providing more accurate estimates of the wave dispersion relation, the ring surface mass density, and the angular momentum exchange between the rings and satellite. We thank the DSN staff for their superb support of these complex observations.

  13. Multichannel silicon WDM ring filters fabricated with DUV lithography

    NASA Astrophysics Data System (ADS)

    Lee, Jong-Moo; Park, Sahnggi; Kim, Gyungock

    2008-09-01

    We have fabricated 9-channel silicon wavelength-division-multiplexing (WDM) ring filters using 193 nm deep-ultraviolet (DUV) lithography and investigated the spectral properties of the ring filters by comparing the transmission spectra with and without an upper cladding. The average channel-spacing of the 9-channel WDM ring filter with a polymeric upper cladding is measured about 1.86 nm with the standard deviation of the channel-spacing about 0.34 nm. The channel crosstalk is about -30 dB, and the minimal drop loss is about 2 dB.

  14. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  15. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  16. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  17. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  18. Looking for rings and things

    NASA Astrophysics Data System (ADS)

    Kenworthy, Matthew

    2017-04-01

    It's not often that an astronomical object gets its own dedicated observatory, but as the planet Beta Pictoris b moves in front of its host star, its every move will be watched by bRing, eager to discover more about the planet's Hill sphere, explains Matthew Kenworthy.

  19. Synthesis, characterization and nonlinear optical properties of symmetrically substituted dibenzylideneacetone derivatives

    NASA Astrophysics Data System (ADS)

    Sunil Kumar Reddy, N.; Badam, Rajashekar; Sattibabu, Romala; Molli, Muralikrishna; Sai Muthukumar, V.; Siva Sankara Sai, S.; Rao, G. Nageswara

    2014-11-01

    We report here the nonlinear optical (NLO) properties of eight bis-chalcones of D-π-A-π-D type. These dibenzylideneacetone (DBA) derivatives are synthesized by Claisen-Schmidt reaction. The compounds are characterized by UV-vis, FTIR, 1H NMR, 13C NMR, mass spectroscopy and powder XRD. By substituting different groups (electron withdrawing and electron donating) at 'para' and 'meta' positions of the aromatic ring, we observed an enhancement in second harmonic generation with substitution at 'para' position. These compounds have also showed higher two-photon absorption compared to other chalcones reported in literature. These compounds, exhibiting both second and third order NLO effects, are plausible candidate materials in photonic devices.

  20. Boron Substituted Na 3 V 2 (P 1 -x B x O 4 ) 3 Cathode Materials with Enhanced Performance for Sodium-Ion Batteries

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hu, Pu; Wang, Xiaofang; Wang, Tianshi

    The development of excellent performance of Na-ion batteries remains great challenge owing to the poor stability and sluggish kinetics of cathode materials. Herein, B substituted Na 3V 2P 3–xB xO 12 (0 ≤ x ≤ 1) as stable cathode materials for Na-ion battery is presented. A combined experimental and theoretical investigations on Na 3V 2P 3–xB xO 12 (0 ≤ x ≤ 1) are undertaken to reveal the evolution of crystal and electronic structures and Na storage properties associated with various concentration of B. X-ray diffraction results indicate that the crystal structure of Na 3V 2P 3–xB xO 12 (0more » ≤ x ≤ 1/3) consisted of rhombohedral Na 3V 2(PO 4) 3 with tiny shrinkage of crystal lattice. X-ray absorption spectra and the calculated crystal structures all suggest that the detailed local structural distortion of substituted materials originates from the slight reduction of V–O distances. Na 3V 2P 3-1/6B 1/6O 12 significantly enhances the structural stability and electrochemical performance, giving remarkable enhanced capacity of 100 and 70 mAh g -1 when the C-rate increases to 5 C and 10 C. Spin-polarized density functional theory (DFT) calculation reveals that, as compared with the pristine Na 3V 2(PO 4) 3, the superior electrochemical performance of the substituted materials can be attributed to the emergence of new boundary states near the band gap, lower Na + diffusion energy barriers, and higher structure stability.« less

  1. Randomized comparison of bleeding patterns in women using a combined contraceptive vaginal ring or a low-dose combined oral contraceptive on a menstrually signaled regimen.

    PubMed

    Weisberg, Edith; Merki-Feld, Gabriele S; McGeechan, Kevin; Fraser, Ian S

    2015-02-01

    To compare bleeding patterns for 12 months continuous use of a contraceptive ring [contraceptive vaginal ring (CVR)] and pill [combined oral contraceptive (COC)] on a menstrually signaled regimen and the effectiveness of 4 days "treatment withdrawal" to stop bleeding. Women, 66 to each group, were randomized to continuous use of a CVR (15 mcg ethinyl estradiol/150 mcg etonogestrel) or a low-dose pill (20 mcg ethinyl estradiol/100 mcg levonorgestrel) for 360 days on a menstrually signaled regimen. Bleeding/spotting days, daily use of ring or pill, was recorded. Endpoint was the total number of bleeding/spotting days for each method over four 90-day reference periods (RP) plus the analysis of bleeding patterns using modified World Health Organization criteria. There was a reduction in the mean (±S.D.) number of bleeding/spotting days from RP1 (CVR 14.2±10; pill 16.6±10.9) to RP4 (CVR 8.8±9.6; pill 8.8±9.1). Fifteen percent of CVR and 4% COC users experienced amenorrhea or infrequent bleeding throughout the study. Amenorrhea increased over time (RP1 vs. RP4: CVR 10% vs. 21% and COC 2% vs. 30%). Compliance with the menstrually signaled regimen was poor. Ceasing hormones for 4 days stopped a bleeding episode within 5 days in the majority of episodes and many stopped spontaneously. Bleeding patterns with continuous use of the CVR and COC are similar and improve over 1 year of use. The unpredictability, but short duration, of bleeding episodes should be stressed during counseling. This information for clinicians and women about breakthrough bleeding patterns with use of a CVR or combined pill over 12 months using a menstrually signaled regimen will give women an indication of what to expect with continuous use. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. Chirality transfer effects in proline-substituted coumarin compounds.

    PubMed

    Park, Eun-Kyung; Park, Bongjeong; Choi, Jun-Ho; Choi, Kihang; Cho, Minhaeng

    2009-08-13

    Conformations of proline-substituted chromophores are determined by using circular dichroism (CD) spectroscopy and quantum chemistry calculation method. Coumarin is chosen for the optical chromophore and proline amino acid is attached to its C7 position. The coumarin-proline conjugate considered contains both fluorophore and peptide linker where any polypeptides or biomolecules can be additionally connected to the free carboxyl group of the proline. Thus, the coumarin-proline is a potentially useful composite chirality-probe system for studies of protein dynamics in solution. However, detailed conformation of coumarin ring with respect to the proline ring has to be determined first. We found that there are two possible conformers, which differ from each other by the relative orientation of the coumarin ring. Comparing the measured CD spectra with the calculated ones, we directly show that only one of the two conformers is dominant in polar solvents except for water. The present study suggests that the local structure around an optical chromophore, when it is introduced to polypeptides or other biomolecules, can be studied by examining the electronic optical activity of the probe chromophore, as long as the chirality transfer from the attached amino acid to the chromophore is significantly large.

  3. The 1995 Saturn Ring-Plane Crossings: Ring Thickness and Small Inner Satellites

    NASA Astrophysics Data System (ADS)

    Poulet, F.; Sicardy, B.

    1996-09-01

    The May 22() th and August 10() th, 1995, Saturn ring-plane crossings by the Earth were observed from the 2-m and 1-m telescopes at Pic du Midi, the 2.2-m telescope of the University of Hawaii, and with the Adonis adaptive optics camera at the 3.6-m telescope of the European Southern Observatory (ESO). Observations were made with either a 0.9 mu m or 2.2 mu m (short K) methane band filter. The radial brightness profiles of the rings indicate that the outer F ring dominates the apparent edge-on thickness of the system, with a vertically integrated equivalent width of 0.8-1.0 km near a radius of 130,000 km. The photometric behaviors of the A, B, and C rings and of the Cassini Division have been analyzed using a classical radiative transfer code which includes illumination by the Sun and by the planet. The F ring is modelled as a physically thick ribbon (thickness h) composed of large particles embedded in dust. The observed profiles can be explained if the F ring is both optically thick (tau ~ 0.15-0.25), and physically thick (h at least ~ 1.5 km). The large particles dominate the F ring's photometric behavior in backscattered light. Constraints on the particle properties in the other rings have been derived. The dimming of the rings around August 10, 1995 provided ideal conditions to study the small inner satellites. Besides Janus, Epimetheus and Pandora, two unresolved objects were detected in the ESO frames. They have been identified with the objects 1995S5 and 1995S6, detected several hours later by the Hubble Space Telescope (Nicholson et al. 1996, Science 272, 509--515). Combining the ESO and HST data, we derive orbital and photometric parameters for these objects. In particular, we improve the orbital parameters of 1995S5, whose orbital radius is now close to that of the F ring.

  4. Aromatic anchor at an invariant hormone-receptor interface: Function of insulin residue B24 with application to protein design

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pandyarajan, Vijay; Smith, Brian J.; Phillips, Nelson B.

    Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe B24, an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met B24 was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchormore » at the hormone-receptor interface. These findings motivated further substitution of Phe B24 by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha B24]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha B24 analog, determined as an R 6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe B24 at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Finally, our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility.« less

  5. Aromatic anchor at an invariant hormone-receptor interface: Function of insulin residue B24 with application to protein design

    DOE PAGES

    Pandyarajan, Vijay; Smith, Brian J.; Phillips, Nelson B.; ...

    2014-10-10

    Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe B24, an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met B24 was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchormore » at the hormone-receptor interface. These findings motivated further substitution of Phe B24 by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha B24]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha B24 analog, determined as an R 6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe B24 at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Finally, our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility.« less

  6. Aromatic anchor at an invariant hormone-receptor interface: function of insulin residue B24 with application to protein design.

    PubMed

    Pandyarajan, Vijay; Smith, Brian J; Phillips, Nelson B; Whittaker, Linda; Cox, Gabriella P; Wickramasinghe, Nalinda; Menting, John G; Wan, Zhu-li; Whittaker, Jonathan; Ismail-Beigi, Faramarz; Lawrence, Michael C; Weiss, Michael A

    2014-12-12

    Crystallographic studies of insulin bound to fragments of the insulin receptor have recently defined the topography of the primary hormone-receptor interface. Here, we have investigated the role of Phe(B24), an invariant aromatic anchor at this interface and site of a human mutation causing diabetes mellitus. An extensive set of B24 substitutions has been constructed and tested for effects on receptor binding. Although aromaticity has long been considered a key requirement at this position, Met(B24) was found to confer essentially native affinity and bioactivity. Molecular modeling suggests that this linear side chain can serve as an alternative hydrophobic anchor at the hormone-receptor interface. These findings motivated further substitution of Phe(B24) by cyclohexanylalanine (Cha), which contains a nonplanar aliphatic ring. Contrary to expectations, [Cha(B24)]insulin likewise exhibited high activity. Furthermore, its resistance to fibrillation and the rapid rate of hexamer disassembly, properties of potential therapeutic advantage, were enhanced. The crystal structure of the Cha(B24) analog, determined as an R6 zinc-stabilized hexamer at a resolution of 1.5 Å, closely resembles that of wild-type insulin. The nonplanar aliphatic ring exhibits two chair conformations with partial occupancies, each recapitulating the role of Phe(B24) at the dimer interface. Together, these studies have defined structural requirements of an anchor residue within the B24-binding pocket of the insulin receptor; similar molecular principles are likely to pertain to insulin-related growth factors. Our results highlight in particular the utility of nonaromatic side chains as probes of the B24 pocket and suggest that the nonstandard Cha side chain may have therapeutic utility. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  7. Effects of Aromatic Fluorine Substitution on Protonated Neurotransmitters: The Case of 2-Phenylethylamine.

    PubMed

    Schütz, Markus; Bouchet, Aude; Chiavarino, Barbara; Crestoni, Maria Elisa; Fornarini, Simonetta; Dopfer, Otto

    2016-06-06

    Fluorination of pharmaceutical compounds is a common tool to modulate their physiochemical properties. We determine the effects of site-specific aromatic fluorine substitution on the geometric, energetic, vibrational, and electronic properties of the protonated neurotransmitter 2-phenylethylamine (xF-H(+) PEA, x=ortho, meta, para) by infrared multiphoton photodissociation (IRMPD) in the fingerprint range (600-1750 cm(-1) ) and quantum chemical calculations at the B3LYP-D3/aug-cc-pVTZ level. The IRMPD spectra of all ions are assigned to their folded gauche conformers stabilized by intramolecular NH(+) ⋅⋅⋅π hydrogen bonds (H-bonds) between the protonated amino group and the aromatic ring. H→F substitution reduces the symmetry and allows for additional NH(+) ⋅⋅⋅F interactions in oF-H(+) PEA, leading to three distinct gauche conformers. In comparison to oF-H(+) PEA, the fluorination effects on the energy landscape (energy ordering and isomerization barriers) in pF-H(+) PEA and mF-H(+) PEA with one and two gauche conformers are less pronounced. The strengths of the intramolecular NH(+) ⋅⋅⋅F and NH(+) ⋅⋅⋅π bonds are analyzed by the noncovalent interaction (NCI) method. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Planetary rings as relics of plasma proto-rings rotating in the magnetic field of a central body

    NASA Astrophysics Data System (ADS)

    Rabinovich, B.

    2007-08-01

    numbers appearing in the solution of the Schr¨odingerequation for a hydrogen atom. Perturbations of the elite orbits corresponding to this numbers satisfy the de Brogli quantum-mechanical condition. The solution of the model boundary-value problem has been applied to planetary rings origin and evolution. The main result is a mechanism of stratification of the evolutionally mature plasma proto-ring into a large number of narrow elite rings separated by anti-rings (gaps), which were playing a role of for present-day planetary rings. Another result is the theoretical substantiation of the presence in the nearplanetary space of a region of existence and stability of plasma rings. The data, which had been obtained in the course of the Voyager, Galileo, and Cassini missions were used for verification of theoretical results concerning the planetary rings and Io plasma thorus. The theoretical dates turned out to be in accordance with experimental dates. References Alfven H. Cosmic Plasma. Dordrecht: Reidel, 1961. Rabinovich B.I. Dynamics of Plasma Ring Rotating in the Magnetic Field of Central Body: Magneto-GravitationalWaves // Cosmic Research, 2006. V. 44. No. 1. P. 43-51. Rabinovich B.I. Dynamics of Plasma Ring Rotating in the Magnetic Field of Central Body: Magneto-Gyroscopic Waves. Problems of Stability and Quantization // Cosmic Research, 2006. V. 44. No. 2. P. 146 - 161. Gore, Rick. Voyager 1 at Saturn. Riddles of the Rings // National Geographic, 1981. V. 160. No. 1. P. 3 - 31. Porco, Carolyn. Captain 's Log.: 2004, 184 // The Planetary Report, 2004. V. 24, No. 5. P. 2 - 18.

  9. Jupiter's Main Ring/Ring Halo

    NASA Technical Reports Server (NTRS)

    1997-01-01

    A mosaic of four images taken through the clear filter (610 nanometers) of the solid state imaging (CCD) system aboard NASA's Galileo spacecraft on November 8, 1996, at a resolution of approximately 46 kilometers (28.5 miles) per picture element (pixel) along Jupiter's rings. Because the spacecraft was only about 0.5 degrees above the ring plane, the image is highly foreshortened in the vertical direction. The images were obtained when Galileo was in Jupiter's shadow, peering back toward the Sun; the ring was approximately 2.3 million kilometers (1.4 million miles) away. The arc on the far right of the image is produced when sunlight is scattered by small particles comprising Jupiter's upper atmospheric haze. The ring also efficiently scatters light, indicating that much of its brightness is due to particles that are microns or less in diameter. Such small particles are believed to have human-scale lifetimes, i.e., very brief compared to the solar system's age.

    Jupiter's ring system is composed of three parts - - a flat main ring, a lenticular halo interior to the main ring, and the gossamer ring, outside the main ring. The near and far arms of Jupiter's main ring extend horizontally across the mosaic, joining together at the ring's ansa, on the figure's far left side. The near arm of the ring appears to be abruptly truncated close to the planet, at the point where it passes into Jupiter's shadow. Some radial structure is barely visible across the ring's ansa (top image). A faint mist of particles can be seen above and below the main rings. This vertically extended 'halo' is unusual in planetary rings, and is probably caused by electromagnetic forces pushing the smallest grains out of the ring plane. Because of shadowing, the halo is not visible close to Jupiter in the lower right part of the mosaic. To accentuate faint features in the bottom image of the ring halo, different brightnesses are shown through color. Brightest features are white or yellow and the

  10. Reinterpreting the Sharp Edges of Planetary Rings

    NASA Astrophysics Data System (ADS)

    Rimlinger, Thomas; Hamilton, Douglas P.; Hahn, Joseph M.

    2016-10-01

    Narrow ringlets are found throughout the Solar System and are typically 1-100 km wide. Angular momentum, L, is the key to understanding how narrow rings remain confined; L2 ∝ a(1 - e2) for semimajor axis a and eccentricity e. In a circular ring, L conservation demands that the ring quickly spread apart when some colliding particles lose energy while others gain it. By contrast, in an eccentric ring, energy loss and the associated decay of the average semi-major axes can be offset by a decrease in the average eccentricity. We argue that a ring's lifetime can be greatly extended if particles arrange themselves in this way (Borderies et al. 1984). The key difference of our model, however, is that rings need not be shepherded and can confine themselves provided they are sufficiently eccentric. Satellites merely extend the rings' lifespans by pumping up their eccentricities.This confinement mechanism can explain the existence and longevity of narrow ringlets in a variety of contexts. Saturn's Titan ringlet, which is quite circular, may nevertheless be able to confine itself indefinitely if its eccentricity decay is balanced by the increase from the resonance with Titan. Preliminary simulations presented by Rimlinger et al. at this year's DDA Conference have verified that this ring can self-confine even in the absence of any satellite; we update these findings with new results that include the effects of Titan. Furthermore, Mimas' resonance with the edge of the B ring may excite its higher order modes to similar effect. We update the findings of Hahn and Spitale (2013), who used artificial forces to confine the B ring's edge, and suggest that with a suitable viscosity and density, no such forces will be needed to keep the edge sharp. Finally, a ring that is "born" with a sufficiently high eccentricity may live for hundreds of millions or even billions of years in isolation if the rate of decay is slow enough. We present simulations exploring such a scenario.

  11. An overview of the neuron ring model

    NASA Technical Reports Server (NTRS)

    Taber, Rod

    1991-01-01

    The Neuron Ring model employs an avalanche structure with two important distinctions at the neuron level. Each neuron has two memory latches; one traps maximum neuronal activation during pattern presentation, and the other records the time of latch content change. The latches filter short term memory. In the process, they preserve length 1 snapshots of activation theory history. The model finds utility in pattern classification. Its synaptic weights are first conditioned with sample spectra. The model then receives a test or unknown signal. The objective is to identify the sample closest to the test signal. Class decision follows complete presentation of the test data. The decision maker relies exclusively on the latch contents. Presented here is an overview of the Neuron Ring at the seminar level.

  12. Eleventh interim status report: Model 9975 O-Ring fixture long-term leak performance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Daugherty, W.

    2016-08-01

    A series of experiments to monitor the aging performance of Viton® GLT O-rings used in the Model 9975 package has been ongoing since 2004 at the Savannah River National Laboratory. One approach has been to periodically evaluate the leak performance of O-rings being aged in mock-up 9975 Primary Containment Vessels (PCVs) at elevated temperature. Other methods such as compression-stress relaxation (CSR) tests and field surveillance are also on-going to evaluate O-ring behavior. Seventy tests using PCV mock-ups were assembled and heated to temperatures ranging from 200 to 450 ºF. They were leak-tested initially and have been tested periodically to determinemore » if they continue to meet the leak-tightness criterion defined in ANSI standard N14.5-97. Due to material substitution, fourteen additional tests were initiated in 2008 with GLT-S O-rings heated to temperatures ranging from 200 to 400 ºF.« less

  13. Tenth interim status report: Model 9975 O-ring fixture long-term leak performance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Daugherty, W. L.

    2015-08-26

    A series of experiments to monitor the aging performance of Viton ® GLT O-rings used in the Model 9975 package has been ongoing since 2004 at the Savannah River National Laboratory. One approach has been to periodically evaluate the leak performance of O-rings being aged in mock-up 9975 Primary Containment Vessels (PCVs) at elevated temperatures. Other methods such as compression-stress relaxation (CSR) tests and field surveillance are also on-going to evaluate O-ring behavior. Seventy tests using PCV mock-ups were assembled and heated to temperatures ranging from 200 to 450 °F. They were leak-tested initially and have been tested periodically tomore » determine if they continue to meet the leak-tightness criterion defined in ANSI standard N14.5-97. Due to material substitution, fourteen additional tests were initiated in 2008 with GLT-S O-rings heated to temperatures ranging from 200 to 400 °F.« less

  14. GPU-based low-level trigger system for the standalone reconstruction of the ring-shaped hit patterns in the RICH Cherenkov detector of NA62 experiment

    NASA Astrophysics Data System (ADS)

    Ammendola, R.; Biagioni, A.; Chiozzi, S.; Cretaro, P.; Cotta Ramusino, A.; Di Lorenzo, S.; Fantechi, R.; Fiorini, M.; Frezza, O.; Gianoli, A.; Lamanna, G.; Lo Cicero, F.; Lonardo, A.; Martinelli, M.; Neri, I.; Paolucci, P. S.; Pastorelli, E.; Piandani, R.; Piccini, M.; Pontisso, L.; Rossetti, D.; Simula, F.; Sozzi, M.; Vicini, P.

    2017-03-01

    This project aims to exploit the parallel computing power of a commercial Graphics Processing Unit (GPU) to implement fast pattern matching in the Ring Imaging Cherenkov (RICH) detector for the level 0 (L0) trigger of the NA62 experiment. In this approach, the ring-fitting algorithm is seedless, being fed with raw RICH data, with no previous information on the ring position from other detectors. Moreover, since the L0 trigger is provided with a more elaborated information than a simple multiplicity number, it results in a higher selection power. Two methods have been studied in order to reduce the data transfer latency from the readout boards of the detector to the GPU, i.e., the use of a dedicated NIC device driver with very low latency and a direct data transfer protocol from a custom FPGA-based NIC to the GPU. The performance of the system, developed through the FPGA approach, for multi-ring Cherenkov online reconstruction obtained during the NA62 physics runs is presented.

  15. Minimum stiffness criteria for ring frame stiffeners of space launch vehicles

    NASA Astrophysics Data System (ADS)

    Friedrich, Linus; Schröder, Kai-Uwe

    2016-12-01

    Frame stringer-stiffened shell structures show high load carrying capacity in conjunction with low structural mass and are for this reason frequently used as primary structures of aerospace applications. Due to the great number of design variables, deriving suitable stiffening configurations is a demanding task and needs to be realized using efficient analysis methods. The structural design of ring frame stringer-stiffened shells can be subdivided into two steps. One, the design of a shell section between two ring frames. Two, the structural design of the ring frames such that a general instability mode is avoided. For sizing stringer-stiffened shell sections, several methods were recently developed, but existing ring frame sizing methods are mainly based on empirical relations or on smeared models. These methods do not mandatorily lead to reliable designs and in some cases the lightweight design potential of stiffened shell structures can thus not be exploited. In this paper, the explicit physical behaviour of ring frame stiffeners of space launch vehicles at the onset of panel instability is described using mechanical substitute models. Ring frame stiffeners of a stiffened shell structure are sized applying existing methods and the method suggested in this paper. To verify the suggested method and to demonstrate its potential, geometrically non-linear finite element analyses are performed using detailed finite element models.

  16. Naphtho[1,2-b:5,6-b']dithiophene-Based Conjugated Polymers for Fullerene-Free Inverted Polymer Solar Cells.

    PubMed

    Jiang, Zhaoyan; Li, Huan; Wang, Zhen; Zhang, Jianqi; Zhang, Yajie; Lu, Kun; Wei, Zhixiang

    2018-03-23

    Three novel copolymers based on zigzag naphthodithiophene (zNDT) with different aromatic rings as π bridges and different core side substitutions are designed and synthesized (PzNDT-T-1,3-bis(4-(2-ethylhexyl)-thiophen-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']-dithiophene-4,8-dione (BDD), PzNDT-TT-BDD, and PzNDTP-T-BDD, respectively). The 2D conjugation structure and molecular planarity of the polymers can be effectively altered through the modification of conjugated side chains and π-bridges. These alterations contribute to the variation in energy levels, light absorption capacity, and morphology compatibility of the polymers. When blended with the nonfullerene acceptor (2,2'-[(4,4,9,9-tetrahexyl-4,9-dihydro-sindaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)

  17. The domination of Saturn's low-latitude ionosphere by ring 'rain'.

    PubMed

    O'Donoghue, J; Stallard, T S; Melin, H; Jones, G H; Cowley, S W H; Miller, S; Baines, K H; Blake, J S D

    2013-04-11

    Saturn's ionosphere is produced when the otherwise neutral atmosphere is exposed to a flow of energetic charged particles or solar radiation. At low latitudes the solar radiation should result in a weak planet-wide glow in the infrared, corresponding to the planet's uniform illumination by the Sun. The observed electron density of the low-latitude ionosphere, however, is lower and its temperature higher than predicted by models. A planet-to-ring magnetic connection has been previously suggested, in which an influx of water from the rings could explain the lower-than-expected electron densities in Saturn's atmosphere. Here we report the detection of a pattern of features, extending across a broad latitude band from 25 to 60 degrees, that is superposed on the lower-latitude background glow, with peaks in emission that map along the planet's magnetic field lines to gaps in Saturn's rings. This pattern implies the transfer of charged species derived from water from the ring-plane to the ionosphere, an influx on a global scale, flooding between 30 to 43 per cent of the surface of Saturn's upper atmosphere. This ring 'rain' is important in modulating ionospheric emissions and suppressing electron densities.

  18. PLASMID-ENCODED PHTHALATE CATABOLIC PATHWAY IN ARTHROBACTER KEYSERI 12B: BIOTRANSFORMATIONS OF 2-SUBSTITUTED BENZOATES AND THEIR USE IN CLONING AND CHARACTERIZATION OF PHTHALATE CATABOLISM GENES AND GENE PRODUCTS

    EPA Science Inventory

    Several 2-substituted benzoates (including 2-trifluoromethyl-, 2-chloro-, 2-bromo-, 2-iodo-, 2-nitro-, 2-methoxy-, and 2-acetyl-benzoates) were converted by phthalate-grown Arthrobacter keyseri 12B to the corresponding 2-substituted 3,4-dihydroxybenzoates (protocatechuates)...

  19. Planetary Rings

    NASA Astrophysics Data System (ADS)

    Esposito, Larry

    2014-03-01

    Preface: a personal view of planetary rings; 1. Introduction: the allure of the ringed planets; 2. Studies of planetary rings 1610-2013; 3. Diversity of planetary rings; 4. Individual ring particles and their collisions; 5. Large-scale ring evolution; 6. Moons confine and sculpt rings; 7. Explaining ring phenomena; 8. N-body simulations; 9. Stochastic models; 10. Age and evolution of rings; 11. Saturn's mysterious F ring; 12. Uranus' rings and moons; 13. Neptune's partial rings; 14. Jupiter's ring-moon system after Galileo and New Horizons; 15. Ring photometry; 16. Dusty rings; 17. Concluding remarks; Afterword; Glossary; References; Index.

  20. User's guide to computer program CIVM-JET 4B to calculate the transient structural responses of partial and/or complete structural rings to engine-rotor-fragment impact

    NASA Technical Reports Server (NTRS)

    Stagliano, T. R.; Spilker, R. L.; Witmer, E. A.

    1976-01-01

    A user-oriented computer program CIVM-JET 4B is described to predict the large-deflection elastic-plastic structural responses of fragment impacted single-layer: (a) partial-ring fragment containment or deflector structure or (b) complete-ring fragment containment structure. These two types of structures may be either free or supported in various ways. Supports accommodated include: (1) point supports such as pinned-fixed, ideally-clamped, or supported by a structural branch simulating mounting-bracket structure and (2) elastic foundation support distributed over selected regions of the structure. The initial geometry of each partial or complete ring may be circular or arbitrarily curved; uniform or variable thicknesses of the structure are accommodated. The structural material is assumed to be initially isotropic; strain hardening and strain rate effects are taken into account.

  1. Cassini Thermal Observations of Saturn's Main Rings: Implications for Particle Rotation and Vertical Mixing

    NASA Technical Reports Server (NTRS)

    Spilkera, Linda J.; Pilorz, Stuart H.; Wallis, Brad D.; Pearl, John C.; Cuzzi, Jeffrey N.; Brooks, Shawn M.; Altobelli, Nicolas; Edgington, Scott G.; Showalter, Mark; Flasar, F. Michael; hide

    2006-01-01

    In late 2004 and 2005 the Cassini composite infrared spectrometer (CIRS) obtained spatially resolved thermal infrared radial scans of Saturn's main rings (A, B and C, and Cassini Division) that show ring temperatures decreasing with increasing solar phase angle, (alpha), on both the lit and unlit faces of the ring plane. These temperature differences suggest that Saturn's main rings include a population of ring particles that spin slowly, with a spin period greater than 3.6 h, given their low thermal inertia. The A ring shows the smallest temperature variation with (alpha), and this variation decreases with distance from the planet. This suggests an increasing number of smaller, and/or more rapidly rotating ring particles with more uniform temperatures, resulting perhaps from stirring by the density waves in the outer A ring and/or self-gravity wakes. The temperatures of the A and B rings are correlated with their optical depth, (tau), when viewed from the lit face, and anti-correlated when viewed from the unlit face. On the unlit face of the B ring, not only do the lowest temperatures correlate with the largest (tau), these temperatures are also the same at both low and high a, suggesting that little sunlight is penetrating these regions. The temperature differential from the lit to the unlit side of the rings is a strong, nearly linear, function of optical depth. This is consistent with the expectation that little sunlight penetrates to the dark side of the densest rings, but also suggests that little vertical mixing of ring particles is taking place in the A and B rings.

  2. The Search for Ringed Exoplanets

    NASA Astrophysics Data System (ADS)

    Kohler, Susanna

    2017-04-01

    Are planetary rings as common in our galaxy as they are in our solar system? A new study demonstrates how we might search for ringed exoplanets and then possibly finds one!Saturns Elsewhere?Artists illustration of the super ring system around exoplanet J1407b. This is the only exoplanet weve found with rings, but its not at all like Saturn. [Ron Miller]Our solar system is filled with moons and planetary rings, so it stands to reason that exoplanetary systems should exhibit the same features. But though weve been in the planet-hunting game for decades, weve only found one exoplanet thats surrounded by a ring system. Whats more, that system J1407b has enormous rings that are vastly different from the modest, Saturn-like rings that we might expect to be more commonplace.Have we not discovered ringed exoplanets just because theyre hard to identify? Or is it because theyre not out there? A team of scientists led by Masataka Aizawa (University of Tokyo) has set out to answer this question by conducting a systematic search for rings around long-period planet candidates.The transit light curve of KIC 10403228, shown with three models: the best-fitting planet-only model (blue) and the two best-fitting planet+ring models (green and red). [Aizawa et al. 2017]The Hunt BeginsWhy long-period planets? Rings are expected to be unstable as the planet gets closer to the central star. Whats more, the planet needs to be far enough away from the stars warmth for the icy rings to exist. The authors therefore select from the collection of candidate transiting planets 89 long-period candidates that might be able to host rings.Aizawa and collaborators then fit single-planet models (with no rings) to the light curves of these planets and search for anomalies curves that arent fit well by these standard models. Particularly suspicious characteristics include a long ingress/egress as the planet moves across the face of the star, and asymmetry of the transit shape.After applying a series of

  3. User's guide to computer programs JET 5A and CIVM-JET 5B to calculate the large elastic-plastic dynamically-induced deformations of multilayer partial and/or complete structural rings

    NASA Technical Reports Server (NTRS)

    Wu, R. W. H.; Stagliano, T. R.; Witmer, E. A.; Spilker, R. L.

    1978-01-01

    These structural ring deflections lie essentially in one plane and, hence, are called two-dimensional (2-d). The structural rings may be complete or partial; the former may be regarded as representing a fragment containment ring while the latter may be viewed as a 2-d fragment-deflector structure. These two types of rings may be either free or supported in various ways (pinned-fixed, locally clamped, elastic-foundation supported, mounting-bracket supported, etc.). The initial geometry of each ring may be circular or arbitrarily curved; uniform-thickness or variable-thickness rings may be analyzed. Strain-hardening and strain-rate effects of initially-isotropic material are taken into account. An approximate analysis utilizing kinetic energy and momentum conservation relations is used to predict the after-impact velocities of each fragment and of the impact-affected region of the ring; this procedure is termed the collision-imparted velocity method (CIVM) and is used in the CIVM-JET 5 B program. This imparted-velocity information is used in conjunction with a finite-element structural response computation code to predict the transient, large-deflection, elastic-plastic responses of the ring. Similarly, the equations of motion of each fragment are solved in small steps in time. Provisions are made in the CIVM-JET 5B code to analyze structural ring response to impact attack by from 1 to 3 fragments, each with its own size, mass, translational velocity components, and rotational velocity. The effects of friction between each fragment and the impacted ring are included.

  4. Employing NMR Spectroscopy To Evaluate Transmission of Electronic Effects in 4-Substituted Chalcones

    NASA Astrophysics Data System (ADS)

    Wachter-Jurcsak, Nanette; Zamani, Hossein

    1999-05-01

    Described is an organic synthesis experiment that demonstrates the electronic transmission by substituents. The effect of substitution at the para-position of the styryl ring of 1,3-diphenyl-2-propenones (chalcones) by typical electron-donating or -accepting groups can be observed by proton and carbon-13 NMR spectroscopy. A linear correlation is observed when the differences in chemical shift measurements for H are plotted against the corresponding Hammett substituent constant values. Good correlation between carbon-13 chemical shifts of the alpha carbon are also observed. The syntheses of the 4-substituted chalcones is presented as well as a brief discussion of the theory.

  5. Planetary Rings

    NASA Astrophysics Data System (ADS)

    Esposito, Larry W.

    2011-07-01

    Preface; 1. Introduction: the allure of ringed planets; 2. Studies of planetary rings 1610-2004; 3. Diversity of planetary rings; 4. Individual ring particles and their collisions; 5. Large-scale ring evolution; 6. Moons confine and sculpt rings; 7. Explaining ring phenomena; 8. N-Body simulations; 9. Stochastic models; 10. Age and evolution of rings; 11. Saturn's mysterious F ring; 12. Neptune's partial rings; 13. Jupiter's ring-moon system after Galileo; 14. Ring photometry; 15. Dusty rings; 16. Cassini observations; 17. Summary: the big questions; Glossary; References; Index.

  6. 26 CFR 1.1016-10 - Substituted basis.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 11 2011-04-01 2011-04-01 false Substituted basis. 1.1016-10 Section 1.1016-10...) INCOME TAXES (CONTINUED) Basis Rules of General Application § 1.1016-10 Substituted basis. (a) Whenever... in section 1016(b), the adjustments indicated in §§ 1.1016-1 to 1.1016-6, inclusive, shall be made...

  7. 26 CFR 1.1016-10 - Substituted basis.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 11 2010-04-01 2010-04-01 true Substituted basis. 1.1016-10 Section 1.1016-10...) INCOME TAXES Basis Rules of General Application § 1.1016-10 Substituted basis. (a) Whenever it appears... 1016(b), the adjustments indicated in §§ 1.1016-1 to 1.1016-6, inclusive, shall be made after first...

  8. The Case for Massive and Ancient Rings of Saturn

    NASA Astrophysics Data System (ADS)

    Esposito, Larry W.

    2016-04-01

    Analysis of Voyager and Pioneer 11 results give a mass for Saturn's rings, M = 5 x 10-8 Msat. This is about the mass of Saturn's small moon Mimas. This has been interpreted as a lower limit to the ring mass (Esposito et al 1983), since the thickest parts of the rings were not penetrated by the stellar occultstion, and this calculation assumes an unvarying particle size throughout the rings. Because the rings are constantly bombarded by micrometeroids, their current composition of nearly pure water ice implies such low mass rings must have formed recently. The case is par-ticularly strong for Saturn's A ring, where the data are the best, implying the A ring is less than 10% of the age of the Saturn (Esposito 1986). Cassini results com-pound this problem. UVIS spectra are consistent with either young rings or rings about 10x as massive as the Voyager estimate (Elliott and Esposito (2011). CDA confirms the impacting mass flux is similar to that as-sumed for the pollution calculations (Kempf etal 2015). VIMS analysis of density wave signatures in the B ring gives a value of about 1/3 the Voyager value (Hedmann etal 2016). This VIMS result implies the rings are even younger! The problem is that young rings are very unlikely to be formed recently, meaning that we live in a very special epoch, following some unlikely recent origin… like disruption of a medium sized moon or capture of the fragments of a disrupted comet. This paradox (Charnoz etal 2009) is unre-solved. Alternative interpretations: To take the VIMS results at face value, Saturn's low mass rings must be very young. The optically thick B ring must be made of small, porous or fractal particles. This is hard to understand, since the particles are continually colliding every few hours and temporary aggregates will stir the collision velocities to higher values. An alternative is that we accept the higher mass interpretation of the Pioneer 11 results (Esposito etal 2008) using the granola bar model of Colwell

  9. Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors.

    PubMed

    Sivakumar, V; Ponnamma, Deepalekshmi; Hussein, Yasser H A

    2017-02-15

    Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQ T ) but not the triplets AQ T or AQS T . However in aqueous medium, AN quenches AQS T and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQ T or AQS T while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Descriptive parameters for revealing substitution patterns of sugar beet pectins using pectolytic enzymes.

    PubMed

    Remoroza, C; Buchholt, H C; Gruppen, H; Schols, H A

    2014-01-30

    Enzymatic fingerprinting was applied to sugar beet pectins (SBPs) modified by either plant or fungal pectin methyl esterases and alkali catalyzed de-esterification to reveal the ester distributions over the pectin backbone. A simultaneous pectin lyase (PL) treatment to the commonly used endo-polygalacturonase (endo-PG) degradation showed to be effective in degrading both high and low methylesterified and/or acetylated homogalaturonan regions of SBP simultaneously. Using LC-HILIC-MS/ELSD, we studied in detail all the diagnostic oligomers present, enabling us to discriminate between differently prepared sugar beet pectins having various levels of methylesterification and acetylation. Furthermore, distinction between commercially extracted and de-esterified sugar beet pectin having different patterns of substitution was achieved by using novel descriptive pectin parameters. In addition to DBabs approach for nonmethylesterified sequences degradable by endo-PG, the "degree of hydrolysis" (DHPG) representing all partially saturated methylesterified and/or acetylated galacturonic acid (GalA) moieties was introduced as a new parameter. Consequently, the description DHPL has been introduced to quantify all esterified unsaturated GalA oligomers. Copyright © 2013 Elsevier Ltd. All rights reserved.

  11. Electrostatically confined quantum rings in bilayer graphene.

    PubMed

    Zarenia, M; Pereira, J M; Peeters, F M; Farias, G A

    2009-12-01

    We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B(0)) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B(0) --> -B(0) transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.

  12. The E3 ligase HOIP specifies linear ubiquitin chain assembly through its RING-IBR-RING domain and the unique LDD extension

    PubMed Central

    Smit, Judith J; Monteferrario, Davide; Noordermeer, Sylvie M; van Dijk, Willem J; van der Reijden, Bert A; Sixma, Titia K

    2012-01-01

    Activation of the NF-κB pathway requires the formation of Met1-linked ‘linear' ubiquitin chains on NEMO, which is catalysed by the Linear Ubiquitin Chain Assembly Complex (LUBAC) E3 consisting of HOIP, HOIL-1L and Sharpin. Here, we show that both LUBAC catalytic activity and LUBAC specificity for linear ubiquitin chain formation are embedded within the RING-IBR-RING (RBR) ubiquitin ligase subunit HOIP. Linear ubiquitin chain formation by HOIP proceeds via a two-step mechanism involving both RING and HECT E3-type activities. RING1-IBR catalyses the transfer of ubiquitin from the E2 onto RING2, to transiently form a HECT-like covalent thioester intermediate. Next, the ubiquitin is transferred from HOIP onto the N-terminus of a target ubiquitin. This transfer is facilitated by a unique region in the C-terminus of HOIP that we termed ‘Linear ubiquitin chain Determining Domain' (LDD), which may coordinate the acceptor ubiquitin. Consistent with this mechanism, the RING2-LDD region was found to be important for NF-κB activation in cellular assays. These data show how HOIP combines a general RBR ubiquitin ligase mechanism with unique, LDD-dependent specificity for producing linear ubiquitin chains. PMID:22863777

  13. Bile Salt-like Dienones Having a Novel Skeleton or a Rare Substitution Pattern Function as Chemical Cues in Adult Sea Lamprey.

    PubMed

    Li, Ke; Scott, Anne M; Brant, Cory O; Fissette, Skye D; Riedy, Joseph J; Hoye, Thomas R; Li, Weiming

    2017-09-01

    Two novel sulfated bile salt-like dienones, featuring either a unique, rearranged side chain or a rare cis-11,12-diol on the steroidal C-ring, herein named petromyzene A (1) and B (2), respectively, were isolated from water conditioned with spawning male sea lamprey (Petromyzon marinus; a jawless vertebrate animal). The structures of these natural products were elucidated by mass spectrometry and NMR spectroscopy. Petromyzenes A and B exhibited high olfactory potency for adult sea lamprey and strong behavioral attraction for spawning females.

  14. Pooled versus separate tree-ring δD measurements, and implications for reconstruction of the Arctic Oscillation in northwestern China.

    PubMed

    Liu, Xiaohong; An, Wenling; Treydte, Kerstin; Wang, Wenzhi; Xu, Guobao; Zeng, Xiaomin; Wu, Guoju; Wang, Bo; Zhang, Xuanwen

    2015-04-01

    Stable hydrogen isotope ratios (δD) in tree rings are an attractive but still rarely explored terrestrial archive of past climatic information. Because the preparation of the cellulose nitrate for δD measurements requires more wood and a longer preparation time than preparation techniques for other isotopes in cellulose (δ18O or δ13C), it is challenging to obtain high-resolution records, especially for slow-growing trees at high elevations and in boreal regions. Here, we tested whether annually pooled samples of Qinghai spruce (Picea crassifolia Kom.) trees from northwestern China provided results similar to those derived as the mean of individual measurements of the same trees and whether the resulting chronologies recorded useful climate information. Inter-tree variability of δD was higher than that of measured ring width for the same trees. We found higher and significant coherence between pooled and mean isotope chronologies than that among the individual series. It showed a logarithmic relationship between ring mass and δD; however, accounting for the influence of ring mass on δD values only slightly improved the strength of climatic signals in the pooled records. Tree-ring δD was significantly positively correlated with the mean, maximum, and minimum temperatures during the previous winter and with maximum temperature during the current August, and significantly negatively correlated with precipitation in the previous November to January and the current July. The winter climate signal seems to dominate tree-ring δD through the influence of large-scale atmospheric circulation patterns, i.e. the Arctic Oscillation. These results will facilitate reconstruction of winter atmospheric circulation patterns over northwestern China based on a regional tree-ring δD networks. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.

    PubMed

    Kumar, K Shiva; Rambabu, D; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G Rama; Rao, M V Basaveswara; Reddy, C Malla; Vanaja, G R; Kalle, Arunasree M; Pal, Manojit

    2012-06-28

    Regioselective construction of a fused 2-ylidene chromene ring was achieved for the first time by using AlCl(3)-induced C-C bond formation followed by Pd/C-Cu mediate coupling-cyclization strategy. A number of chromeno[4,3-b]quinoxaline derivatives were prepared by using this strategy. Single crystal X-ray diffraction study of a representative compound e.g. 6-(2,2-dimethylpropylidene)-4-methyl-6H-chromeno[4,3-b]quinoxalin-3-ol confirmed the presence of an exocyclic C-C double bond with Z-geometry. The crystal structure analysis and hydrogen bonding patterns of the same compound along with its structure elaboration via propargylation followed by Sonogashira coupling of the resulting terminal alkyne is presented. A probable mechanism for the formation of 2-ylidene chromene ring is discussed. Some of the compounds synthesized showed anticancer properties when tested in vitro.

  16. Synthesis and Antifungal in Vitro Evaluation of Pyrazolo[3,4-b]pyridines Derivatives Obtained by Aza-Diels-Alder Reaction and Microwave Irradiation.

    PubMed

    Quiroga, Jairo; Villarreal, Yazmín; Gálvez, Jaime; Ortíz, Alejandro; Insuasty, Braulio; Abonia, Rodrigo; Raimondi, Marcela; Zacchino, Susana

    2017-02-01

    A series of pyrazolo[3,4-b]pyridines were prepared by a microwave-assisted aza-Diels-Alder reaction between pyrazolylformimidamides 1 and β-nitrostyrenes 2 in toluene as the solvent. This procedure provides a simple one-step and environmentally friendly methodology with good yields for the synthesis of these compounds. All compounds were tested for antifungal activity against two clinically important fungi Candida albicans and Cryptococcus neoformans. Within the compounds of the series bearing a -CH 3 group on the carbon C-3 of the azole ring (3a-e), the compound without a substituent on the p'-phenyl ring (3a), showed the best activity against both fungi, followed by the p'-Br-phenyl (3c). Within the compounds of the series bearing a tert-butyl group in the carbon C-3 of the azole ring (3f-j), the non-substituted p'-compound (3f) was the most active one, followed by (3h) (p'-Br substituted) that showed the best activity against both fungi. The remaining compounds of this sub-series (3g, i, j) showed similar moderate activities. The antifungal activity of the compounds of the series was found to be correlated with a higher log P and a lower dipole moment in the more active compounds.

  17. HYPERAUTOFLUORESCENT RING IN AUTOIMMUNE RETINOPATHY

    PubMed Central

    LIMA, LUIZ H.; GREENBERG, JONATHAN P.; GREENSTEIN, VIVIENNE C.; SMITH, R. THEODORE; SALLUM, JULIANA M. F.; THIRKILL, CHARLES; YANNUZZI, LAWRENCE A.; TSANG, STEPHEN H.

    2015-01-01

    Purpose To report the presence of a hyperautofluorescent ring and corresponding spectral-domain optical coherence tomography (SD-OCT) features seen in patients with autoimmune retinopathy. Methods All eyes were evaluated by funduscopic examination, full-fleld electroretinography, fundus autofluorescence, and SD-OCT. Further confirmation of the diagnosis was obtained with immunoblot and immunohistochemistry testing of the patient’s serum. Humphrey visual fields and microperimetry were also performed. Results Funduscopic examination showed atrophic retinal pigment epithelium (RPE) associated with retinal artery narrowing but without pigment deposits. The scotopic and photopic full-field electroretinograms were nondetectable in three patients and showed a cone–rod pattern of dysfunction in one patient. Fundus autofluorescence revealed a hyperautofluorescent ring in the parafoveal region, and the corresponding SD-OCT demonstrated loss of the photoreceptor inner segment–outer segment junction with thinning of the outer nuclear layer from the region of the hyperautofluorescent ring toward the retinal periphery. The retinal layers were generally intact within the hyperautofluorescent ring, although the inner segment–outer segment junction was disrupted, and the outer nuclear layer and photoreceptor outer segment layer were thinned. Conclusion This case series revealed the structure of the hyperautofluorescent ring in autoimmune retinopathy using SD-OCT. Fundus autofluorescence and SD-OCT may aid in the diagnosis of autoimmune retinopathy and may serve as a tool to monitor its progression. PMID:22218149

  18. 40 CFR 72.41 - Phase I substitution plans.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... (CONTINUED) PERMITS REGULATION Acid Rain Compliance Plan and Compliance Options § 72.41 Phase I substitution... section 410 of the Act. (b)(1) The designated representative may include, in the Acid Rain permit... an Acid Rain permit containing the plan, except that if the substitution plan is conditionally...

  19. 40 CFR 72.41 - Phase I substitution plans.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... (CONTINUED) PERMITS REGULATION Acid Rain Compliance Plan and Compliance Options § 72.41 Phase I substitution... section 410 of the Act. (b)(1) The designated representative may include, in the Acid Rain permit... an Acid Rain permit containing the plan, except that if the substitution plan is conditionally...

  20. 40 CFR 72.41 - Phase I substitution plans.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... (CONTINUED) PERMITS REGULATION Acid Rain Compliance Plan and Compliance Options § 72.41 Phase I substitution... section 410 of the Act. (b)(1) The designated representative may include, in the Acid Rain permit... an Acid Rain permit containing the plan, except that if the substitution plan is conditionally...

  1. 40 CFR 72.41 - Phase I substitution plans.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... (CONTINUED) PERMITS REGULATION Acid Rain Compliance Plan and Compliance Options § 72.41 Phase I substitution... section 410 of the Act. (b)(1) The designated representative may include, in the Acid Rain permit... an Acid Rain permit containing the plan, except that if the substitution plan is conditionally...

  2. 40 CFR 72.41 - Phase I substitution plans.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) PERMITS REGULATION Acid Rain Compliance Plan and Compliance Options § 72.41 Phase I substitution... section 410 of the Act. (b)(1) The designated representative may include, in the Acid Rain permit... an Acid Rain permit containing the plan, except that if the substitution plan is conditionally...

  3. Dynamics of rings around elongated bodies

    NASA Astrophysics Data System (ADS)

    Sicardy, Bruno; Leiva, Rodrigo; Ortiz, Jose Luis; Santos Sanz, Pablo; Renner, Stefan; El Moutamid, Maryame; Berard, Diane; Desmars, Josselin; Meza, Erick; Rossi, Gustavo; Braga-Ribas, Felipe; Camargo, Julio; Vieira-Martins, Roberto; Morales, Nicolas; Duffard, Rene; Colas, Francois; Maquet, Lucie; Bouley, Sylvain; Bath, Karl-Ludwig; Beisker, Wolfgang; Dauverge, Jean-Luc; Kretlow, Mike; Chariklo Occultations Team; Haumea Occultation Team

    2017-10-01

    Dense and narrow rings are encountered around small bodies like the Centaur object Chariklo, and possibly Chiron. The rings and central bodies can be studied in great details thanks to stellar occultations, which accuracies at the km-level. Here we present new results from three high-quality occultations by Chariklo observed in 2017. They provide new insights on the ring geometry and Chariklo's shape. Data are currently being analyzed, but preliminary results are consistent with a triaxial model for Chariklo, with semi-axes a>b>c, where (a-b) may reach values as large as 10-15 km, depending on the model.Such large values induce a strong coupling between the body and an initial collisional debris disk from which the rings emerged. This coupling stems from Lindblad resonances between the ring particle mean motion and Chariklo's spin rate. We find that the resonances clear the corotation zone (estimated to lie at about 215 km from Chariklo's center) in very short time scales (centuries) and pushes the material well beyond the 3/2 resonance - that lies at an estimated radius of 280 km, thus consistent with the radius of Chariklo's main ring C1R, 390 km.Other cases will be examined in view of multi-chord stellar occultations by Trans-Neptunian Objects successfully observed in 2017, as they provide constraints for the presence of material around these bodies. Results and dynamical implications will be presented.Part of this work has received funding from the European Research Council under the European Community's H2020 2014-2020 ERC grant Agreement n°669416 "Lucky Star"

  4. A non-toxic enzyme-linked immunosorbent assay for aflatoxin B1 using anti-idiotypic antibodies as substitutes.

    PubMed

    Hu, Li; Liu, Aiping; Chen, Weifeng; Yang, Hongxiu; Wang, Xiaohong; Chen, Fusheng

    2017-03-01

    Immunoassays are widely employed techniques to detect aflatoxins since they are rapid, selective and sensitive. One common disadvantage of them is using aflatoxins as standard substances, which may trigger exposure risks to operators and environmental contamination without proper handling. Anti-idiotypic antibodies (anti-Ids or Ab2s), also named as internal-image anti-Ids, are able to mimic and function as antigens, so a non-toxic enzyme-linked immunosorbent assay (ELISA) for aflatoxin B 1 (AFB 1 ) is developed and validated using anti-Ids as substitutes. Mouse monoclonal anti-idiotypic antibody (McAb2) to AFB 1 was generated by the hybridoma technique using Fab fragments of rabbit anti-AFB 1 idiotype antibody (Ab1) as immunogen. As indicated by indirect competitive ELISA, McAb2, represented an internal-image of antigen AFB 1 , was able to bind Fab with competition to AFB 1 . Then, analysis of AFB 1 in spiked samples by non-toxic ELISA using anti-Ids as substitutes was developed, and it showed no significant differences with comparison to AFB 1 as competitive antigens. Our work demonstrated that anti-Ids could be used as internal-image mimicry of AFB 1 , and it had potential applications in immunoassays for antigen substitution to reduce operational risk for operators and environmental contamination. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  5. Earth: A Ringed Planet?

    NASA Astrophysics Data System (ADS)

    Hancock, L. O.; Povenmire, H.

    2010-12-01

    Among the most beautiful findings of the Space Age have been the discoveries of planetary rings. Not only Saturn but also Jupiter, Uranus and Neptune have rings; Saturn’s ring system has structures newly discovered; even Saturn's moon Rhea itself has a ring. All these are apparently supplied by material from the planetary moons (Rhea's ring by Rhea itself). The question naturally arises, why should the Earth not have a ring, and on the other hand, if it does, why has it not been observed? No rings have yet been observed in the inner solar system, but after all, rings in the inner solar system might simply tend to be fainter and more transient than those of the outer solar system: the inner solar system is more affected by the solar wind, and the Sun’s perturbing gravitational influence is greater. J.A. O’Keefe first suggested (1980) that Earth might have a ring system of its own. An Earth ring could account for some climate events. O’Keefe remarked that formation or thickening of a ring system in Earth’s equatorial plane could drive glaciation by deepening the chill of the winter hemisphere. (It is very well established that volcanic dust is an effective agent for the extinction of sunlight; this factor can be overwhelmingly apparent in eclipse observations.) O’Keefe died in 2000 and the speculation was not pursued, but the idea of an Earth ring has a prima facie reasonableness that calls for its renewed consideration. The program of this note is to hypothesize that, as O’Keefe proposed: (a) an Earth ring system exists; (b) it affects Earth's weather and climate; (c) the tektite strewn fields comprise filaments of the ring fallen to Earth's surface on various occasions of disturbance by comets or asteroids. On this basis, and drawing on the world's weather records, together with the Twentieth Century Reanalysis by NCEP/CIRES covering the period 1870-2010 and the geology of the tektite strewn fields, we herein propose the hypothesized Earth ring

  6. Can cannabis be considered a substitute medication for alcohol?

    PubMed

    Subbaraman, Meenakshi Sabina

    2014-01-01

    Substituting cannabis for alcohol may reduce drinking and related problems among alcohol-dependent individuals. Some even recommend prescribing medical cannabis to individuals attempting to reduce drinking. The primary aim of this review is to assess whether cannabis satisfies the seven previously published criteria for substitute medications for alcohol [e.g. 'reduces alcohol-related harms'; 'is safer in overdose than alcohol'; 'should offer significant health economic benefits'; see Chick and Nutt ((2012) Substitution therapy for alcoholism: time for a reappraisal? J Psychopharmacol 26:205-12)]. Literature review. All criteria appear either satisfied or partially satisfied, though studies relying on medical cannabis patients may be limited by selection bias and/or retrospective designs. Individual-level factors, such as severity of alcohol problems, may also moderate substitution. There is no clear pattern of outcomes related to cannabis substitution. Most importantly, the recommendation to prescribe alcohol-dependent individuals cannabis to help reduce drinking is premature. Future studies should use longitudinal data to better understand the consequences of cannabis substitution.

  7. New patterns in dust off the edge of Saturn’s main rings

    NASA Astrophysics Data System (ADS)

    Chancia, Robert Ormal; Hedman, Matthew M.; Ye, Shengyi; Kurth, William S.

    2017-10-01

    The Roche Division is a 3000-km-span of diffuse dust located at the outer edge of Saturn’s main ring system between the A and F rings. Several high-resolution images from Cassini’s orbit insertion revealed two regions with higher concentrations of dust within the Roche Division. These proposed dusty ringlets R/2004 S1 (radius=137,630 km) and R/2004 S2 (radius=138,900 km) lie coincident with the orbit of Atlas and slightly interior to the orbit of Prometheus respectively (Porco et al. 2005a Science). Using several image sequences later obtained by Cassini Hedman et al. 2009 (Icarus) found that these concentrations of dusty ring material are not simple ringlets, but are in fact organized into canted azimuthal brightness variations with a periodicity akin to a 3:4 resonance with Saturn’s rotation rate. The presumed perturbing phenomenon is Saturn’s kilometric radiation (SKR), a strong low wavelength component of the planet’s radio emissions, whose power oscillates near the planet’s rotation rate at a frequency matching the Roche Division structures. However, over the course of the Cassini mission the SKR period has varied by at least 7 minutes. As a result, the location of the resonance moved interior to the edge of the A ring and out of the Roche Division around the time of Saturn’s equinox. Subsequent observations of the Roche Division in the this time period show no evidence of the prominent structures previously observed during the first few years of the Cassini mission. Recently, the 3:4 resonant structures have reappeared in the Roche Division as one of the SKR periods has increased. Here we show that the these dusty Roche Division structures are present in sync with the varying SKR period using images sequences spanning the entire Cassini mission. We also highlight some particularly optimal observations, obtained during Cassini’s F-ring proximal and grand finale orbits, which reveal the dusty structure of the Roche Division in unprecedented

  8. Patterns of medicinal cannabis use, strain analysis, and substitution effect among patients with migraine, headache, arthritis, and chronic pain in a medicinal cannabis cohort.

    PubMed

    Baron, Eric P; Lucas, Philippe; Eades, Joshua; Hogue, Olivia

    2018-05-24

    Medicinal cannabis registries typically report pain as the most common reason for use. It would be clinically useful to identify patterns of cannabis treatment in migraine and headache, as compared to arthritis and chronic pain, and to analyze preferred cannabis strains, biochemical profiles, and prescription medication substitutions with cannabis. Via electronic survey in medicinal cannabis patients with headache, arthritis, and chronic pain, demographics and patterns of cannabis use including methods, frequency, quantity, preferred strains, cannabinoid and terpene profiles, and prescription substitutions were recorded. Cannabis use for migraine among headache patients was assessed via the ID Migraine™ questionnaire, a validated screen used to predict the probability of migraine. Of 2032 patients, 21 illnesses were treated with cannabis. Pain syndromes accounted for 42.4% (n = 861) overall; chronic pain 29.4% (n = 598;), arthritis 9.3% (n = 188), and headache 3.7% (n = 75;). Across all 21 illnesses, headache was a symptom treated with cannabis in 24.9% (n = 505). These patients were given the ID Migraine™ questionnaire, with 68% (n = 343) giving 3 "Yes" responses, 20% (n = 102) giving 2 "Yes" responses (97% and 93% probability of migraine, respectively). Therefore, 88% (n = 445) of headache patients were treating probable migraine with cannabis. Hybrid strains were most preferred across all pain subtypes, with "OG Shark" the most preferred strain in the ID Migraine™ and headache groups. Many pain patients substituted prescription medications with cannabis (41.2-59.5%), most commonly opiates/opioids (40.5-72.8%). Prescription substitution in headache patients included opiates/opioids (43.4%), anti-depressant/anti-anxiety (39%), NSAIDs (21%), triptans (8.1%), anti-convulsants (7.7%), muscle relaxers (7%), ergots (0.4%). Chronic pain was the most common reason for cannabis use, consistent with most registries. The majority of headache

  9. Proline substitution independently enhances H-2D(b) complex stabilization and TCR recognition of melanoma-associated peptides.

    PubMed

    Uchtenhagen, Hannes; Abualrous, Esam T; Stahl, Evi; Allerbring, Eva B; Sluijter, Marjolein; Zacharias, Martin; Sandalova, Tatyana; van Hall, Thorbald; Springer, Sebastian; Nygren, Per-Åke; Achour, Adnane

    2013-11-01

    The immunogenicity of H-2D(b) (D(b)) restricted epitopes can be significantly increased by substituting peptide position 3 to a proline (p3P). The p3P modification enhances MHC stability without altering the conformation of the modified epitope allowing for T-cell cross-reactivity with the native peptide. The present study reveals how specific interactions between p3P and the highly conserved MHC heavy chain residue Y159 increase the stability of D(b) in complex with an optimized version of the melanoma-associated epitope gp10025-33 . Furthermore, the p3P modification directly increased the affinity of the D(b)/gp10025-33 -specific T-cell receptor (TCR) pMel. Surprisingly, the enhanced TCR binding was independent from the observed increased stability of the optimized D(b)/gp10025-33 complex and from the interactions formed between p3P and Y159, indicating a direct effect of the p3P modification on TCR recognition. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Physics of planetary rings

    NASA Astrophysics Data System (ADS)

    Gorkavyi, N.

    2007-08-01

    It is difficult to enumerate all the surprises presented by the planetary rings. The Saturnian rings are stratified into thousands of ringlets and the Uranian rings are compressed into narrow streams, which for some reason or other differ from circular orbits like the wheel of an old bicycle. The edge of the rings is jagged and the rings themselves are pegged down under the gravitational pressure of the satellites, bending like a ship's wake. There are spiral waves, elliptical rings, strange interlacing of narrow ringlets, and to cap it all one has observed in the Neptunian ring system three dense, bright arcs - like bunches of sausages on a transparent string. For celestial mechanics this is a spectacle as unnatural as a bear's tooth in the necklace of the English queen. In the dynamics of planetary rings the physics of collective interaction was supplemented by taking collisions between particles into account. One was led to study a kinetic equation with a rather complex collision integral - because the collisions are inelastic - which later on made it possible, both by using the Chapman-Enskog method and by using the solution of the kinetic equation for a plasma in a magnetic field, to reduce it to a closed set of (hydrodynamical) moment equations [1]. The hydrodynamical instabilities lead to the growth of short-wavelength waves and large-scale structures of the Saturnian rings [1]. We have shown that the formation of the existing dense Uranian rings is connected with the capture of positively drifting ring particles in inner Lindblad resonances which arrest this drift [1]. After the formation of dense rings at the positions of satellite resonances the collective interaction between resonant particles is amplified and the rings can leave the resonance and drift away from the planet and the parent resonance. We can expect in the C ring an appreciable positive ballistic particle drift caused by the erosion of the B ring by micrometeorites. It is therefore natural

  11. Correlation among Singlet-Oxygen Quenching, Free-Radical Scavenging, and Excited-State Intramolecular-Proton-Transfer Activities in Hydroxyflavones, Anthocyanidins, and 1-Hydroxyanthraquinones.

    PubMed

    Nagaoka, Shin-Ichi; Bandoh, Yuki; Nagashima, Umpei; Ohara, Keishi

    2017-10-26

    Singlet-oxygen ( 1 O 2 ) quenching, free-radical scavenging, and excited-state intramolecular proton-transfer (ESIPT) activities of hydroxyflavones, anthocyanidins, and 1-hydroxyanthraquinones were studied by means of laser, stopped-flow, and steady-state spectroscopies. In hydroxyflavones and anthocyanidins, the 1 O 2 quenching activity positively correlates to the free-radical scavenging activity. The reason for this correlation can be understood by considering that an early step of each reaction involves electron transfer from the unfused phenyl ring (B-ring), which is singly bonded to the bicyclic chromen or chromenylium moiety (A- and C-rings). Substitution of an electron-donating OH group at B-ring enhances the electron transfer leading to activation of the 1 O 2 quenching and free-radical scavenging. In 3-hydroxyflavones, the OH substitution at B-ring reduces the activity of ESIPT within C-ring, which can be explained in terms of the nodal-plane model. As a result, the 1 O 2 quenching and free-radical scavenging activities negatively correlate to the ESIPT activity. A catechol structure at B-ring is another factor that enhances the free-radical scavenging in hydroxyflavones. In contrast to these hydroxyflavones, 1-hydroxyanthraquinones having an electron-donating OH substituent adjacent to the O-H---O═C moiety susceptible to ESIPT do not show a simple correlation between their 1 O 2 quenching and ESIPT activities, because the OH substitution modulates these reactions.

  12. Ring-like distribution of constitutive heterochromatin in bovine senescent cells.

    PubMed

    Pichugin, Andrey; Beaujean, Nathalie; Vignon, Xavier; Vassetzky, Yegor

    2011-01-01

    Cells that reach "Hayflick limit" of proliferation, known as senescent cells, possess a particular type of nuclear architecture. Human senescent cells are characterized by the presence of highly condensed senescent associated heterochromatin foci (SAHF) that can be detected both by immunostaining for histone H3 three-methylated at lysine 9 (H3K9me3) and by DAPI counterstaining. We have studied nuclear architecture in bovine senescent cells using a combination of immunofluorescence and 3D fluorescent in-situ hybridization (FISH). Analysis of heterochromatin distribution in bovine senescent cells using fluorescent in situ hybridization for pericentric chromosomal regions, immunostaining of H3K9me3, centromeric proteins CENP A/B and DNA methylation showed a lower level of heterochromatin condensation as compared to young cells. No SAHF foci were observed. Instead, we observed fibrous ring-like or ribbon-like heterochromatin patterns that were undetectable with DAPI counterstaining. These heterochromatin fibers were associated with nucleoli. Constitutive heterochromatin in bovine senescent cells is organized in ring-like structures.

  13. Nonsynonymous substitution rate heterogeneity in the peptide-binding region among different HLA-DRB1 lineages in humans.

    PubMed

    Yasukochi, Yoshiki; Satta, Yoko

    2014-05-02

    An extraordinary diversity of amino acid sequences in the peptide-binding region (PBR) of human leukocyte antigen [HLA; human major histocompatibility complex (MHC)] molecules has been maintained by balancing selection. The process of accumulation of amino acid diversity in the PBR for six HLA genes (HLA-A, B, C, DRB1, DQB1, and DPB1) shows that the number of amino acid substitutions in the PBR among alleles does not linearly correlate with the divergence time of alleles at the six HLA loci. At these loci, some pairs of alleles show significantly less nonsynonymous substitutions at the PBR than expected from the divergence time. The same phenomenon was observed not only in the HLA but also in the rat MHC. To identify the cause for this, DRB1 sequences, a representative case of a typical nonlinear pattern of substitutions, were examined. When the amino acid substitutions in the PBR were placed with maximum parsimony on a maximum likelihood tree based on the non-PBR substitutions, heterogeneous rates of nonsynonymous substitutions in the PBR were observed on several branches. A computer simulation supported the hypothesis that allelic pairs with low PBR substitution rates were responsible for the stagnation of accumulation of PBR nonsynonymous substitutions. From these observations, we conclude that the nonsynonymous substitution rate at the PBR sites is not constant among the allelic lineages. The deceleration of the rate may be caused by the coexistence of certain pathogens for a substantially long time during HLA evolution. Copyright © 2014 Yasukochi and Satta.

  14. Contrasting Patterns of Nucleotide Substitution Rates Provide Insight into Dynamic Evolution of Plastid and Mitochondrial Genomes of Geranium

    PubMed Central

    Park, Seongjun; Ruhlman, Tracey A.; Weng, Mao-Lun; Hajrah, Nahid H.; Sabir, Jamal S.M.

    2017-01-01

    Abstract Geraniaceae have emerged as a model system for investigating the causes and consequences of variation in plastid and mitochondrial genomes. Incredible structural variation in plastid genomes (plastomes) and highly accelerated evolutionary rates have been reported in selected lineages and functional groups of genes in both plastomes and mitochondrial genomes (mitogenomes), and these phenomena have been implicated in cytonuclear incompatibility. Previous organelle genome studies have included limited sampling of Geranium, the largest genus in the family with over 400 species. This study reports on rates and patterns of nucleotide substitutions in plastomes and mitogenomes of 17 species of Geranium and representatives of other Geraniaceae. As detected across other angiosperms, substitution rates in the plastome are 3.5 times higher than the mitogenome in most Geranium. However, in the branch leading to Geranium brycei/Geranium incanum mitochondrial genes experienced significantly higher dN and dS than plastid genes, a pattern that has only been detected in one other angiosperm. Furthermore, rate accelerations differ in the two organelle genomes with plastomes having increased dN and mitogenomes with increased dS. In the Geranium phaeum/Geranium reflexum clade, duplicate copies of clpP and rpoA genes that experienced asymmetric rate divergence were detected in the single copy region of the plastome. In the case of rpoA, the branch leading to G. phaeum/G. reflexum experienced positive selection or relaxation of purifying selection. Finally, the evolution of acetyl-CoA carboxylase is unusual in Geraniaceae because it is only the second angiosperm family where both prokaryotic and eukaryotic ACCases functionally coexist in the plastid. PMID:28854633

  15. Functionalization of metallabenzenes through nucleophilic aromatic substitution of hydrogen.

    PubMed

    Clark, George R; Ferguson, Lauren A; McIntosh, Amy E; Söhnel, Tilo; Wright, L James

    2010-09-29

    The cationic metallabenzenes [Ir(C(5)H(4){SMe-1})(κ(2)-S(2)CNEt(2))(PPh(3))(2)]PF(6) (1) and [Os(C(5)H(4){SMe-1})(CO)(2)(PPh(3))(2)][CF(3)SO(3)] (2) undergo regioselective nucleophilic aromatic substitution of hydrogen at the metallabenzene ring position γ to the metal in a two-step process that first involves treatment with appropriate nucleophiles and then oxidation. Thus, reaction between compound 1 and NaBH(4), MeLi, or NaOEt gives the corresponding neutral iridacyclohexa-1,4-diene complexes Ir(C(5)H(3){SMe-1}{H-3}{Nu-3})(κ(2)-S(2)CNEt(2))(PPh(3))(2) (Nu = H (3), Me (4), OEt (5)). Similarly, reaction between 2 and NaBH(4) or MeLi gives the corresponding osmacyclohexa-1,4-diene complexes Os(C(5)H(3){SMe-1}{H-3}{Nu-3})(CO)(2)(PPh(3))(2) (Nu = H (8), Me (9)). The metallacyclohexa-1,4-diene rings in all these compounds are rearomatized on treatment with the oxidizing agent O(2), CuCl(2), or 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). Accordingly, the cationic metallabenzene 1 or 2 is returned after reaction between 3 and DDQ/NEt(4)PF(6) or between 8 and DDQ/NaO(3)SCF(3), respectively. The substituted cationic iridabenzene [Ir(C(5)H(3){SMe-1}{Me-3})(κ(2)-S(2)CNEt(2))(PPh(3))(2)]PF(6) (6) or [Ir(C(5)H(4){SMe-1}{OEt-3})(κ(2)-S(2)CNEt(2))(PPh(3))(2)]PF(6) (7) is produced in a similar manner through reaction between 4 or 5, respectively, and DDQ/NEt(4)PF(6), and the substituted cationic osmabenzene [Os(C(5)H(3){SMe-1}{Me-3})(CO)(2)(PPh(3))(2)]Cl (10) is formed in good yield on treatment of 9 with CuCl(2). The starting cationic iridabenzene 1 is conveniently prepared by treatment of the neutral iridabenzene Ir(C(5)H(4){SMe-1})Cl(2)(PPh(3))(2) with NaS(2)CNEt(2) and NEt(4)PF(6), and the related starting cationic osmabenzene 2 is obtained by treatment of Os(C(5)H(4){S-1})(CO)(PPh(3))(2) with CF(3)SO(3)CH(3) and CO. The stepwise transformations of 1 into 6 or 7 as well as 2 into 10 provide the first examples in metallabenzene chemistry of regioselective

  16. Halogeno-substituted 2-aminobenzoic acid derivatives for negative ion fragmentation studies of N-linked carbohydrates.

    PubMed

    Harvey, David J

    2005-01-01

    Negative ion electrospray mass spectra of high-mannose N-linked glycans derivatised with 2-aminobenzoic acids and ionised from solutions containing ammonium hydroxide gave prominent [M-H](-) ions accompanied by weaker [M-2H](2-) ions. Fragmentation of both types of ions gave prominent singly charged glycosidic cleavage ions containing the derivatised reducing terminus and ions from the non-reducing terminus that appeared to be products of cross-ring cleavages. Differentiation of these two groups of ions was conveniently achieved in a single spectrum by use of chloro- or bromo-substituted benzoic acids in order to label ions containing the derivative with an atom with a distinctive isotope pattern. Fragmentation of the doubly charged ions gave more abundant fragments, both singly and doubly charged, than did fragmentation of the singly charged ions, but information of chain branching was masked by the appearance of prominent ions produced by internal cleavages. Copyright (c) 2005 John Wiley & Sons, Ltd.

  17. Normal-phase liquid chromatography retention behavior of polycyclic aromatic sulfur heterocycles and alkyl-substituted polycyclic aromatic sulfur heterocycle isomers on an aminopropyl stationary phase.

    PubMed

    Wilson, Walter B; Hayes, Hugh V; Sander, Lane C; Campiglia, Andres D; Wise, Stephen A

    2018-02-01

    Retention indices for 67 polycyclic aromatic sulfur heterocycles (PASHs) and 80 alkyl-substituted PASHs were determined using normal-phase liquid chromatography (NPLC) on an aminopropyl (NH 2 ) stationary phase. The retention behavior of PASH on the NH 2 phase is correlated with the number of aromatic carbon atoms and two structural characteristics have a significant influence on their retention: non-planarity (thickness, T) and the position of the sulfur atom in the bay-region of the structure. Correlations between solute retention on the NH 2 phase and T of PASHs were investigated for three cata-condensed (cata-) PASH isomer groups: (a) 13 four-ring molecular mass (MM) 234 Da cata-PASHs, (b) 20 five-ring MM 284 Da cata-PASHs, and (c) 12 six-ring MM 334 Da cata-PASHs. Correlation coefficients ranged from r = -0.49 (MM 234 Da) to r = -0.65 (MM 334 Da), which were significantly lower than structurally similar PAH isomer groups (r = -0.70 to r = -0.99). The NPLC retention behavior of the PASHs are compared to similar results for PAHs.

  18. Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs. nitrone route.

    PubMed

    Mirabella, S; Fibbi, G; Matassini, C; Faggi, C; Goti, A; Cardona, F

    2017-11-07

    A dual synthetic strategy to afford 2-substituted trihydroxypiperidines is disclosed. The procedure involved Grignard addition either to a carbohydrate-derived aldehyde or to a nitrone derived thereof, and took advantage of an efficient ring-closure reductive amination strategy in the final cyclization step. An opposite diastereofacial preference was demonstrated in the nucleophilic attack to the two electrophiles, which would finally produce the same piperidine diastereoisomer as the major product. However, use of a suitable Lewis acid in the Grignard addition to the nitrone allowed reversing the selectivity, giving access to 2-substituted piperidines with the opposite configuration at C-2.

  19. Desensitization of B-adrenergic receptors following repeated injections of 2-substituted-4-phenylquinolines

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alhaider, A.A.

    1986-03-05

    In a previous work, they synthesized some new 2-substituted-4-phenylquinoline derivatives which demonstrated potent antidepressant activities as revealed by their antagonism to the uptake of /sup 3/(H)-norepinephrine and /sup 3/(H)-serotonin into brain synaptosomal preparation. Also, these compounds have demonstrated less anticholinergic, antihistamine and cardiovascular effects as compared to imipramine in animal models. In this present work, the chronic effects of some of these compounds on the sensitivity of the noradrenergic cyclic-AMP generating system on rat brain cortex has been conducted by the daily injection of 20 mg/kg i.p. for a period of three weeks. Imipramine and trazodone were utilized as standards,more » representing typical and atypical antidepressants, respectively. Acute treatment (single dose 20 mg/kg) and subchronic treatment (20 mg/kg for 10 days) produced no significant desensitization of the B-adrenoceptors. However, chronic treatment with the compounds significantly decreased isoprenaline-induced increase in c-AMP in the cortex which suggests desensitization of B-adrenoceptors. This effect coupled with the previous findings point to a potential rule of these compounds as suitable antidepressant candidates.« less

  20. Structural analysis of HLA-B40 epitopes.

    PubMed

    Kawaguchi, G; Kato, N; Kashiwase, K; Karaki, S; Kohsaka, T; Akaza, T; Kano, K; Takiguchi, M

    1993-03-01

    Two genes encoding HLA-B60 or HLA-B61 were cloned from Japanese and the exons of their genes were sequenced. One silent mutation was observed at the exon 1 between HLA-B60 (B*40012) and B*40011. Seven nucleotide substitutions were seen at the exon 3 between HLA-B61 (B*4006) and B*4002. Three substitutions at codon 95, CTC in B*4002 to TGG in B*4006, changed Leu in B*4002 to Trp in B*4006, while two substitutions at codon 97, AGC in B*4002 and ACG in B*4006, changed Ser in B*4002 to Thr in B*4006. Since B*4002 shares the epitope of alloantibodies specific for HLA-B61, two HLA-B61 subtypes are discriminated by two amino acid substitutions at residues 95 and 97. B*40012 and B*4006 differ by four amino acid substitutions on the beta sheet and five amino acid substitutions on the alpha 2 helix. Since the residues at the beta sheet seem hardly to affect the binding of alloantibody, it is suspected that the residues on the alpha 2 helix provide epitopes for alloantibodies that discriminate allospecificity between HLA-B60 and HLA-B61.

  1. Spectral energy distribution simulations of a possible ring structure around the young, red brown dwarf G 196-3 B

    NASA Astrophysics Data System (ADS)

    Zakhozhay, Olga V.; Zapatero Osorio, María Rosa; Béjar, Víctor J. S.; Boehler, Yann

    2017-01-01

    The origin of the very red optical and infrared colours of intermediate-age (˜10-500 Myr) L-type dwarfs remains unknown. It has been suggested that low-gravity atmospheres containing large amounts of dust may account for the observed reddish nature. We explored an alternative scenario by simulating debris disc around G 196-3 B, which is an L3 young brown dwarf with a mass of ˜15 MJup and an age in the interval 20-300 Myr. The best-fit solution to G 196-3 B's photometric spectral energy distribution from optical wavelengths through 24 μm corresponds to the combination of an unreddened L3 atmosphere (Teff ≈ 1870 K) and a warm (≈1280 K), narrow (≈0.07-0.11 R⊙) debris disc located at very close distances (≈0.12-0.20 R⊙) from the central brown dwarf. This putative, optically thick, dusty belt, whose presence is compatible with the relatively young system age, would have a mass ≥7 × 10-10 M⊕ comprised of submicron/micron characteristic dusty particles with temperatures close to the sublimation threshold of silicates. Considering the derived global properties of the belt and the disc-to-brown dwarf mass ratio, the dusty ring around G 196-3 B may resemble the rings of Neptune and Jupiter, except for its high temperature and thick vertical height (≈6 × 103 km). Our inferred debris disc model is able to reproduce G 196-3 B's spectral energy distribution to a satisfactory level of achievement.

  2. Improved piston ring materials for 650 deg C service

    NASA Technical Reports Server (NTRS)

    Bjorndahl, W. D.

    1986-01-01

    A program to develop piston ring material systems which will operate at 650C was performed. In this program, two candidate high temperature piston ring substrate materials, Carpenter 709-2 and 440B, were hot formed into the piston ring shape and subsequently evaluated. In a parallel development effort ceramic and metallic piston ring coating materials were applied to cast iron rings by various processing techniques and then subjected to thermal shock and wear evaluation. Finally, promising candidate coatings were applied to the most thermally stable hot formed substrate. The results of evaluation tests of the hot formed substrate show that Carpenter 709-2 has greater thermal stability than 440B. Of the candidate coatings, plasma transferred arc (PTA) applied tungsten carbide and molybdenum based systems exhibit the greatest resistance to thermal shock. For the ceramic based systems, thermal shock resistance was improved by bond coat grading. Wear testing was conducted to 650C (1202F). For ceramic systems, the alumina/titania/zirconia/yttria composition showed highest wear resistance. For the PTA applied systems, the tungsten carbide based system showed highest wear resistance.

  3. Receptor interactrions of imidazolines. VI. Significance of carbon bridge separating phenyl and imidazoline rings of tolazoline-like alpha adrenergic imidazolines.

    PubMed

    Ruffolo, R R; Yaden, E L; Waddell, J E; Dillard, R D

    1980-09-01

    The pharmacological significance of the carbon bridge separating the imidazoline and phenyl rings of tolazoline-like alpha adrenergic imidazolines has been investigated. Extending the carbon bridge to two carbon atoms, or deleting the carbon bridge, lowers affinity of the imidazolines for the alpha receptor and markedly decreases or abolishes efficacy (i.e., agonist activity), suggesting that a single carbon atome optimallyu separates the phenyl and imidazoline rings. Although one carbon is optimal for alpha adrenergic activity, this particular atom does not appear to be essential since nitrogen may substitute for carbon with no marked or consistent changes observed in affinity or efficacy. Hydroxylation of the carbon bridge decreases affinity for the receptor approximately 10-fold but does not alter efficacy, whereas a similar substitution made in the norepinephrine-series of phenethylamines markedly increases affinity (Patil et al., 1974). With both the imidazolines and phenethylamines, this carbon atom may stereoselectively influence binding to the receptor. These results suggest that the carbon atom bridging the phenyl and imidazoline rings of tolazoline-like imidazolines serves only to provide optimal separation between these rings and does not contribute directly to the binding process. It is proposed that alpha adrenergic imidazolines interact differently with the alpha adrenergic receptor than the norepinephrine-like phenethylamines.

  4. An N-body Integrator for Planetary Rings

    NASA Astrophysics Data System (ADS)

    Hahn, Joseph M.

    2011-04-01

    A planetary ring that is disturbed by a satellite's resonant perturbation can respond in an organized way. When the resonance lies in the ring's interior, the ring responds via an m-armed spiral wave, while a ring whose edge is confined by the resonance exhibits an m-lobed scalloping along the ring-edge. The amplitude of these disturbances are sensitive to ring surface density and viscosity, so modelling these phenomena can provide estimates of the ring's properties. However a brute force attempt to simulate a ring's full azimuthal extent with an N-body code will likely fail because of the large number of particles needed to resolve the ring's behavior. Another impediment is the gravitational stirring that occurs among the simulated particles, which can wash out the ring's organized response. However it is possible to adapt an N-body integrator so that it can simulate a ring's collective response to resonant perturbations. The code developed here uses a few thousand massless particles to trace streamlines within the ring. Particles are close in a radial sense to these streamlines, which allows streamlines to be treated as straight wires of constant linear density. Consequently, gravity due to these streamline is a simple function of the particle's radial distance to all streamlines. And because particles are responding to smooth gravitating streamlines, rather than discrete particles, this method eliminates the stirring that ordinarily occurs in brute force N-body calculations. Note also that ring surface density is now a simple function of streamline separations, so effects due to ring pressure and viscosity are easily accounted for, too. A poster will describe this N-body method in greater detail. Simulations of spiral density waves and scalloped ring-edges are executed in typically ten minutes on a desktop PC, and results for Saturn's A and B rings will be presented at conference time.

  5. Expanding the network of crossdated tree-ring chronologies for Sequoia sempervirens

    Treesearch

    Allyson L. Carroll; Stephen C. Sillett; Ethan J. Coonen; Benjamin G. Iberle

    2017-01-01

    Crossdated tree-ring chronologies for the Arcata Community Forest (ACF) and Muir Woods National Monument (Muir Woods) expand the spatial coverage of dated coast redwood (Sequoia sempervirens (D. Don) Endl.) series. Crossdating relies on the common pattern of ring-width variation among tree populations, and dated chronologies have many applications...

  6. Brillouin function characteristics for La-Co substituted barium hexaferrites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Chuanjian, E-mail: wcjuestc2005@gmail.com, E-mail: ksun@uestc.edu.cn; Yu, Zhong; Sun, Ke, E-mail: wcjuestc2005@gmail.com, E-mail: ksun@uestc.edu.cn

    2015-09-14

    La-Co substituted barium hexaferrites with the chemical formula of Ba{sub 1−x}La{sub x}Fe{sub 12−x}Co{sub x}O{sub 19} (x = 0.0, 0.1, 0.3, and 0.5), prepared by a conventional ceramic method, were systematically investigated by Raman spectra, X-ray photoelectron spectroscopy, Rietveld refinement of X-ray diffraction patterns, and vibrating sample magnetometer. The result manifests that all the compounds are crystallized in magnetoplumbite hexagonal structure. Trivalent cobalt ions prevailingly occupy the 2a, 4f{sub 1}, and 12k sites. According to Néel model of collinear-spin ferrimagnetism, the molecular-field coefficients ω{sub bf2}, ω{sub kf1}, ω{sub af1}, ω{sub kf2}, and ω{sub bk} of La-Co substituted barium hexaferrites have been calculated usingmore » the nonlinear fitting method, and the magnetic moment of five sublattices (2a, 2b, 4f{sub 1}, 4f{sub 2}, and 12k) versus temperature T has been also investigated. The fitting results are coincided well with the experimental data. Moreover, with the increase of La-Co substitution amount x, the molecular-field coefficients ω{sub bf2} and ω{sub af1} decrease constantly, while the molecular-field coefficients ω{sub kf1}, ω{sub kf2}, and ω{sub bk} show a slight change.« less

  7. Meteoroidal Impacts, Plasma, Fine Structure of Ringlets and Spokes on Saturn's Ring B

    NASA Technical Reports Server (NTRS)

    Cook, A. F.; Hunt, G. E.; Barrey, R.

    1985-01-01

    The role of bombardment of the rings by the dominant size of meteoroids is examined. Also considered are the circumstances which explain the observed presence of spokes on both the illuminated and unilluminated faces of the ring; leading-trailing asymmetry in the behavior of the spokes, and the forward tilt in the spokes.

  8. Electron Transport and Nonlinear Optical Properties of Substituted Aryldimesityl Boranes: A DFT Study

    PubMed Central

    Pandith, Altaf Hussain; Islam, Nasarul

    2014-01-01

    A comprehensive theoretical study was carried out on a series of aryldimesityl borane (DMB) derivatives using Density Functional theory. Optimized geometries and electronic parameters like electron affinity, reorganization energy, frontiers molecular contours, polarizability and hyperpolarizability have been calculated by employing B3PW91/6-311++G (d, p) level of theory. Our results show that the Hammett function and geometrical parameters correlates well with the reorganization energies and hyperpolarizability for the series of DMB derivatives studied in this work. The orbital energy study reveals that the electron releasing substituents increase the LUMO energies and electron withdrawing substituents decrease the LUMO energies, reflecting the electron transport character of aryldimesityl borane derivatives. From frontier molecular orbitals diagram it is evident that mesityl rings act as the donor, while the phenylene and Boron atom appear as acceptors in these systems. The calculated hyperpolarizability of secondary amine derivative of DMB is 40 times higher than DMB (1). The electronic excitation contributions to the hyperpolarizability studied by using TDDFT calculation shows that hyperpolarizability correlates well with dipole moment in ground and excited state and excitation energy in terms of the two-level model. Thus the results of these calculations can be helpful in designing the DMB derivatives for efficient electron transport and nonlinear optical material by appropriate substitution with electron releasing or withdrawing substituents on phenyl ring of DMB system. PMID:25479382

  9. Large and small-scale structures in Saturn's rings

    NASA Astrophysics Data System (ADS)

    Albers, N.; Rehnberg, M. E.; Brown, Z. L.; Sremcevic, M.; Esposito, L. W.

    2017-09-01

    Observations made by the Cassini spacecraft have revealed both large and small scale structures in Saturn's rings in unprecedented detail. Analysis of high-resolution measurements by the Cassini Ultraviolet Spectrograph (UVIS) High Speed Photometer (HSP) and the Imaging Science Subsystem (ISS) show an abundance of intrinsic small-scale structures (or clumping) seen across the entire ring system. These include self-gravity wakes (50-100m), sub-km structure at the A and B ring edges, and "straw"/"ropy" structures (1-3km).

  10. A non-synonymous nucleotide substitution can account for one evolutionary route to sesquiterpene synthase activity in the TPS-b subgroup.

    PubMed

    Green, Sol; Baker, Edward N; Laing, William

    2011-06-23

    Plant sesquiterpene and hemiterpene synthases in the monoterpene synthase dominated TPS-b subgroup are thought to have evolved independently from a monoterpene synthase ancestor. A TPS-b sesquiterpene synthase from apple (MdAFS1), which predominantly produces α-farnesene, can also synthesize the monoterpene (E)-β-ocimene. The dual activity offered a functional link to an ancestral MdAFS1 enzyme and a rational basis for investigation of the evolution of TPS-b sesquiterpene enzymes. Protein modelling and mutagenesis analysis of the MdAFS1 active site identified a non-synonymous nucleotide substitution that could account for the requisite shift in substrate specificity necessary for the emergence of its sesquiterpene activity during the evolution of the TPS-b enzymes. Copyright © 2011 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  11. Growth ring formation in the starch granules of potato tubers.

    PubMed

    Pilling, Emma; Smith, Alison M

    2003-05-01

    Starch granules from higher plants contain alternating zones of semicrystalline and amorphous material known as growth rings. The regulation of growth ring formation is not understood. We provide several independent lines of evidence that growth ring formation in the starch granules of potato (Solanum tuberosum) tubers is not under diurnal control. Ring formation is not abolished by growth in constant conditions, and ring periodicity and appearance are relatively unaffected by a change from a 24-h to a 40-h photoperiod, and by alterations in substrate supply to the tuber that are known to affect the diurnal pattern of tuber starch synthesis. Some, but not all, of the features of ring formation are consistent with the involvement of a circadian rhythm. Such a rhythm might operate by changing the relative activities of starch-synthesizing enzymes: Growth ring formation is disrupted in tubers with reduced activity of a major isoform of starch synthase. We suggest that physical as well as biological mechanisms may contribute to the control of ring formation, and that a complex interplay of several factors may by involved.

  12. Apparatus for Teaching Physics: Giant Newton's Rings.

    ERIC Educational Resources Information Center

    Cheung, Kai-yin; Mak, Se-yuen

    1996-01-01

    Describes a modification of the traditional demonstration of Newton's rings that magnifies the scale of the interference pattern so that the demonstration can be used for the whole class or for semiquantitative measurements in any high school laboratory. (JRH)

  13. Revisiting shape selectivity in liquid chromatography for polycyclic aromatic hydrocarbons (PAHs) - six-ring and seven-ring Cata-condensed PAH isomers of molecular mass 328 Da and 378 Da.

    PubMed

    Oña-Ruales, Jorge O; Sander, Lane C; Wilson, Walter B; Wise, Stephen A

    2018-01-01

    The relationship of reversed-phase liquid chromatography (RPLC) retention on a polymeric C 18 stationary phase and the shape of polycyclic aromatic hydrocarbons (PAHs) was investigated for three-ring to seven-ring cata-condensed isomers. We report the first RPLC separation for six-ring and seven-ring cata-condensed PAH isomers. Correlations of LC retention and shape parameters (length-to-breath ratio, L/B and thickness, T) were investigated for 2 three-ring isomers (molecular mass 178 Da), 5 four-ring isomers (molecular mass 228 Da), 11 five-ring isomers (molecular mass 278 Da), 17 six-ring isomers (molecular mass 328 Da), and 20 seven-ring isomers (molecular mass 378 Da). Significant linear correlations were found for all isomer groups (r = 0.71 to 0.94). Nonplanarity of the PAH isomers was found to influence retention (i.e., nonplanar isomers eluting earlier than expected based on L/B) and linear correlations of retention vs. T for isomer groups containing nonplanar isomers were significant (r = 0.71 to 0.86). Graphical abstract.

  14. Ring Current Dynamics in Moderate and Strong Storms: Comparative Analysis of TWINS and IMAGE/HENA Data with the Comprehensive Ring Current Model

    NASA Technical Reports Server (NTRS)

    Buzulukova, N.; Fok, M.-C.; Goldstein, J.; Valek, P.; McComas, D. J.; Brandt, P. C.

    2010-01-01

    We present a comparative study of ring current dynamics during strong and moderate storms. The ring current during the strong storm is studied with IMAGE/HENA data near the solar cycle maximum in 2000. The ring current during the moderate storm is studied using energetic neutral atom (ENA) data from the Two Wide-Angle Imaging Neutral- Atom Spectrometers (TWINS) mission during the solar minimum in 2008. For both storms, the local time distributions of ENA emissions show signatures of postmidnight enhancement (PME) during the main phases. To model the ring current and ENA emissions, we use the Comprehensive Ring Current Model (CRCM). CRCM results show that the main-phase ring current pressure peaks in the premidnight-dusk sector, while the most intense CRCM-simulated ENA emissions show PME signatures. We analyze two factors to explain this difference: the dependence of charge-exchange cross section on energy and pitch angle distributions of ring current. We find that the IMF By effect (twisting of the convection pattern due to By) is not needed to form the PME. Additionally, the PME is more pronounced for the strong storm, although relative shielding and hence electric field skewing is well developed for both events.

  15. Number of Hydroxyl Groups on the B-Ring of Flavonoids Affects Their Antioxidant Activity and Interaction with Phorbol Ester Binding Site of PKCδ C1B Domain: In Vitro and in Silico Studies.

    PubMed

    Kongpichitchoke, Teeradate; Hsu, Jue-Liang; Huang, Tzou-Chi

    2015-05-13

    Although flavonoids have been reported for their benefits and nutraceutical potential use, the importance of their structure on their beneficial effects, especially on signal transduction mechanisms, has not been well clarified. In this study, three flavonoids, pinocembrin, naringenin, and eriodictyol, were chosen to determine the effect of hydroxyl groups on the B-ring of flavonoid structure on their antioxidant activity. In vitro assays, including DPPH scavenging activity, ROS quantification by flow cytometer, and proteins immunoblotting, and in silico analysis by molecular docking between the flavonoids and C1B domain of PKCδ phorbol ester binding site were both used to complete this study. Eriodictyol (10 μM), containing two hydroxyl groups on the B-ring, exhibited significantly higher (p < 0.05) antioxidant activity than pinocembrin and naringenin. The IC50 values of eriodictyol, naringenin, and pinocembrin were 17.4 ± 0.40, 30.2 ± 0.61, and 44.9 ± 0.57 μM, respectively. In addition, eriodictyol at 10 μM remarkably inhibited the phosphorylation of PKCδ at 63.4% compared with PMA-activated RAW264.7, whereas pinocembrin and naringenin performed inhibition activity at 76.8 and 72.6%, respectively. According to the molecular docking analysis, pinocembrin, naringenin, and eriodictyol showed -CDOCKER_energy values of 15.22, 16.95, and 21.49, respectively, reflecting that eriodictyol could bind with the binding site better than the other two flavonoids. Interestingly, eriodictyol had a remarkably different pose to bind with the kinase as a result of the two hydroxyl groups on its B-ring, which consequently contributed to greater antioxidant activity over pinocembrin and naringenin.

  16. Kinetic modeling of the Saturn ring-ionosphere plasma environment

    NASA Technical Reports Server (NTRS)

    Wilson, G. R.; Waite, J. H., Jr.

    1989-01-01

    A time-independent kinetic plasma model was developed on the basis of the Li et al. (1988) semikinetic plasma model and was used to study the interaction of the Saturnian ionosphere and ring plasma. The model includes the gravitational magnetic mirror and centripetal and ambipolar electric forces, and the effect of the mixing of two plasma populations. The results obtained indicate that the density, temperature, and composition of plasma near the rings changing in the direction from the inner C ring to the outer A ring, due to the fact that the predominant source of plasma changes from the ionosphere to the rings. The model results also suggest that the outflow of hydrogen from the ionosphere to the rings may be shut off for field lines passing through the outer B and A ring, due to the ambipolar electric field set up by the warm ring plasma trapped near the ring plane by the centipetal force. In these regions, there will be a net flux of O(+) ions from the rings to the ionosphere.

  17. 40 CFR 721.9488 - Substituted resorcinols.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... reporting. (1) The chemical substances identified generically as substituted resorcinols (PMNs P-95-1103, P-95-1104, and P-96-1235) are subject to reporting under this section for the significant new uses.... Requirements as specified in § 721.90 (a)(4), (b)(4), and (c)(4) (N = 9). (ii) [Reserved] (b) Specific...

  18. Compositional Evolution of Saturn's Rings Due to Meteoroid Bombardment

    NASA Technical Reports Server (NTRS)

    Cuzzi, J.; Estrada, P.; Young, Richard E. (Technical Monitor)

    1997-01-01

    In this paper we address the question of compositional evolution in planetary ring systems subsequent to meteoroid bombardment. The huge surface area to mass ratio of planetary rings ensures that this is an important process, even with current uncertainties on the meteoroid flux. We develop a new model which includes both direct deposition of extrinsic meteoritic "pollutants", and ballistic transport of the increasingly polluted ring material as impact ejecta. Our study includes detailed radiative transfer modeling of ring particle spectral reflectivities based on refractive indices of realistic constituents. Voyager data have shown that the lower optical depth regions in Saturn's rings (the C ring and Cassini Division) have darker and less red particles than the optically thicken A and B rings. These coupled structural-compositional groupings have never been explained; we present and explore the hypothesis that global scale color and compositional differences in the main rings of Saturn arise naturally from extrinsic meteoroid bombardment of a ring system which was initially composed primarily, but not entirely, of water ice. We find that the regional color and albedo differences can be understood if all ring material was initially identical (primarily water ice, based on other data, but colored by tiny amounts of intrinsic reddish, plausibly organic, absorber) and then evolved entirely by addition and mixing of extrinsic, nearly neutrally colored. plausibly carbonaceous material. We further demonstrate that the detailed radial profile of color across the abrupt B ring - C ring boundary can.constrain key unknown parameters in the model. Using new alternates of parameter values, we estimate the duration of the exposure to extrinsic meteoroid flux of this part of the rings, at least, to be on the order of 10(exp 8) years. This conclusion is easily extended by inference to the Cassini Division and its surroundings as well. This geologically young "age" is compatible

  19. Complex Pattern of Resistance-Associated Substitutions of Hepatitis C Virus after Daclatasvir/Asunaprevir Treatment Failure

    PubMed Central

    Hasebe, Chitomi; Osaki, Yukio; Joko, Kouji; Yagisawa, Hitoshi; Sakita, Shinya; Okushin, Hiroaki; Satou, Takashi; Hisai, Hiroyuki; Abe, Takehiko; Tsuji, Keiji; Tamada, Takashi; Kobashi, Haruhiko; Mitsuda, Akeri; Ide, Yasushi; Ogawa, Chikara; Tsuruta, Syotaro; Takaguchi, Kouichi; Murakawa, Miyako; Asahina, Yasuhiro; Enomoto, Nobuyuki; Izumi, Namiki

    2016-01-01

    Backgrounds & Aims We aimed to clarify the characteristics of resistance-associated substitutions (RASs) after treatment failure with NS5A inhibitor, daclatasvir (DCV) in combination with NS3/4A inhibitor, asunaprevir (ASV), in patients with chronic hepatitis C virus genotype 1b infection. Methods This is a nationwide multicenter study conducted by the Japanese Red Cross Liver Study Group. The sera were obtained from 68 patients with virological failure after 24 weeks of DCV/ASV treatment. RASs in NS5A and NS3 were determined by population sequencing. Results The frequency of signature RASs at position D168 of NS3 was 68%, and at positions L31 and Y93 of NS5A was 79 and 76%, respectively. The frequency of dual signature RASs in NS5A (L31-RAS and Y93-RAS) was 63%. RASs at L28, R30, P32, Q54, P58, and A92 in addition to dual signature RAS were detected in 5, 5, 1, 22, 2, and 0 patients, respectively. In total, triple, quadruple, and quintuple RASs in combination with dual signature RAS were detected in 35, 10, and 1.5% patients, respectively. These RASs were detected in patients without baseline RASs or who prematurely discontinued therapy. Co-existence of D168 RAS in NS3 and L31 and/or Y93 RAS in NS5A was observed in 62% of patients. Conclusion Treatment-emergent RASs after failure with DCV/ASV combination therapy are highly complex in more than 50% of the patients. The identification of complex RAS patterns, which may indicate high levels of resistance to NS5A inhibitors, highlights the need for RAS sequencing when considering re-treatment with regimens including NS5A inhibitors. PMID:27776192

  20. SOI ring resonators with controllable MMI coupler sections

    NASA Astrophysics Data System (ADS)

    Hu, Youfang; Gardes, Frédéric Y.; Mashanovich, Goran Z.; Reed, Graham T.

    2011-01-01

    A ring resonator using a single 2×2 MMI as the coupler section has the distinct advantages of low sensitivity to fabrication error, temperature, wavelength and polarisation. However, the coupling coefficient of the 2×2 MMI coupler is fixed; hence, the performance of this type of device is limited, e.g. transmission spectrum with high extinction ratio is difficult to achieve. We have designed and simulated ring resonators with coupler sections consisting of two 2×2 MMIs and phase shifters, so that the coupling efficiency can be varied from 0% to 100% with relative ease. For a single ring resonator, the transmission spectrum can be controlled to achieve an extinction ratio of >20dB and a spectral bandwidth of <1nm. For a multiple ring filter, the transmission spectrum can be controlled to achieve an extinction ratio of >30dB and a bandwidth of <1nm in addition, a flat-top transmission spectrum is also achievable. The whole device has a footprint of approximately 200μm by 100μm.

  1. Optimizing the beam pattern of a forward-viewing ring-annular ultrasound array for intravascular imaging.

    PubMed

    Wang, Yao; Stephens, Douglas N; O'Donnell, Matthew

    2002-12-01

    Intravascular ultrasound (IVUS) imaging systems using circumferential arrays mounted on cardiac catheter tips fire beams orthogonal to the principal axis of the catheter. The system produces high resolution cross-sectional images but must be guided by conventional angioscopy. A real-time forward-viewing array, integrated into the same catheter, could greatly reduce radiation exposure by decreasing angiographic guidance. Unfortunately, the mounting requirement of a catheter guide wire prohibits a full-disk imaging aperture. Given only an annulus of array elements, prior theoretical investigations have only considered a circular ring of point transceivers and focusing strategies using all elements in the highly dense array, both impractical assumptions. In this paper, we consider a practical array geometry and signal processing architecture for a forward-viewing IVUS system. Our specific design uses a total of 210 transceiver firings with synthetic reconstruction for a given 3-D image frame. Simulation results demonstrate this design can achieve side-lobes under -40 dB for on-axis situations and under -30 dB for steering to the edge of a 80 degrees cone.

  2. Report of the eRHIC Ring-Ring Working Group

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aschenauer, E. C.; Berg, S.; Blaskiewicz, M.

    2015-10-13

    This report evaluates the ring-ring option for eRHIC as a lower risk alternative to the linac-ring option. The reduced risk goes along with a reduced initial luminosity performance. However, a luminosity upgrade path is kept open. This upgrade path consists of two branches, with the ultimate upgrade being either a ring-ring or a linac-ring scheme. The linac-ring upgrade could be almost identical to the proposed linac-ring scheme, which is based on an ERL in the RHIC tunnel. This linac-ring version has been studied in great detail over the past ten years, and its significant risks are known. On the othermore » hand, no detailed work on an ultimate performance ring-ring scenario has been performed yet, other than the development of a consistent parameter set. Pursuing the ring-ring upgrade path introduces high risks and requires significant design work that is beyond the scope of this report.« less

  3. Pattern Formation of Bacterial Colonies by Escherichia coli

    NASA Astrophysics Data System (ADS)

    Tokita, Rie; Katoh, Takaki; Maeda, Yusuke; Wakita, Jun-ichi; Sano, Masaki; Matsuyama, Tohey; Matsushita, Mitsugu

    2009-07-01

    We have studied the morphological diversity and change in bacterial colonies, using the bacterial species Escherichia coli, as a function of both agar concentration Ca and nutrient concentration Cn. We observed various colony patterns, classified them into four types by pattern characteristics and established a morphological diagram by dividing it into four regions. They are regions A [diffusion-limited aggregation (DLA)-like], B (Eden-like), C (concentric-ring), and D (fluid-spreading). In particular, we have observed a concentric-ring colony growth for E. coli. We focused on the periodic growth in region C and obtained the following results: (i) A colony grows cyclically with the growing front repeating an advance (migration phase) and a momentary rest (consolidation phase) alternately. (ii) The growth width L and the bulge width W in one cycle decrease asymptotically to certain values, when Ca is increased. (iii) L does not depend on Cn, while W is an increasing function of Cn. Plausible mechanisms are proposed to explain the experimental results, by comparing them with those obtained for other bacterial species such as Proteus mirabilis and Bacillus subtilis.

  4. Double-layer interlaced nested multi-ring array metallic mesh for high-performance transparent electromagnetic interference shielding.

    PubMed

    Wang, Heyan; Lu, Zhengang; Liu, Yeshu; Tan, Jiubin; Ma, Limin; Lin, Shen

    2017-04-15

    We report a nested multi-ring array metallic mesh (NMA-MM) that shows a highly uniform diffraction pattern theoretically and experimentally. Then a high-performance transparent electromagnetic interference (EMI) shielding structure is constituted by the double-layer interlaced NMA-MMs separated by transparent quartz-glass substrate. Experimental results show that double-layer interlaced NMA-MM structure exhibits a shielding effectiveness (SE) of over 27 dB in the Ku-band, with a maximal SE of 37 dB at 12 GHz, normalized optical transmittance of 90%, and minimal image quality degradation due to the interlaced arrangement. It thus shows great potential for practical applications in transparent EMI shielding devices.

  5. Highly linear ring modulator from hybrid silicon and lithium niobate.

    PubMed

    Chen, Li; Chen, Jiahong; Nagy, Jonathan; Reano, Ronald M

    2015-05-18

    We present a highly linear ring modulator from the bonding of ion-sliced x-cut lithium niobate onto a silicon ring resonator. The third order intermodulation distortion spurious free dynamic range is measured to be 98.1 dB Hz(2/3) and 87.6 dB Hz(2/3) at 1 GHz and 10 GHz, respectively. The linearity is comparable to a reference lithium niobate Mach-Zehnder interferometer modulator operating at quadrature and over an order of magnitude greater than silicon ring modulators based on plasma dispersion effect. Compact modulators for analog optical links that exploit the second order susceptibility of lithium niobate on the silicon platform are envisioned.

  6. Contrasting Patterns of Nucleotide Substitution Rates Provide Insight into Dynamic Evolution of Plastid and Mitochondrial Genomes of Geranium.

    PubMed

    Park, Seongjun; Ruhlman, Tracey A; Weng, Mao-Lun; Hajrah, Nahid H; Sabir, Jamal S M; Jansen, Robert K

    2017-06-01

    Geraniaceae have emerged as a model system for investigating the causes and consequences of variation in plastid and mitochondrial genomes. Incredible structural variation in plastid genomes (plastomes) and highly accelerated evolutionary rates have been reported in selected lineages and functional groups of genes in both plastomes and mitochondrial genomes (mitogenomes), and these phenomena have been implicated in cytonuclear incompatibility. Previous organelle genome studies have included limited sampling of Geranium, the largest genus in the family with over 400 species. This study reports on rates and patterns of nucleotide substitutions in plastomes and mitogenomes of 17 species of Geranium and representatives of other Geraniaceae. As detected across other angiosperms, substitution rates in the plastome are 3.5 times higher than the mitogenome in most Geranium. However, in the branch leading to Geranium brycei/Geranium incanum mitochondrial genes experienced significantly higher dN and dS than plastid genes, a pattern that has only been detected in one other angiosperm. Furthermore, rate accelerations differ in the two organelle genomes with plastomes having increased dN and mitogenomes with increased dS. In the Geranium phaeum/Geranium reflexum clade, duplicate copies of clpP and rpoA genes that experienced asymmetric rate divergence were detected in the single copy region of the plastome. In the case of rpoA, the branch leading to G. phaeum/G. reflexum experienced positive selection or relaxation of purifying selection. Finally, the evolution of acetyl-CoA carboxylase is unusual in Geraniaceae because it is only the second angiosperm family where both prokaryotic and eukaryotic ACCases functionally coexist in the plastid. © The Author 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

  7. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.981 Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new...

  8. Can Cannabis be Considered a Substitute Medication for Alcohol?

    PubMed Central

    Subbaraman, Meenakshi Sabina

    2014-01-01

    Aims: Substituting cannabis for alcohol may reduce drinking and related problems among alcohol-dependent individuals. Some even recommend prescribing medical cannabis to individuals attempting to reduce drinking. The primary aim of this review is to assess whether cannabis satisfies the seven previously published criteria for substitute medications for alcohol [e.g. ‘reduces alcohol-related harms’; ‘is safer in overdose than alcohol’; ‘should offer significant health economic benefits’; see Chick and Nutt ((2012) Substitution therapy for alcoholism: time for a reappraisal? J Psychopharmacol 26:205–12)]. Methods: Literature review. Results: All criteria appear either satisfied or partially satisfied, though studies relying on medical cannabis patients may be limited by selection bias and/or retrospective designs. Individual-level factors, such as severity of alcohol problems, may also moderate substitution. Conclusions: There is no clear pattern of outcomes related to cannabis substitution. Most importantly, the recommendation to prescribe alcohol-dependent individuals cannabis to help reduce drinking is premature. Future studies should use longitudinal data to better understand the consequences of cannabis substitution. PMID:24402247

  9. FIBER OPTICS: Polarization phase nonreciprocity in all-fiber ring interferometers

    NASA Astrophysics Data System (ADS)

    Andreev, A. Ts; Vasilev, V. D.; Kozlov, V. A.; Kuznetsov, A. V.; Senatorov, A. A.; Shubochkin, R. L.

    1993-08-01

    The polarization phase nonreciprocity in all-fiber ring interferometers based on single-mode optical fibers was studied experimentally. The results confirm existing theoretical models. Experimentally, it was possible to use fiber ring interferometers to measure the extinction coefficients of optical fiber polarizers. The largest extinction coefficients found for optical-fiber polarizers were 84 dB (for the wavelength 0.82 μm) and 86 dB (1.3 μm).

  10. Asymmetry in Object Substitution Masking Occurs Relative to the Direction of Spatial Attention Shift

    ERIC Educational Resources Information Center

    Hirose, Nobuyuki; Osaka, Naoyuki

    2010-01-01

    A sparse mask that persists beyond the duration of a target can reduce its visibility, a phenomenon called "object substitution masking". Y. Jiang and M. M. Chun (2001a) found an asymmetric pattern of substitution masking such that a mask on the peripheral side of the target caused stronger substitution masking than on the central side.…

  11. Synthesizing a Trefoil Knotted Block Copolymer via Ring-Expansion Strategy

    DOE PAGES

    Cao, Pengfei; Rong, Li-Han; Mangadlao, Joey; ...

    2017-02-07

    We synthesized a synthetic trefoil knotted poly(e-caprolatone) block-poly(L-lactide) (TK-PLA-b-PCL) via a ring expansion strategy from a trefoil knotted tin (Sn) initiator. Ring closing reaction between the bis-copper(I) templated phenanthro line complex and dibutyldimethoxytin results in a templated trefoil knotted initiator. Furthermore, the bis-copper(I) templated trefoil knotted poly(L-lactide) (TK-PLA) can be synthesized by ring-opening polymerization of L-lactide monomer, and decomplexation reaction of the templated TK-PLA will result in a geniune TK-PLA without constraint from the copper template. Subsequent insertion of e caprolactone in the bis-copper(I) templated TK-PLA forms the templated trefoil knotted block copolymer, i.e., TK-PLA-b-PCL, and the copper-free TK-PLA-b-PCL canmore » be obtained by decomplexation reaction. Finally, both TK-PLA and TK-PLA-b-PCL are analyzed by the 1 H NMR, FT-IR, UV-vis, DLS, and GPC.« less

  12. Genome-wide heterogeneity of nucleotide substitution model fit.

    PubMed

    Arbiza, Leonardo; Patricio, Mateus; Dopazo, Hernán; Posada, David

    2011-01-01

    At a genomic scale, the patterns that have shaped molecular evolution are believed to be largely heterogeneous. Consequently, comparative analyses should use appropriate probabilistic substitution models that capture the main features under which different genomic regions have evolved. While efforts have concentrated in the development and understanding of model selection techniques, no descriptions of overall relative substitution model fit at the genome level have been reported. Here, we provide a characterization of best-fit substitution models across three genomic data sets including coding regions from mammals, vertebrates, and Drosophila (24,000 alignments). According to the Akaike Information Criterion (AIC), 82 of 88 models considered were selected as best-fit models at least in one occasion, although with very different frequencies. Most parameter estimates also varied broadly among genes. Patterns found for vertebrates and Drosophila were quite similar and often more complex than those found in mammals. Phylogenetic trees derived from models in the 95% confidence interval set showed much less variance and were significantly closer to the tree estimated under the best-fit model than trees derived from models outside this interval. Although alternative criteria selected simpler models than the AIC, they suggested similar patterns. All together our results show that at a genomic scale, different gene alignments for the same set of taxa are best explained by a large variety of different substitution models and that model choice has implications on different parameter estimates including the inferred phylogenetic trees. After taking into account the differences related to sample size, our results suggest a noticeable diversity in the underlying evolutionary process. All together, we conclude that the use of model selection techniques is important to obtain consistent phylogenetic estimates from real data at a genomic scale.

  13. OPHIDIAN L-AMINO ACID OXIDASE. THE NATURE OF THE ENZYME-SUBSTRATE COMPLEXES.

    PubMed

    ZELLER, E A; RAMACHANDER, G; FLEISHER, G A; ISHIMARU, T; ZELLER, V

    1965-04-01

    1. To investigate the kinetics of ophidian l-amino acid oxidase, V and K(m) were determined for phenylalanines that were substituted in every ring position with groups of various size and reactivity, and for a few ring-substituted tryptophans and histidines. The venom of one representative from each of three major classes of poisonous snakes, Naja melanoleuca, Vipera russelli and Crotalus adamanteus, served as a source of the ophidian l-amino acid oxidase. Both crude and crystalline enzyme from the venom of C. adamanteus were tested. 2. The introduction of a benzene ring into glycine and alanine caused some increase of V and a very marked depression of K(m). 3. With the exception of fluorine, residues in the ortho position of phenylalanine led to a decrease of V. The rates induced by various substitutions follow the pattern: meta >/= para >/= ortho. Within the halogen series, the effects become more pronounced with increasing atomic number. 4. Ring substitution in heterocyclic amino acids also affected the V values markedly. For methyl-substituted tryptophans the pattern was: 5-methyl >/= 6-methyl >/= 4-methyl. In a few instances ring substitution accounts for a considerable elevation of V, as shown for beta-quinol-4-ylalanine and its 6-methoxy derivative. 5. The kinetic constants appear to be unaffected by relatively high concentrations of the corresponding d-amino acids. 6. A general principle that permits a uniform interpretation of a vast body of information is suggested. It is based on the assumption that most substrates form not only eutopic but also dystopic complexes with the enzyme. The latter, in contrast with the former, do not permit the formation of reaction products. K values for eutopic and dystopic complexes are computed. Similar concepts have been presented to elucidate the action of alpha-chymotrypsin (Hein & Niemann, 1962) and of monoamine oxidase.

  14. Molecular structure and vibrational spectra of three substituted 4-thioflavones by density functional theory and ab initio Hartree-Fock calculations

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Hong; Liu, Xiang-Ru; Zhang, Xian-Zhou

    2011-01-01

    The vibrational frequencies of three substituted 4-thioflavones in the ground state have been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G* and 6-31+G** basis sets. The structural analysis shows that there exists H-bonding in the selected compounds and the hydrogen bond lengths increase with the augment of the conjugate parameters of the substituent group on the benzene ring. A complete vibrational assignment aided by the theoretical harmonic wavenumber analysis was proposed. The theoretical spectrograms for FT-IR spectra of the title compounds have been constructed. In addition, it is noted that the selected compounds show significant activity against Shigella flexniri. Several electronic properties and thermodynamic parameters were also calculated.

  15. Effects of amino acid substitutions in hepatitis B virus surface protein on virion secretion, antigenicity, HBsAg and viral DNA.

    PubMed

    Xiang, Kuan-Hui; Michailidis, Eleftherios; Ding, Hai; Peng, Ya-Qin; Su, Ming-Ze; Li, Yao; Liu, Xue-En; Dao Thi, Viet Loan; Wu, Xian-Fang; Schneider, William M; Rice, Charles M; Zhuang, Hui; Li, Tong

    2017-02-01

    As important virological markers, serum hepatitis B surface antigen (HBsAg) and hepatitis B virus (HBV) DNA levels show large fluctuations among chronic hepatitis B patients. The aim of this study was to reveal the potential impact and mechanisms of amino acid substitutions in small hepatitis B surface proteins (SHBs) on serum HBsAg and HBV DNA levels. Serum samples from 230 untreated chronic hepatitis B patients with genotype C HBV were analyzed in terms of HBV DNA levels, serological markers of HBV infection and SHBs sequences. In vitro functional analysis of the identified SHBs mutants was performed. Among 230 SHBs sequences, there were 39 (16.96%) sequences with no mutation detected (wild-type) and 191 (83.04%) with single or multiple mutations. SHBs consist of 226 amino acids, of which 104 (46.02%) had mutations in our study. Some mutations (e.g., sE2G, sL21S, sR24K, sT47A/K, sC69stop (sC69∗), sL95W, sL98V, and sG145R) negatively correlated with serum HBsAg levels. HBsAg and HBV DNA levels from this group of patients had a positive correlation (r=0.61, p<0.001). In vitro analysis showed that these mutations reduced extracellular HBsAg and HBV DNA levels by restricting virion secretion and antibody binding capacity. Virion secretion could be rescued for sE2G, sC69∗, and sG145R by co-expression of wild-type HBsAg. The serum HBsAg levels were lower in untreated CHB patients with novel SHBs mutations outside the major antigenic region than those without mutations. Underlying mechanisms include impairment of virion secretion and lower binding affinity to antibodies used for HBsAg measurements. The hepatitis B surface antigen (HBsAg) is a major viral protein of the hepatitis B virus (HBV) secreted into patient blood serum and its quantification value serves as an important marker for the evaluation of chronic HBV infection and antiviral response. We found a few new amino acid substitutions in HBsAg associated with lower serum HBsAg and HBV DNA levels. These

  16. 40 CFR Appendix A to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Substitute Decision Comments Electronics cleaning w/CFC-113, MCF Perfluoro-carbons (C5F12, C6F12, C6F14... date); as of January 1, 1996, for uses in existing equipment. Electronics cleaning w/CFC-113 HCFC 141b... listings for CFC-113 past the effective date of the prohibition. Electronics cleaning w/MCF HCFC 141b and...

  17. Synthesis and Late-Stage Functionalization of Complex Molecules through C–H Fluorination and Nucleophilic Aromatic Substitution

    PubMed Central

    2015-01-01

    We report the late-stage functionalization of multisubstituted pyridines and diazines at the position α to nitrogen. By this process, a series of functional groups and substituents bound to the ring through nitrogen, oxygen, sulfur, or carbon are installed. This functionalization is accomplished by a combination of fluorination and nucleophilic aromatic substitution of the installed fluoride. A diverse array of functionalities can be installed because of the mild reaction conditions revealed for nucleophilic aromatic substitutions (SNAr) of the 2-fluoroheteroarenes. An evaluation of the rates for substitution versus the rates for competitive processes provides a framework for planning this functionalization sequence. This process is illustrated by the modification of a series of medicinally important compounds, as well as the increase in efficiency of synthesis of several existing pharmaceuticals. PMID:24918484

  18. A granular flow model for dense planetary rings

    NASA Technical Reports Server (NTRS)

    Borderies, N.; Goldreich, P.; Tremaine, S.

    1985-01-01

    In the present study of the viscosity of a differentially rotating particle disk, in the limiting case where the particles are densely packed and their collective behavior resembles that of a liquid, the pressure tensor is derived from both the equations of hydrodynamics and a simple kinetic model of collisions due to Haff (1983). Density waves and narrow circular rings are unstable if the liquid approximation applies, and the consequent nonlinear perturbations may generate 'splashing' of the ring material in the vertical direction. These results are pertinent to the origin of the ellipticities of ringlets, the nonaxisymmetric features near the outer edge of the Saturn B ring, and unexplained residuals in kinematic models of the Saturn and Uranus rings.

  19. Preparation and DNA-binding properties of substituted triostin antibiotics.

    PubMed

    Cornish, A; Fox, K R; Waring, M J

    1983-02-01

    Novel derivatives of the triostin group of antibiotics were prepared by supplementing cultures of the producing organism Streptomyces triostinicus with a variety of aromatic carboxylic acids. Five new antibiotics, each having both the natural quinoxaline chromophores replaced by a substituted ring system, were purified to homogeneity and characterized by high-pressure liquid chromatography and nuclear magnetic resonance. Their antibacterial activities and DNA-binding properties were investigated. Addition of a halogen atom at position 6 of the quinoxaline ring or an amino group at position 3 had little effect on either the biological activity or the DNA-binding characteristics. The bis-3-amino derivative is fluorescent, and its fluorescence is strongly quenched by calf thymus DNA and polydeoxyguanylate-polydeoxycytidylate but not by polydeoxyadenylate-polydeoxythymidylate, suggesting that it binds preferentially to guanosine-cytosine-rich sequences in natural DNA. Binding constants for the bis-6-chloro and bis-3-amino derivatives do not differ greatly from those of unsubstituted triostin A. The analogs having two quinoline chromophores or a chlorine atom in position 7 of the quinoxaline ring display little or no detectable antibacterial activity, in marked contrast to the other congeners. Bis-7-chloro-triostin A binds conspicuously more tightly to polydeoxyadenylate-polydeoxythymidylate than to any other polynucleotide tested.

  20. Expanding diversity at the HLA-B locus: 28 novel HLA-B alleles.

    PubMed

    Lazaro, A M; Xiao, Y; Cao, K; Masaberg, C; Nichol, L; Ng, J; Hurley, C K; Posch, P E

    2008-05-01

    Twenty-eight novel human leukocyte antigen-B alleles are described: one B*07 (*0745), two B*08 (*0826 and *0831), one B*27 (*2731), four B*35 (*350106, *350402, *3566, and *3568), two B*37 (*370102 and *3711), two B*38 (*380102 and *3813), two B*39 (*3935 and *3939), one B*41 (*4108), one B*42 (*4209), two B*44 (*4444 and *4448), two B*48 (*480302 and *4815), one B*51 (*5140), one B*55 (*5523), one B*56 (*5617), two B*57 (*570103 and *5710), and three B*15 (*9505, *9510, and *9519). Sixteen of the variants are single-nucleotide substitutions from their most homologous allele, of which 10 result in amino acid changes (B*0745, *0831, *3813, *3935, *3939, *4815, *9505, *9509, *9510, and *9519) and 6 are silent substitutions. The remaining alleles (B*0826, *2731, *3566, *3568, *3711, *4108, *4209, *4444, *4448, *5140, *5523, *5617, and *5710) differ from their most similar alleles by two to seven nucleotides substitutions, altering from one to five amino acids.

  1. Trapped particle absorption by the Ring of Jupiter

    NASA Technical Reports Server (NTRS)

    Fillius, W.

    1983-01-01

    The interaction of trapped radiation with the ring of Jupiter is investigated. Because it is an identical problem, the rings of Saturn and Uranus are also examined. Data from the Pioneer II encounter, deductions for some of the properties of the rings of Jupiter and Saturn. Over a dozen Jupiter magnetic field models are available in a program that integrates the adiabatic invariants to compute B and L. This program is to label our UCSD Pioneer II encounter data with the most satisfactory of these models. The expected effects of absorbing material on the trapped radiation are studied to obtain the loss rate as a function of ring properties. Analysis of the particle diffusion problem rounds out the theoretical end of the ring absorption problem. Other projects include identification of decay products for energetic particle albedo off the rings and moons of Saturn and a search for flux transfer events at the Jovian magnetopause.

  2. Functionalization of Carbon Nanotubes via Electrophilic Substitution Reaction in Polyphosphoric Acid

    DTIC Science & Technology

    2006-07-26

    1 Title of proposed research: Functionalization of Carbon Nanotubes via Electrophilic Substitution Reaction in Polyphosphoric Acid Proposer: Jong...Choi, J.-Y.; Tan, L.-S.; Baek, J.-B. “Functionalization of carbon nanotubes via electrophilic substitution reaction in polyphosphoric acid” AFOSR...2006 4. TITLE AND SUBTITLE Functionalization of carbon nanotubes via electrophilic substitution reaction in polyphosphoric acid 5a. CONTRACT

  3. The Ndc80 complex bridges two Dam1 complex rings

    PubMed Central

    Kim, Jae ook; Zelter, Alex; Umbreit, Neil T; Bollozos, Athena; Riffle, Michael; Johnson, Richard; MacCoss, Michael J; Asbury, Charles L; Davis, Trisha N

    2017-01-01

    Strong kinetochore-microtubule attachments are essential for faithful segregation of sister chromatids during mitosis. The Dam1 and Ndc80 complexes are the main microtubule binding components of the Saccharomyces cerevisiae kinetochore. Cooperation between these two complexes enhances kinetochore-microtubule coupling and is regulated by Aurora B kinase. We show that the Ndc80 complex can simultaneously bind and bridge across two Dam1 complex rings through a tripartite interaction, each component of which is regulated by Aurora B kinase. Mutations in any one of the Ndc80p interaction regions abrogates the Ndc80 complex’s ability to bind two Dam1 rings in vitro, and results in kinetochore biorientation and microtubule attachment defects in vivo. We also show that an extra-long Ndc80 complex, engineered to space the two Dam1 rings further apart, does not support growth. Taken together, our work suggests that each kinetochore in vivo contains two Dam1 rings and that proper spacing between the rings is vital. DOI: http://dx.doi.org/10.7554/eLife.21069.001 PMID:28191870

  4. (13)C NMR substituent-induced chemical shifts in 4-(substituted phenyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-ones (thiones).

    PubMed

    Kara, Yesim Saniye

    2015-01-01

    In the present, study mostly novel ten 4-(substituted phenyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-ones and ten 4-(substituted phenyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-thiones were synthesized. These oxadiazole derivatives were characterized by IR, (1)H NMR, (13)C NMR and elemental analyses. Their (13)C NMR spectra were measured in Deuterochloroform (CDCl3). The correlation analysis for the substituent-induced chemical shift (SCS) with Hammett substituent constants (σ), Brown Okamoto substituent constants (σ(+), σ(-)), inductive substituent constants (σI) and different of resonance substituent constants (σR, σR(o)) were performed using SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods, as well as single and multiple regression analysis. Negative ρ values were found for all correlations (reverse substituent effect). The results of all statistical analyses, (13)C NMR chemical shift of CN, CO and CS carbon of oxadiazole rings have shown satisfactory correlation. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Pseudo-single-bunch mode for a 100 MHz storage ring serving soft X-ray timing experiments

    NASA Astrophysics Data System (ADS)

    Olsson, T.; Leemann, S. C.; Georgiev, G.; Paraskaki, G.

    2018-06-01

    At many storage rings for synchrotron light production there is demand for serving both high-flux and timing users simultaneously. Today this is most commonly achieved by operating inhomogeneous fill patterns, but this is not preferable for rings that employ passive harmonic cavities to damp instabilities and increase Touschek lifetime. For these rings, inhomogeneous fill patterns could severely reduce the effect of the harmonic cavities. It is therefore of interest to develop methods to serve high-flux and timing users simultaneously without requiring gaps in the fill pattern. One such method is pseudo-single-bunch (PSB), where one bunch in the bunch train is kicked onto another orbit by a fast stripline kicker. The light emitted from the kicked bunch can then be separated by an aperture in the beamline. Due to recent developments in fast kicker design, PSB operation in multibunch mode is within reach for rings that operate with a 100 MHz RF system, such as the MAX IV and Solaris storage rings. This paper describes machine requirements and resulting performance for such a mode at the MAX IV 1.5 GeV storage ring. A solution for serving all beamlines is discussed as well as the consequences of beamline design and operation in the soft X-ray energy range.

  6. A novel dihydropyridine with 3-aryl meta-hydroxyl substitution blocks L-type calcium channels in rat cardiomyocytes.

    PubMed

    Galvis-Pareja, David; Zapata-Torres, Gerald; Hidalgo, Jorge; Ayala, Pedro; Pedrozo, Zully; Ibarra, Cristián; Diaz-Araya, Guillermo; Hall, Andrew R; Vicencio, Jose Miguel; Nuñez-Vergara, Luis; Lavandero, Sergio

    2014-08-15

    Dihydropyridines are widely used for the treatment of several cardiac diseases due to their blocking activity on L-type Ca(2+) channels and their renowned antioxidant properties. We synthesized six novel dihydropyridine molecules and performed docking studies on the binding site of the L-type Ca(2+) channel. We used biochemical techniques on isolated adult rat cardiomyocytes to assess the efficacy of these molecules on their Ca(2+) channel-blocking activity and antioxidant properties. The Ca(2+) channel-blocking activity was evaluated by confocal microscopy on fluo-3AM loaded cardiomyocytes, as well as using patch clamp experiments. Antioxidant properties were evaluated by flow cytometry using the ROS sensitive dye 1,2,3 DHR. Our docking studies show that a novel compound with 3-OH substitution inserts into the active binding site of the L-type Ca(2+) channel previously described for nitrendipine. In biochemical assays, the novel meta-OH group in the aryl in C4 showed a high blocking effect on L-type Ca(2+) channel as opposed to para-substituted compounds. In the tests we performed, none of the molecules showed antioxidant properties. Only substitutions in C2, C3 and C5 of the aryl ring render dihydropyridine compounds with the capacity of blocking LTCC. Based on our docking studies, we postulate that the antioxidant activity requires a larger group than the meta-OH substitution in C2, C3 or C5 of the dihydropyridine ring. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. Geology, structure, and statistics of multi-ring basins on Mars

    NASA Technical Reports Server (NTRS)

    Schultz, Richard A.; Frey, Herbert V.

    1990-01-01

    Available data on Martian multi-ring basins were compiled and evaluated using the new 1:15 million scale geologic maps of Mars and global topography was revised as base maps. Published center coordinates and ring diameters of Martian basins were plotted by computer and superimposed onto the base maps. In many cases basin centers or ring diameters or both had to be adjusted to achieve a better fit to the revised maps. It was also found that additional basins can explain subcircular topographic lows as well as map patterns of old Noachian materials, volcanic plains units, and channels in the Tharsis region.

  8. Porous silicon ring resonator for compact, high sensitivity biosensing applications

    DOE PAGES

    Rodriguez, Gilberto A.; Hu, Shuren; Weiss, Sharon M.

    2015-01-01

    A ring resonator is patterned on a porous silicon slab waveguide to produce a compact, high quality factor biosensor with a large internal surface area available for enhanced recognition of biological and chemical molecules. The porous nature of the ring resonator allows molecules to directly interact with the guided mode. Quality factors near 10,000 were measured for porous silicon ring resonators with a radius of 25 μm. A bulk detection sensitivity of 380 nm/RIU was measured upon exposure to salt water solutions. Specific detection of nucleic acid molecules was demonstrated with a surface detection sensitivity of 4 pm/nM.

  9. Vibrational collapse of boroxol rings in compacted B2O3 glasses: a study of Raman scattering and low temperature specific heat

    NASA Astrophysics Data System (ADS)

    Carini, Giovanni, Jr.; Carini, Giuseppe; D’Angelo, Giovanna; Federico, Mauro; Romano, Valentino

    2018-05-01

    Low and high frequency Raman scattering of B2O3 glasses, compacted under GPa pressures, has been performed to investigate structural changes due to increasing atomic packing. Compacted glasses, annealed at ambient temperature and pressure, experience a time-dependent decrease of the density to a smaller constant value over a period of few months, displaying a permanent plastic deformation. Increasing densification determines a parallel and progressive decrease of the intensity of the Boson peak and the main band at 808 cm‑1, both these modes arising from localized vibrations involving planar boroxol rings (B3O6), the glassy units formed from three basic BO3 triangles. The 808 cm‑1 mode preserves its frequency, while the BP evidences a well-defined frequency increase. The high-frequency multicomponent band between 1200 and 1600 cm‑1 also changes with increasing densification, disclosing a decreasing intensity of the 1260 cm‑1 mode due to oxygen vibrations of BO3 units bridging boroxol rings. This indicates the gradual vibrational collapse of groups formed from rings connected by more complex links than a single bridging oxygen. The observed behaviours suggest that glass compaction causes severe deformation of boroxol rings, determining a decrease of groups which preserve unaltered their vibrational activity. Growing glass densification stiffens the network and leads to a decrease of the excess heat capacity over the Debye prediction below 20 K, which is not accounted for by the hardening of the elastic continuum. By using the low-frequency Raman scattering to determine the temperature dependence of the heat capacity, it has been evaluated the density of low-frequency vibrational states which discloses a significant reduction of excess modes with increasing density.

  10. Modeling Saturnshine in Cassini Images of the Rings

    NASA Astrophysics Data System (ADS)

    Dones, Henry C.; Weiss, J. W.; Porco, C. C.; DiNino, D.; Skinner, R.

    2013-10-01

    In some viewing geometries, such as large solar phase angles or small solar elevation angles, the light reflected by or transmitted through Saturn's rings can be dominated by Saturnshine, i.e., illumination of the rings by the planet. Saturnshine results in longitudinal variations in the reflectivity of the rings. In addition, Saturn's A Ring and, to a lesser extent, B Ring, show intrinsic longitudinal variations ("azimuthal asymmetry") due to self-gravity wakes. Any attempt to infer physical properties of ring particles and their spatial distribution using ring photometry must consider both Saturnshine and self-gravity wakes. "Ringshine," in turn, complicates photometry of Saturn itself [1]. We have improved the Saturnshine model in [2], which applies a ray-tracing code to N-body simulations of a patch of Saturn's rings, by incorporating measurements of the planet's reflectivity in Cassini images taken in a range of viewing geometries through a number of broadband filters. We will compare the results of our photometric model with measurements of the I/F of the main rings, and will attempt to constrain the intrinsic properties of ring particles, such as their coefficients of restitution in collisions and internal densities. We thank the Cassini project for support. [1] Skinner, R.W., and Weiss, J.W. (2011). http://serc.carleton.edu/cismi/undergrad_research/posters/52679.html [2] Porco, C.C., et al. (2008). Astron J. 136, 2172-2200

  11. Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns

    PubMed Central

    Jiang, Bo; Li, Ying; Tu, Man-Su; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen

    2012-01-01

    New three-component domino reaction providing divergent approaches to multi-functionalized fused pyrroles with different substituted patterns have been established (40 examples). The direct C(sp3)–N bond formation was achieved through intermolecular allylic amination in a one-pot operation; and N-arylation of amines was realized by varying N-amino acid enaminones. The reaction is easy to perform simply by mixing three common reactants in acetic acid under microwave heating. The reaction proceeds at fast rates and can be finished within 30 min, which makes workup convenient to give good chemical yields. PMID:22852549

  12. Growth Ring Formation in the Starch Granules of Potato Tubers1

    PubMed Central

    Pilling, Emma; Smith, Alison M.

    2003-01-01

    Starch granules from higher plants contain alternating zones of semicrystalline and amorphous material known as growth rings. The regulation of growth ring formation is not understood. We provide several independent lines of evidence that growth ring formation in the starch granules of potato (Solanum tuberosum) tubers is not under diurnal control. Ring formation is not abolished by growth in constant conditions, and ring periodicity and appearance are relatively unaffected by a change from a 24-h to a 40-h photoperiod, and by alterations in substrate supply to the tuber that are known to affect the diurnal pattern of tuber starch synthesis. Some, but not all, of the features of ring formation are consistent with the involvement of a circadian rhythm. Such a rhythm might operate by changing the relative activities of starch-synthesizing enzymes: Growth ring formation is disrupted in tubers with reduced activity of a major isoform of starch synthase. We suggest that physical as well as biological mechanisms may contribute to the control of ring formation, and that a complex interplay of several factors may by involved. PMID:12746541

  13. Compositional Evolution of Saturn's Ring: Ice, Tholin, and 'CHIRON'-Dust

    NASA Technical Reports Server (NTRS)

    Cuzzi, Jeffrey N.; Estrada, P. R.; DeVincenzi, Donald L. (Technical Monitor)

    1996-01-01

    We address compositional evolution in planetary ring systems subsequent to meteoroid bombardment. The huge surface area to mass ratio of planetary rings ensures the importance of this process, given currently expected values of meteoroid flux. We developed a model which includes both direct deposition of extrinsic meteoritic 'pollutants', and ballistic transport of the increasingly polluted ring material as impact ejecta. Certain aspects of the observed regional variations in ring color and albedo can be understood in terms of such a process. We conclude that the regional scale color and albedo differences between the C ring and B ring can be understood if all ring material began with the same composition (primarily water ice, based on other data, but colored by tiny amounts of non-icy, reddish absorber) and then evolved entirely by addition and mixing of extrinsic, neutrally colored, highly absorbing material. This conclusion is readily extended to the Cassini Division and its surroundings as well. Typical silicates are unable to satisfy the ring color, spectroscopic, and microwave absorption constraints either as intrinsic or extrinsic non-icy constituents. However, 'Titan Tholin' provides a satisfactory match for the inferred refractive indices of the 'pre-pollution' nonicy ring material. The extrinsic bombarding material is compatible with the properties of Halley or Chiron, but not with the properties of other 'red' primitive objects such as Pholus. We further demonstrate that the detailed radial profile of color across the abrupt B ring - C ring boundary is quite compatible with such a 'pollution transport' process, and that the shape of the profile can constrain key parameters in the model. We use the model to estimate the 'exposure age' of Saturn's rings to extrinsic meteoroid flux. We obtain a geologically young 'age' which is compatible with timescales estimated independently based on the evolution of ring structure due to ballistic transport, and also

  14. New observations and a photographic atlas of polar-ring galaxies

    NASA Technical Reports Server (NTRS)

    Whitmore, Bradley C.; Lucas, Ray A.; Mcelroy, Douglas B.; Steiman-Cameron, Thomas Y.; Sackett, Penny D.

    1990-01-01

    A photographic atlas of polar-ring galaxies and related objects is presented. The atlas includes kinematically confirmed polar-ring galaxies (category A), good candidates based on their morphological appearance (category B), possible candidates (category C), and possibly related objects (category D). New photometric and kinematic observations are reported for several galaxies in the catalog, including observations that show that UGC 7576 and UGC 9796 ( = II ZW 73) are S0 galaxies with polar rings. Roughly 0.5 percent of all nearby S0 galaxies appear to have polar rings. When corrected for various selection effects (e.g., nonoptimal viewing orientation, possible dimming, or limited lifetime of the ring) the percentage increases to about 5 percent of S0 galaxies which have, or have had a polar ring.

  15. Photophysical properties of a novel axially substituted tetra-α-(pentyloxy) Titanium(IV) Phthalocyanine - Hematoxylin

    NASA Astrophysics Data System (ADS)

    Jiang, Yufeng; Lv, Huafei; Yu, Xinxin; Pan, Sujuan; Zhang, Tiantian; Huang, Yide; Wang, Yuhua; Xie, Shusen; Yang, Hongqin; Peng, Yiru

    2017-06-01

    Metal phthalocyanines (MPcs) are a very important class of widespread application compounds. They are not only used as dyes but also used as catalysts, data storage, electron charge carriers in photocopiers, photoconductors in chemical sensors, and photo-antenna devices in photosysthesis, photovoltaic cells. A particular application of Pcs is that it was used as a photosensitizers (PS) for treatment of certain cancer by photodynamic therapy of cancer and non-cancer diseases. However, the molecular aggregation of phthalocyanines, which is an intrinsic property of these large π-π conjugated systems, provides an efficient non-radioactive energy relaxation pathway, thereby shortening the excited state lifetimes, and reducing the photosensitizing and target efficiency. To overcome these problems, the introduction of axial ligands to phthalocyanine can prevent the formation of aggregation to some extend. In this paper, hematoxylin axially substituted tetra-α-(pentoxy) titanium (IV) phthalocyanine (TiPc(OC5H11)4-Hematoxylin) were characterized by elemental analysis, IR, 1H NMR, UV-Vis, fluorescence spectra. No obviously Q band change was observed after the hematoxylin was substituted at the peripheral position of substituted phthalocyanine ring. Because of the rigidity structure of the hematoxylin, the fluorescence intensity of hematoxylin peripheral substituted phthalocyanine decreased compared with free substituted phthalocyanines. The fluorescence lifetimes of axially substituted phthalocyanine was fitted to be 3.613 ns. This compound may be considered as a promising photosensitizer for PDT.

  16. QSAR and molecular modelling studies on B-DNA recognition of minor groove binders.

    PubMed

    de Oliveira, André Mauricio; Custódio, Flávia Beatriz; Donnici, Cláudio Luis; Montanari, Carlos Alberto

    2003-02-01

    Aromatic bisamidines have been proved to be efficient compounds against Leishmania spp. and Pneumocystis carinii. Although the mode of action is still not known, these molecules are supposed to be DNA minor groove binders (MGBs). This paper describes a molecular modelling study for a set of MGBs in order to rank them through their complementarity to the Dickerson Drew Dodecamer (DDD) according to their interaction energies with B-DNA. A comparative molecular field analysis (CoMFA) has shown the importance of relatively bulky positively charged groups attached to the MGB aromatic rings, and small and negatively charged substituents into the middle chain. Models were obtained for DNA denaturation related to H-bonding processes of binding modes. Validation of the model demonstrated the robustness of CoMFA in terms of independent test set of similar MGBs. GRID results allotted bioisosteric substitution of z.sbnd;Oz.sbnd; by z.sbnd;NHz.sbnd; in furan ring of furamidine and related compounds as being capable to enhance the binding to DDD.

  17. Inferring Spatio-temporal Variations in the Risk of Extreme Precipitation in the Western United States from Tree-ring Chronologies

    NASA Astrophysics Data System (ADS)

    Steinschneider, S.; Ho, M.; Cook, E. R.; Lall, U.

    2016-12-01

    This work explores how extreme cold-season precipitation dynamics along the west coast of the United States have varied in the past under natural climate variability through an analysis of the moisture anomalies recorded by tree-ring chronologies across the coast and interior of the western U.S. Winters with high total precipitation amounts in the coastal regions are marked by a small number of extreme storms that exhibit distinct spatial patterns of precipitation across the coast and further inland. Building from this observation, this work develops a novel application of dendroclimatic evidence to explore the following questions: a) how is extreme precipitation variability expressed in a network of tree-ring chronologies; b) can this information provide insight on the space-time variability of storm tracks that cause these extreme events; and c) how can the joint variability of extreme precipitation and storm tracks be modeled to develop consistent, multi-centennial reconstructions of both? We use gridded, tree-ring based reconstructions of the summer Palmer Drought Severity Index (PDSI) extending back 500 years within the western U.S. to build and test a novel statistical framework for reconstructing the space-time variability of coastal extreme precipitation and the associated wintertime storm tracks. Within this framework, we (1) identify joint modes of variability of extreme precipitation fields and tree-ring based PDSI reconstructions; (2) relate these modes to previously identified, unique storm track patterns associated with atmospheric rivers (ARs), which are the dominant type of storm that is responsible for extreme precipitation in the region; and (3) determine latitudinal variations of landfalling ARs across the west coast and their relationship to the these joint modes. To our knowledge, this work is the first attempt to leverage information on storm track patterns stored in a network of paleoclimate proxies to improve reconstruction fidelity.

  18. Inferring Spatio-temporal Variations in the Risk of Extreme Precipitation in the Western United States from Tree-ring Chronologies

    NASA Astrophysics Data System (ADS)

    Steinschneider, S.; Ho, M.; Cook, E. R.; Lall, U.

    2017-12-01

    This work explores how extreme cold-season precipitation dynamics along the west coast of the United States have varied in the past under natural climate variability through an analysis of the moisture anomalies recorded by tree-ring chronologies across the coast and interior of the western U.S. Winters with high total precipitation amounts in the coastal regions are marked by a small number of extreme storms that exhibit distinct spatial patterns of precipitation across the coast and further inland. Building from this observation, this work develops a novel application of dendroclimatic evidence to explore the following questions: a) how is extreme precipitation variability expressed in a network of tree-ring chronologies; b) can this information provide insight on the space-time variability of storm tracks that cause these extreme events; and c) how can the joint variability of extreme precipitation and storm tracks be modeled to develop consistent, multi-centennial reconstructions of both? We use gridded, tree-ring based reconstructions of the summer Palmer Drought Severity Index (PDSI) extending back 500 years within the western U.S. to build and test a novel statistical framework for reconstructing the space-time variability of coastal extreme precipitation and the associated wintertime storm tracks. Within this framework, we (1) identify joint modes of variability of extreme precipitation fields and tree-ring based PDSI reconstructions; (2) relate these modes to previously identified, unique storm track patterns associated with atmospheric rivers (ARs), which are the dominant type of storm that is responsible for extreme precipitation in the region; and (3) determine latitudinal variations of landfalling ARs across the west coast and their relationship to the these joint modes. To our knowledge, this work is the first attempt to leverage information on storm track patterns stored in a network of paleoclimate proxies to improve reconstruction fidelity.

  19. Low Optical Depth Features in Saturn's Rings: The Occultation of GSC5249-01240 by Saturn and Its Rings

    NASA Astrophysics Data System (ADS)

    Bosh, A. S.; Olkin, C. B.

    1996-06-01

    On 21 November 1995, Saturn and its rings occulted the star GSC5249-01240 (Bosh & McDonald 1992, Astron. J. 103, 983). Although the star is relatively faint (V = 11.9), other circumstances conspired to make this an excellent event: (i) the normally-bright rings were dark because the sun was crossing through the ring plane, reducing the amount of ring contribution to the background noise and therefore increasing the observed S/N, (ii) the ring opening angle was small (B ~ 3deg ), enhancing detection of low-optical-depth material, and (iii) the low sky-plane velocity allowed longer integration times without loss of spatial resolution. Thus this occultation was particularly well-suited to produce high S/N detections of low-tau ring material. We observed this atmosphere and ring occultation with the Faint Object Spectrograph (FOS) on the Hubble Space Telescope. Using the FOS in its high-speed mode, we sampled the starlight with the G650L grating, recording the stellar signal as a function of both wavelength and time. For the initial analysis of these data, the spectral information was sacrificed by binning all wavelengths together; this in turn increased the detected S/N. We performed a geometric solution for the event, using the known locations of circular ring features as fiducials (Elliot et al., Astron. J. 106, 2544). The scattered light from Saturn and the rings was modelled and subtracted from the light curves to obtain line-of-sight optical depth as a function of ring-plane radius. With these processed data we have made the first occultation detection of Saturn's innermost and very tenuous D ring. We find a line-of-sight optical depth for the thickest part of this ring of tau_ {obs} ~ 0.02. The location and morphology of this feature will be discussed. Comparison of the observed structure will be made with the previous Voyager imaging detection of this ring (Smith et al. 1981, Science 212, 163; Marley & Porco 1993, Icarus 106, 508).

  20. A novel dihydropyridine with 3-aryl meta-hydroxyl substitution blocks L-type calcium channels in rat cardiomyocytes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Galvis-Pareja, David; Centro Estudios Moleculares de la Célula; Zapata-Torres, Gerald

    2014-08-15

    Rationale: Dihydropyridines are widely used for the treatment of several cardiac diseases due to their blocking activity on L-type Ca{sup 2+} channels and their renowned antioxidant properties. Methods: We synthesized six novel dihydropyridine molecules and performed docking studies on the binding site of the L-type Ca{sup 2+} channel. We used biochemical techniques on isolated adult rat cardiomyocytes to assess the efficacy of these molecules on their Ca{sup 2+} channel-blocking activity and antioxidant properties. The Ca{sup 2+} channel-blocking activity was evaluated by confocal microscopy on fluo-3AM loaded cardiomyocytes, as well as using patch clamp experiments. Antioxidant properties were evaluated by flowmore » cytometry using the ROS sensitive dye 1,2,3 DHR. Results: Our docking studies show that a novel compound with 3-OH substitution inserts into the active binding site of the L-type Ca{sup 2+} channel previously described for nitrendipine. In biochemical assays, the novel meta-OH group in the aryl in C4 showed a high blocking effect on L-type Ca{sup 2+} channel as opposed to para-substituted compounds. In the tests we performed, none of the molecules showed antioxidant properties. Conclusions: Only substitutions in C2, C3 and C5 of the aryl ring render dihydropyridine compounds with the capacity of blocking LTCC. Based on our docking studies, we postulate that the antioxidant activity requires a larger group than the meta-OH substitution in C2, C3 or C5 of the dihydropyridine ring. - Highlights: • Dihydropyridine (DHP) molecules are widely used in cardiovascular disease. • DHPs block Ca{sup 2+} entry through LTCC—some DHPs have antioxidant activity as well. • We synthesized 6 new DHPs and tested their Ca{sup 2+} blocking and antioxidant activities. • 3-Aryl meta-hydroxyl substitution strongly increases their Ca{sup 2+} blocking activity. • 3-Aryl meta-hydroxyl substitution did not affect the antioxidant properties.« less

  1. Tree-ring growth patterns and climatic signals along a vertical transect of larch sites in the Simplon and Rhône Valleys (Switzerland)

    NASA Astrophysics Data System (ADS)

    Riechelmann, Dana F. C.; Esper, Jan

    2017-04-01

    State-of-the-art millennial long temperature reconstructions from the European Alps integrate wood samples of Larix decidua Mill. from the Lötschental and Simplon regions in Switzerland (Büntgen et al., 2005; 2006). Some of the oldest samples that enable the extension of the time-series back into the first millennium AD are obtained from old buildings in Simplon Village, through the precise location of these samples and the elevation of sampling sites remain unknown. We here evaluate the growth characteristics of larch tree-ring width data along a vertical transect in the Simplon and Rhône valleys. 330 trees from nine sites in 985, 1100, 1400, 1575, 1710, 1712, 1900, 2020, and 2150 m asl have been sampled and analysed for their climate signals. The results indicate a stronger temperature signal in the tree-ring width with increasing elevation. The lower the sites the more a drought signal is imprinted in the ring width data. The intermediate site at 1400 m asl does not show any pronounced climate signal. A comparison of growth patterns of living-tree sites with samples from the historical buildings in Simplon Village (Riechelmann et al., 2013) indicates the construction timber to origin from intermediate to higher elevations. We therefore do not expect strong temperature signal from these timbers. References: Büntgen, U., Esper, J., Frank, D.C., Nicolussi, K., Schmidhalter, M., 2005. A 1052-year tree-ring proxy for Alpine summer temperatures. Climate Dynamics 25: 141-153. Büntgen, U., Frank, D.C., Nievergelt, D., Esper J., 2006. Summer temperature variations in the European Alps, A.D. 755-2004. Journal of Climate 19: 5606-5623. Riechelmann, D.F.C., Schmidhalter, M., Büntgen, U., Esper, J., 2013. Extending a high-elevation larch ring width chronology from the Simplon region in the Swiss Alps over the past millenium. TRACE 11:103-108.

  2. Small-Scale Structure in Saturn's Rings

    NASA Astrophysics Data System (ADS)

    Rehnberg, Morgan

    2017-08-01

    The rings of Saturn are the largest and most complex in the Solar System. Decades of observation from ground- and space-based observatories and spacecraft missions have revealed the broad structure of the rings and the intricate interactions between the planet's moons and its rings. Stellar occultations observed by the Ultraviolet Imaging Spectrograph's High Speed Photometer onboard the Cassini spacecraft now enable the direct study of the small-scale structure that results from these interactions. In this dissertation, I present three distinct phenomena resulting from the small-scale physics of the rings. Many resonance locations with Saturn's external satellites lie within the main (A and B) rings. Two of these satellites, Janus and Epimetheus, have a unique co-orbital relationship and move radially to switch positions every 4.0 years. This motion also moves the resonance locations within the rings. As the spiral density waves created at these resonances interact, they launch an enormous solitary wave every eight years. I provide the first-ever observations of this never-predicted phenomenon and detail a possible formation mechanism. Previous studies have reported a population of kilometer-scale aggregates in Saturn's F ring, which likely form as a result of self-gravitation between ring particles in Saturn's Roche zone. I expand the known catalog of features in UVIS occultations and provide the first estimates of their density derived from comparisons with the A ring. These features are orders of magnitude less dense than previously believed, a fact which reconciles them with detections made by other means. Theory and indirect observations indicate that the smallest regular structures in the rings are wavelike aggregates called self-gravity wakes. Using the highest-resolution occulta- tions, I provide the first-ever direct detection of these features by identifying the gaps that represent the minima of the wakes. I demonstrate that the distribution of these gaps

  3. Cassini Radio Occultations of Saturn's Rings: Scattered Signal and Particle Sizes

    NASA Astrophysics Data System (ADS)

    Thomson, F.; Wong, K.; Marouf, E.; French, R.; Rappaport, N.; McGhee, C.; Anabtawi, A.; Asmar, S.; Barbinis, E.; Fleischman, D.; Goltz, G.; Johnston, D.; Rochblatt, D.

    2005-08-01

    Eight Cassini radio occultations of Saturn's rings were conducted from May 3 to September 5, 2005. During any given occultation, Cassini transmits Ka-, X-, and S-band sinusoidal signals (0.94, 3.6, and 13 cm-wavelength) through the rings. Spectral analysis of the perturbed signals received at stations of the Deep Space Network (DSN) reveals two distinct signal components. The first is the direct signal, a narrowband component representing the incident sinusoid emerging from the rings reduced in amplitude and changed in phase. The second is the scattered signal, a broadband component, representing near-forward scattering by ring particles. After reconstruction to remove diffraction effects, time history of the direct signal yields profiles of ring structure at resolution approaching ˜50 m. Of primary concern here is the broadband component. For the first time ever, clearly detectable scattered signals were observed at all three (Ka/X/S) bands. A single X/S radio occultation by Voyager 1 in 1980 detected scattered signal at X-band only, primarily because of the small ring opening angle B=5.9o at the time, compared with 19.1 ≤ B ≤ 23.6o for Cassini. Time histories of the observed spectra (spectrograms) and their dependence on wavelength provide important information about physical ring properties, including abundance of meter-size particles, particle crowding, clustering, spatial anisotropy, vertical ring profile and thickness. Cassini occultation orbits were optimized to map scattering by individual ring features into nearly non-overlapping spectral bands, allowing unambiguous identification of the contribution of ring features to the computed spectrograms. We present Ka/X/S spectrograms over the full extent of the ring system and relate their behavior to observed ring structure. The spectrograms imply presence of meters-size particles throughout the ring system. Preliminary results regarding the particle size distribution and vertical ring profile of selected

  4. Nutrient-substituted hydroxyapatites: synthesis and characterization

    NASA Technical Reports Server (NTRS)

    Golden, D. C.; Ming, D. W.

    1999-01-01

    Incorporation of Mg, S, and plant-essential micronutrients into the structure of synthetic hydroxyapatite (HA) may be advantageous for closed-loop systems, such as will be required on Lunar and Martian outposts, because these apatites can be used as slow-release fertilizers. Our objective was to synthesize HA with Ca, P, Mg, S, Fe, Cu, Mn, Zn, Mo, B, and Cl incorporated into the structure, i.e., nutrient-substituted apatites. Hydroxyapatite, carbonate hydroxyapatite (CHA), nutrient-substituted hydroxyapatite (NHA), and nutrient-substituted carbonate hydroxyapatite (NCHA) were synthesized by precipitating from solution. Chemical and mineralogical analysis of precipitated samples indicated a considerable fraction of the added cations were incorporated into HA, without mineral impurities. Particle size of the HA was in the 1 to 40 nm range, and decreased with increased substitution of nutrient elements. The particle shape of HA was elongated in the c-direction in unsubstituted HA and NHA but more spherical in CHA and NCHA. The substitution of cations and anions in the HA structure was confirmed by the decrease of the d[002] spacing of HA with substitution of ions with an ionic radius less than that of Ca or P. The DTPA-extractable Cu ranged from 8 to 8429 mg kg-1, Zn ranged from 57 to 1279 mg kg-1, Fe from 211 to 2573 mg kg-1, and Mn from 190 to 1719 mg kg-1, depending on the substitution level of each element in HA. Nutrient-substituted HA has the potential to be used as a slow-release fertilizer to supply micronutrients, S, and Mg in addition to Ca and P.

  5. Substituting cannabis for prescription drugs, alcohol and other substances among medical cannabis patients: The impact of contextual factors.

    PubMed

    Lucas, Philippe; Walsh, Zach; Crosby, Kim; Callaway, Robert; Belle-Isle, Lynne; Kay, Robert; Capler, Rielle; Holtzman, Susan

    2016-05-01

    Recent years have witnessed increased attention to how cannabis use impacts the use of other psychoactive substances. The present study examines the use of cannabis as a substitute for alcohol, illicit substances and prescription drugs among 473 adults who use cannabis for therapeutic purposes. The Cannabis Access for Medical Purposes Survey is a 414-question cross-sectional survey that was available to Canadian medical cannabis patients online and by hard copy in 2011 and 2012 to gather information on patient demographics, medical conditions and symptoms, patterns of medical cannabis use, cannabis substitution and barriers to access to medical cannabis. Substituting cannabis for one or more of alcohol, illicit drugs or prescription drugs was reported by 87% (n = 410) of respondents, with 80.3% reporting substitution for prescription drugs, 51.7% for alcohol, and 32.6% for illicit substances. Respondents who reported substituting cannabis for prescription drugs were more likely to report difficulty affording sufficient quantities of cannabis, and patients under 40 years of age were more likely to substitute cannabis for all three classes of substance than older patients. The finding that cannabis was substituted for all three classes of substances suggests that the medical use of cannabis may play a harm reduction role in the context of use of these substances, and may have implications for abstinence-based substance use treatment approaches. Further research should seek to differentiate between biomedical substitution for prescription pharmaceuticals and psychoactive drug substitution, and to elucidate the mechanisms behind both. [Lucas P, Walsh Z, Crosby K, Callaway R, Belle-Isle L, Kay B, Capler R, Holtzman S. Substituting cannabis for prescription drugs, alcohol, and other substances among medical cannabis patients: The impact of contextual factors. Drug Alcohol Rev 2016;35:326-333]. © 2015 Australasian Professional Society on Alcohol and other Drugs.

  6. Penicillin-binding protein 1A, 2B, and 2X alterations in Canadian isolates of penicillin-resistant Streptococcus pneumoniae.

    PubMed

    Nichol, Kimberly A; Zhanel, George G; Hoban, Daryl J

    2002-10-01

    Alterations within the penicillin-binding domain of penicillin-binding protein (PBP) genes pbp1a, pbp2b, and pbp2x were determined for 15 Canadian isolates of Streptococcus pneumoniae. All penicillin-nonsusceptible S. pneumoniae isolates showed a variety of PBP 2X substitutions and contained a Thr445-Ala change after the PBP 2B SSN motif. Only isolates for which penicillin MICs were > or =0.5 micro g/ml had PBP 1A alterations near the STMK and SRN motifs. Sequence analysis revealed identical PBP 1A, PBP 2B, and PBP 2X substitution patterns among all isolates for which penicillin MICs were > or =1 micro g/ml.

  7. Penicillin-Binding Protein 1A, 2B, and 2X Alterations in Canadian Isolates of Penicillin-Resistant Streptococcus pneumoniae

    PubMed Central

    Nichol, Kimberly A.; Zhanel, George G.; Hoban, Daryl J.

    2002-01-01

    Alterations within the penicillin-binding domain of penicillin-binding protein (PBP) genes pbp1a, pbp2b, and pbp2x were determined for 15 Canadian isolates of Streptococcus pneumoniae. All penicillin-nonsusceptible S. pneumoniae isolates showed a variety of PBP 2X substitutions and contained a Thr445-Ala change after the PBP 2B SSN motif. Only isolates for which penicillin MICs were ≥0.5 μg/ml had PBP 1A alterations near the STMK and SRN motifs. Sequence analysis revealed identical PBP 1A, PBP 2B, and PBP 2X substitution patterns among all isolates for which penicillin MICs were ≥1 μg/ml. PMID:12234855

  8. Integrally Closed Rings

    NASA Astrophysics Data System (ADS)

    Tuganbaev, A. A.

    1982-04-01

    This paper studies integrally closed rings. It is shown that a semiprime integrally closed Goldie ring is the direct product of a semisimple artinian ring and a finite number of integrally closed invariant domains that are classically integrally closed in their (division) rings of fractions. It is shown also that an integrally closed ring has a classical ring of fractions and is classically integrally closed in it.Next, integrally closed noetherian rings are considered. It is shown that an integrally closed noetherian ring all of whose nonzero prime ideals are maximal is either a quasi-Frobenius ring or a hereditary invariant domain.Finally, those noetherian rings all of whose factor rings are invariant are described, and the connection between integrally closed rings and distributive rings is examined.Bibliography: 13 titles.

  9. Two-dimensional Magnetism in Arrays of Superconducting Rings

    NASA Astrophysics Data System (ADS)

    Reich, Daniel H.

    1996-03-01

    An array of superconducting rings in an applied field corresponding to a flux of Φ0 /2 per ring behaves like a 2D Ising antiferromagnet. Each ring has two energetically equivalent states with equal and opposite magnetic moments due to fluxoid quantization, and the dipolar coupling between rings favors antiparallel alignment of the moments. Using SQUID magnetometry and scanning Hall probe microscopy, we have studied the dynamics and magnetic configurations of micron-size aluminum rings on square, triangular, honeycomb, and kagomé lattices. We have found that there are significant antiferromagnetic correlations between rings, and that effects of geometrical frustration can be observed on the triangular and kagomé lattices. Long range correlations on the other lattices are suppressed by the analog of spin freezing that locks the rings in metastable states at low temperatures, and by quenched disorder due to imperfections in the fabrication. This disorder produces a roughly 1% variation in the rings' areas, which translates into an effective random field on the spins. The ring arrays are thus an extremely good realization of the 2D random-field Ising model. (Performed in collaboration with D. Davidović, S. Kumar, J. Siegel, S. B. Field, R. C. Tiberio, R. Hey, and K. Ploog.) (Supported by NSF grants DMR-9222541, and DMR-9357518, and by the David and Lucile Packard Foundation.)

  10. Mapping Ring Particle Cooling across Saturn's Rings with Cassini CIRS

    NASA Astrophysics Data System (ADS)

    Brooks, Shawn M.; Spilker, L. J.; Edgington, S. G.; Pilorz, S. H.; Deau, E.

    2010-10-01

    Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and quick temperature responses are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid, coherent particles can be expected to have higher thermal inertias (Ferrari et al. 2005). Cassini's Composite Infrared Spectrometer has recorded millions of spectra of Saturn's rings since its arrival at Saturn in 2004 (personal communication, M. Segura). CIRS records far infrared radiation between 10 and 600 cm-1 (16.7 and 1000 µm) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn's rings peaks in this wavelength range. FP1 spectra can be used to infer ring temperatures. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The thermal budget of the rings is dominated by the solar radiation absorbed by its constituent particles. When ring particles enter Saturn's shadow this source of energy is abruptly cut off. As a result, ring particles cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

  11. Retention behavior of alkyl-substituted polycyclic aromatic sulfur heterocycle isomers in gas chromatography on stationary phases of different selectivity.

    PubMed

    Wilson, Walter B; Sander, Lane C; Oña-Ruales, Jorge O; Mössner, Stephanie G; Sidisky, Leonard M; Lee, Milton L; Wise, Stephen A

    2017-02-10

    Retention indices for 10 sets of alkyl-substituted polycyclic aromatic sulfur heterocycles (PASHs) isomers (total of 80 PASHs) were determined using gas chromatography with three different stationary phases: a 50% phenyl phase, a 50% liquid crystalline dimethylpolysiloxane (LC-DMPS) phase, and an ionic liquid (IL) phase. Correlations between the retention behavior on the three stationary phases and PASH geometry [length-to-breadth (L/B) and thickness (T)] were investigated for the following PASHs: 4 methyl-substituted dibenzothiophenes (DBTs), 3 ethyl-substituted DBTs, 15 dimethyl-substituted DBTs, 8 trimethyl-substituted DBTs, 15 methyl-substituted naphthothiophenes, 30 methyl-substituted benzonaphthothiophenes, and 5 methyl-substituted tetrapheno[1,12-bcd]thiophene. Correlation coefficients for retention on the 50% phenyl phase vs L/B ranged from r=-0.28 (MeBbN23Ts) to r=0.92 (EtDBTs). Correlation coefficients for retention on the IL phase vs L/B ranged from r=0.13 (MeN12Ts) to r=0.83 (EtDBTs). Correlation coefficients for retention on the 50% LC-DMPS phase vs L/B ranged from r=0.22 (MeDBTs) to r=0.84 (TriMeDBTs). Published by Elsevier B.V.

  12. Antiproliferative activity of amino substituted benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles explored by 2D and 3D cell culture system.

    PubMed

    Perin, Nataša; Bobanović, Kristina; Zlatar, Ivo; Jelić, Dubravko; Kelava, Vanja; Koštrun, Sanja; Marković, Vesna Gabelica; Brajša, Karmen; Hranjec, Marijana

    2017-01-05

    Benzimidazo[1,2-a]quinolines and benzo[b]thieno[2,3-b]pyrido[1,2-a]benzimidazoles with amino chains on the different positions have been evaluated by 2D and 3D assays on the human breast cancer cells. Pentacyclic derivatives were synthesized by microwave assisted amination to study the influence of the thiophene substructure on antitumor activity in comparison to tetracyclic analogues. The results obtained from 2D assay reveals that the antitumor activity is strongly dependent on the nature and position of amino chains. Tetracyclic derivatives displayed selective activity on SK-BR-3 with the 2-amino substituted derivatives as the most active ones while pentacyclic derivatives 6-16 and 21-25 showed more pronounced activity on T-47D. The evaluation of antitumor activity in the 3D assay pointed out that some of the tetracyclic and pentacyclic amino substituted derivatives showed selective activity on the MDA-MB-231 cell line. Influence of physico-chemical properties of the compounds on antiproliferative activity have been investigated by multivariate statistical methods. As a measure of lipophilicity, experimental Chrom LogD values have been determined and number of structural parameters have been calculated for investigated compounds. Main factors contributing to the antiproliferative effect for both 2D and 3D cell cultures are found to be basicity, lipophilicity, molecular weight and number of H-bond donors. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  13. Mitochondrial genome nucleotide substitution pattern between domesticated silkmoth, Bombyx mori, and its wild ancestors, Chinese Bombyx mandarina and Japanese Bombyx mandarina

    PubMed Central

    2010-01-01

    Bombyx mori and Bombyx mandarina are morphologically and physiologically similar. In this study, we compared the nucleotide variations in the complete mitochondrial (mt) genomes between the domesticated silkmoth, B. mori, and its wild ancestors, Chinese B. mandarina (ChBm) and Japanese B. mandarina (JaBm). The sequence divergence and transition mutation ratio between B. mori and ChBm are significantly smaller than those observed between B. mori and JaBm. The preference of transition by DNA strands between B. mori and ChBm is consistent with that between B. mori and JaBm, however, the regional variation in nucleotide substitution rate shows a different feature. These results suggest that the ChBm mt genome is not undergoing the same evolutionary process as JaBm, providing evidence for selection on mtDNA. Moreover, investigation of the nucleotide sequence divergence in the A+T-rich region of Bombyx mt genomes also provides evidence for the assumption that the A+T-rich region might not be the fastest evolving region of the mtDNA of insects. PMID:21637625

  14. Quantum control of coherent π -electron ring currents in polycyclic aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Mineo, Hirobumi; Fujimura, Yuichi

    2017-12-01

    We present results for quantum optimal control (QOC) of the coherent π electron ring currents in polycyclic aromatic hydrocarbons (PAHs). Since PAHs consist of a number of condensed benzene rings, in principle, there exist various coherent ring patterns. These include the ring current localized to a designated benzene ring, the perimeter ring current that flows along the edge of the PAH, and the middle ring current of PAHs having an odd number of benzene rings such as anthracene. In the present QOC treatment, the best target wavefunction for generation of the ring current through a designated path is determined by a Lagrange multiplier method. The target function is integrated into the ordinary QOC theory. To demonstrate the applicability of the QOC procedure, we took naphthalene and anthracene as the simplest examples of linear PAHs. The mechanisms of ring current generation were clarified by analyzing the temporal evolutions of the electronic excited states after coherent excitation by UV pulses or (UV+IR) pulses as well as those of electric fields of the optimal laser pulses. Time-dependent simulations of the perimeter ring current and middle ring current of anthracene, which are induced by analytical electric fields of UV pulsed lasers, were performed to reproduce the QOC results.

  15. Insight into structural remodeling of the FlhA ring responsible for bacterial flagellar type III protein export

    PubMed Central

    2018-01-01

    The bacterial flagellum is a supramolecular motility machine. Flagellar assembly begins with the basal body, followed by the hook and finally the filament. A carboxyl-terminal cytoplasmic domain of FlhA (FlhAC) forms a nonameric ring structure in the flagellar type III protein export apparatus and coordinates flagellar protein export with assembly. However, the mechanism of this process remains unknown. We report that a flexible linker of FlhAC (FlhAL) is required not only for FlhAC ring formation but also for substrate specificity switching of the protein export apparatus from the hook protein to the filament protein upon completion of the hook structure. FlhAL was required for cooperative ring formation of FlhAC. Alanine substitutions of residues involved in FlhAC ring formation interfered with the substrate specificity switching, thereby inhibiting filament assembly at the hook tip. These observations lead us to propose a mechanistic model for export switching involving structural remodeling of FlhAC. PMID:29707633

  16. The opposition and tilt effects of Saturn’s rings from HST observations

    NASA Astrophysics Data System (ADS)

    Salo, Heikki; French, Richard G.

    2010-12-01

    The two major factors contributing to the opposition brightening of Saturn's rings are (i) the intrinsic brightening of particles due to coherent backscattering and/or shadow hiding on their surfaces, and (ii) the reduced interparticle shadowing when the solar phase angle α → 0°. We utilize the extensive set of Hubble Space Telescope observations (Cuzzi, J.N., French, R.G., Dones, L. [2002]. Icarus 158, 199-223) for different elevation angles B and wavelengths λ to disentangle these contributions. We assume that the intrinsic contribution is independent of B, so that any B dependence of the phase curves is due to interparticle shadowing, which must also act similarly for all λ's. Our study complements that of Poulet et al. (Poulet, F., Cuzzi, J.N., French, R.G., Dones, L. [2002]. Icarus 158, 224), who used a subset of data for a single B ˜ 10°, and the French et al. (French, R.G., Verbiscer, A., Salo, H., McGhee, C.A., Dones, L. [2007b] PASP 119, 623-642) study for the B ˜ 23° data set that included exact opposition. We construct a grid of dynamical/photometric simulation models, with the method of Salo and Karjalainen (Salo and Karjalainen [2003]. Icarus 164, 428-460), and use these simulations to fit the elevation-dependent part of opposition brightening. Eliminating the modeled interparticle component yields the intrinsic contribution to the opposition effect: for the B and A rings it is almost entirely due to coherent backscattering; for the C ring, an intraparticle shadow hiding contribution may also be present. Based on our simulations, the width of the interparticle shadowing effect is roughly proportional to B. This follows from the observation that as B decreases, the scattering is primarily from the rarefied low filling factor upper ring layers, whereas at larger B's the dense inner parts are visible. Vertical segregation of particle sizes further enhances this effect. The elevation angle dependence of interparticle shadowing also explains most

  17. Clumping in the Cassini Division and C Ring: Constraints from Stellar Occultations

    NASA Astrophysics Data System (ADS)

    Colwell, J. E.; Jerousek, R. G.; Esposito, L. W.

    2014-12-01

    Particles in Saturn's rings are engaged in a constant tug-of-war between interparticle gravitational and adhesive forces that lead to clumping, on the one hand, and Keplerian shear that inhibits accretion on the other. Depending on the surface mass density of the rings and the local orbital velocity, ephemeral clumps or self-gravity wakes can form, giving the rings granularity on the scale of the most-unstable length scale against gravitational collapse. The A ring and many regions of the B ring are dominated by self-gravity wakes with a typical radial wavelength of ~50-100 m. A characteristic of self-gravity wakes is that they can effectively shadow the relatively empty spaces in between them, depending on viewing geometry. This leads to geometry-dependent measurements of optical depth in occultations of the rings. The C ring and Cassini Division have significantly lower surface mass densities than the A and B ring such that in most of these regions the most-unstable wavelength is comparable to the size of the ring particles (~1 m) so that self-gravity wake formation is not expected nor have its characteristics in various measurements been observed. Here we present measurements of the optical depth of the C ring and Cassini Division with the Cassini Ultraviolet Imaging Spectrograph (UVIS) showing variations with viewing geometry in the "ramp" regions and the Cassini Division "triple band". These variations are characteristic of self-gravity wakes. We place limits on clumping in other regions of the C ring and Cassini Division.

  18. Exploring the ring current of carbon nanotubes by first-principles calculations.

    PubMed

    Ren, Pengju; Zheng, Anmin; Xiao, Jianping; Pan, Xiulian; Bao, Xinhe

    2015-02-01

    Ring current is a fundamental concept to understand the nuclear magnetic resonance (NMR) properties and aromaticity for conjugated systems, such as carbon nanotubes (CNTs). Employing the recently developed gauge including projector augmented wave (GIPAW) method, we studied the ring currents of CNTs systematically and visualized their distribution. The ring current patterns are determined by the semiconducting or metallic properties of CNTs. The discrepancy is mainly caused by the axial component of external magnetic fields, whereas the radial component induced ring currents are almost independent of the electronic structures of CNTs, where the intensities of the ring currents are linearly related to the diameters of the CNTs. Although the ring currents induced by the radial component are more intense than those by the axial component, only the latter determines the overall NMR responses and aromaticity of the CNTs as well. Furthermore, the semiconducting CNTs are more aromatic than their metallic counterparts due to the existence of delocalized ring currents on the semiconducting CNTs. These fundamental features are of vital importance for the development of CNT-based nanoelectronics and applications in magnetic fields.

  19. Exploring the ring current of carbon nanotubes by first-principles calculations

    PubMed Central

    Ren, Pengju; Zheng, Anmin; Xiao, Jianping; Pan, Xiulian

    2015-01-01

    Ring current is a fundamental concept to understand the nuclear magnetic resonance (NMR) properties and aromaticity for conjugated systems, such as carbon nanotubes (CNTs). Employing the recently developed gauge including projector augmented wave (GIPAW) method, we studied the ring currents of CNTs systematically and visualized their distribution. The ring current patterns are determined by the semiconducting or metallic properties of CNTs. The discrepancy is mainly caused by the axial component of external magnetic fields, whereas the radial component induced ring currents are almost independent of the electronic structures of CNTs, where the intensities of the ring currents are linearly related to the diameters of the CNTs. Although the ring currents induced by the radial component are more intense than those by the axial component, only the latter determines the overall NMR responses and aromaticity of the CNTs as well. Furthermore, the semiconducting CNTs are more aromatic than their metallic counterparts due to the existence of delocalized ring currents on the semiconducting CNTs. These fundamental features are of vital importance for the development of CNT-based nanoelectronics and applications in magnetic fields. PMID:29560175

  20. Upper air teleconnections to Ob River flows and tree rings

    NASA Astrophysics Data System (ADS)

    Meko, David; Panyushkina, Irina; Agafonov, Leonid

    2015-04-01

    The Ob River, one of the world's greatest rivers, with a catchment basin about the size of Western Europe, contributes 12% or more of the annual freshwater inflow to the Arctic Ocean. The input of heat and fresh water is important to the global climate system through effects on sea ice, salinity, and the thermohaline circulation of the ocean. As part of a tree-ring project to obtain multi-century long information on variability of Ob River flows, a network of 18 sites of Pinus, Larix, Populus and Salix has been collected along the Ob in the summers of 2013 and 2014. Analysis of collections processed so far indicates a significant relationship of tree-growth to river discharge. Moderation of the floodplain air temperature regime by flooding appears to be an important driver of the tree-ring response. In unraveling the relationship of tree-growth to river flows, it is important to identify atmospheric circulation features directly linked to observed time series variations of flow and tree growth. In this study we examine statistical links between primary teleconnection modes of Northern Hemisphere upper-air (500 mb) circulation, Ob River flow, and tree-ring chronologies. Annual discharge at the mouth of the Ob River is found to be significantly positively related to the phase of the East Atlantic (EA) pattern, the second prominent mode of low-frequency variability over the North Atlantic. The EA pattern, consisting of a north-south dipole of pressure-anomaly centers spanning the North Atlantic from east to west, is associated with a low-pressure anomaly centered over the Ob River Basin, and with a pattern of positive precipitation anomaly of the same region. The positive correlation of discharge and EA is consistent with these know patterns, and is contrasted with generally negative (though smaller) correlations between EA and tree-ring chronologies. The signs of correlations are consistent with a conceptual model of river influence on tree growth through air

  1. Validation of annual growth rings in freshwater mussel shells using cross dating .Can

    Treesearch

    Andrew L. Rypel; Wendell R. Haag; Robert H. Findlay

    2009-01-01

    We examined the usefulness of dendrochronological cross-dating methods for studying long-term, interannual growth patterns in freshwater mussels, including validation of annual shell ring formation. Using 13 species from three rivers, we measured increment widths between putative annual rings on shell thin sections and then removed age-related variation by...

  2. Boron in tree-ring as an indicator of forest disturbances in the Lower Athabasca Oil Sands region, Northeastern Alberta, Canada

    NASA Astrophysics Data System (ADS)

    Bégin, Christian; Savard, Martine M.; Marion, Joëlle; Thiffault, Évelyne; Pinno, Brad

    2016-04-01

    Industrial activities related to oil sands (OS) extraction in northeastern Alberta (Canada) have generated, since 1967, important quantities of NOx and SO2 emissions that can lead to several negative effects on forest ecosystems including the potential for soil acidification. In addition, mining processes, tailing pond treatments and heavy transport (haul roads) in mining areas are considered important sources of air contaminants that have the potential to impair forest health by affecting the nutrient balance and physiology of trees. In this study, we analysed micronutrients (B, Fe, Zn, Na, Cu) and macronutrients (Ca, Mg, Mn, K) in the tree-ring series of jack pine (Pinus banksiana) and spruce (Picea glauca and Picea mariana) trees growing at different distances from the heart of mining operations (two sites for each species). Based on tree-ring records, our aims were to provide a historical perspective on the nutritional status of forest ecosystems and to identify temporal changes in tree-ring chemistry that can be attributed to OS activities. One of the key findings of this research is the direct and immediate response of boron (B) in woody tissues of all studied species to mining operations. During the pre-mining period (prior to 1967) [B] variations in tree-rings of the three species covary with other elements such as Na and Fe and are likely controlled by environmental factors, namely climatic conditions. After 1970, [B] increases and strongly departs from trends of other elements. In jack pine trees (54 km NNE of the centre of industrial operations) the increasing trend is abrupt with mean [B] increasing from 11.7 mg/kg during the pre-industrial period to 14.3 mg/kg during mining period. In spruce trees at the proximal site (14 km NE), [B] increases gradually and nicely reproduces the historical pattern of industrial emissions with mean pre-mining [B] of 29.5 mg/kg increasing to 92.1 mg/kg during the mining period. At the four spruce sites, the increasing

  3. Discovery of multi-ring basins - Gestalt perception in planetary science

    NASA Technical Reports Server (NTRS)

    Hartmann, W. K.

    1981-01-01

    Early selenographers resolved individual structural components of multi-ring basin systems but missed the underlying large-scale multi-ring basin patterns. The recognition of multi-ring basins as a general class of planetary features can be divided into five steps. Gilbert (1893) took a first step in recognizing radial 'sculpture' around the Imbrium basin system. Several writers through the 1940's rediscovered the radial sculpture and extended this concept by describing concentric rings around several circular maria. Some reminiscences are given about the fourth step - discovery of the Orientale basin and other basin systems by rectified lunar photography at the University of Arizona in 1961-62. Multi-ring basins remained a lunar phenomenon until the fifth step - discovery of similar systems of features on other planets, such as Mars (1972), Mercury (1974), and possibly Callisto and Ganymede (1979). This sequence is an example of gestalt recognition whose implications for scientific research are discussed.

  4. Photometric Analysis of the Jovian Ring System and Modeling of Ring Origin and Evolution

    NASA Technical Reports Server (NTRS)

    Esposito, L. W.

    2003-01-01

    We have successfully completed the work described in our proposal. The work supported by this grant resulted in the publication of the following paper: Brooks, S. M., L. W. Esposito, M. R. Showalter, and H. B. Throop. 2002. The size distribution of Jupiter's main ring from Galileo imaging and spectroscopy. Icarus, in press. This was also the major part of Dr. Shawn Brooks PhD dissertation. Dr. Brooks gave oral presentations on this work at the Lunar and Planetary Conference, the annual meetings of the Division for Planetary Sciences of the American Astronomical Society, the annual meetings of the European Geophysical Society, the international Jupiter Conference in Boulder, the Jupiter after Galileo and Cassini Conference in Lisbon and to the Working Group in Non-Linear Dynamics in Potsdam, Germany. This work was reviewed in: Esposito, L. W. 2002. Planetary rings. Rep. hog. Phys. 65, 1741-1783. Planetary rings. LASP reprint 874. Online at http://stacks.iop.org/RoPP/65/1741. Dr. Esposito gave presentations at schools and over the internet on the results of this work. Dr. Brooks lectured in undergraduate and graduate classes on Jupiter's rings, and on the meaning of his research. In August 2003, Dr. Shawn Brooks received the Phd degree from the University of Colorado in Astrophysical and Planetary Sciences.

  5. The two nerve rings of the hypostomal nervous system of Hydra vulgaris-an immunohistochemical analysis.

    PubMed

    Hufnagel, L A; Kass-Simon, G

    2016-11-01

    In Hydra vulgaris, physiological and pharmacological evidence exists for a hypostomal circumferential neuro-effector pathway that initiates ectodermal pacemaker activity at tentacular-hypostomal loci coordinating body and tentacle contractions. Here, we describe an ectodermal nerve ring that runs below and between the tentacles, and an anti-GABA B receptor antibody-labeled ring coincident with it. The location of this ring is consistent with the physiology of the hypostomal pacemaker systems of hydra. We also describe a distally located, ectodermal ring of nerve fibers that is not associated with anti-GABA B receptor antibody labeling. The neurites and cell bodies of sensory cells contribute to both rings. The location of the distal ring and its sensory cell neurites suggests an involvement in the behavior of the mouth. Between the two rings is a network of anastomosing sensory and ganglion cell bodies and their neurites. Phase contrast, darkfield, and antibody-labeled images reveal that the mouth of hydra comprises five or six epithelial folds whose endoderm extensively labels with anti-GABA B receptor antibody, suggesting that endodermal metabotrobic GABA receptors are also involved in regulating mouth behavior.

  6. Modulation of the Substitution Pattern of 5-Aryl-2-Aminoimidazoles Allows Fine-Tuning of Their Antibiofilm Activity Spectrum and Toxicity

    PubMed Central

    Peeters, Elien; Hooyberghs, Geert; Robijns, Stijn; Waldrant, Kai; De Weerdt, Ami; Delattin, Nicolas; Liebens, Veerle; Kucharíková, Soňa; Tournu, Hélène; Verstraeten, Natalie; Dovgan, Barbara; Girandon, Lenart; Fröhlich, Mirjam; De Brucker, Katrijn; Michiels, Jan; Cammue, Bruno P. A.; Thevissen, Karin; Vanderleyden, Jozef; Van der Eycken, Erik

    2016-01-01

    We previously synthesized several series of compounds, based on the 5-aryl-2-aminoimidazole scaffold, that showed activity preventing the formation of Salmonella enterica serovar Typhimurium and Pseudomonas aeruginosa biofilms. Here, we further studied the activity spectrum of a number of the most active N1- and 2N-substituted 5-aryl-2-aminoimidazoles against a broad panel of biofilms formed by monospecies and mixed species of bacteria and fungi. An N1-substituted compound showed very strong activity against the biofilms formed by Gram-negative and Gram-positive bacteria and the fungus Candida albicans but was previously shown to be toxic against various eukaryotic cell lines. In contrast, 2N-substituted compounds were nontoxic and active against biofilms formed by Gram-negative bacteria and C. albicans but had reduced activity against biofilms formed by Gram-positive bacteria. In an attempt to develop nontoxic compounds with potent activity against biofilms formed by Gram-positive bacteria for application in antibiofilm coatings for medical implants, we synthesized novel compounds with substituents at both the N1 and 2N positions and tested these compounds for antibiofilm activity and toxicity. Interestingly, most of these N1-,2N-disubstituted 5-aryl-2-aminoimidazoles showed very strong activity against biofilms formed by Gram-positive bacteria and C. albicans in various setups with biofilms formed by monospecies and mixed species but lost activity against biofilms formed by Gram-negative bacteria. In light of application of these compounds as anti-infective coatings on orthopedic implants, toxicity against two bone cell lines and the functionality of these cells were tested. The N1-,2N-disubstituted 5-aryl-2-aminoimidazoles in general did not affect the viability of bone cells and even induced calcium deposition. This indicates that modulating the substitution pattern on positions N1 and 2N of the 5-aryl-2-aminoimidazole scaffold allows fine-tuning of both the

  7. Field enhanced graphene based dual hexagonal ring optical antenna for tip-enhanced spectroscopy

    NASA Astrophysics Data System (ADS)

    Aditya, Rachakonda A. N. S.; Thampy, Anand Sreekantan

    2018-05-01

    Field enhanced graphene based dual hexagonal ring optical antenna has been designed in IR regime. Outcomes of hexagonal rings with gold and graphene materials and their effect has been studied and analyzed. Graphene based structures are found to have better and enhanced results as compared to that of gold. In addition, a two fold increase in bandwidth (∼30 THz) and cross-section (∼6.00E+06 nm2) has been observed in case of graphene. Field patterns for various tip/corner curvatures are simulated and localized/regional field patterns are justified. The effect of inter ring spacing on absorption cross section has been studied for every 10 nm increase in spacing. This absorption enhancement in addition to field localization makes the current structure feasible for tip enhanced spectroscopy.

  8. Differential Effects of the G118R, H51Y, and E138K Resistance Substitutions in Different Subtypes of HIV Integrase

    PubMed Central

    Quashie, Peter K.; Oliviera, Maureen; Veres, Tamar; Osman, Nathan; Han, Ying-Shan; Hassounah, Said; Lie, Yolanda; Huang, Wei; Mesplède, Thibault

    2014-01-01

    ABSTRACT Dolutegravir (DTG) is the latest antiretroviral (ARV) approved for the treatment of human immunodeficiency virus (HIV) infection. The G118R substitution, previously identified with MK-2048 and raltegravir, may represent the initial substitution in a dolutegravir resistance pathway. We have found that subtype C integrase proteins have a low enzymatic cost associated with the G118R substitution, mostly at the strand transfer step of integration, compared to either subtype B or recombinant CRF02_AG proteins. Subtype B and circulating recombinant form AG (CRF02_AG) clonal viruses encoding G118R-bearing integrases were severely restricted in their viral replication capacity, and G118R/E138K-bearing viruses had various levels of resistance to dolutegravir, raltegravir, and elvitegravir. In cell-free experiments, the impacts of the H51Y and E138K substitutions on resistance and enzyme efficiency, when present with G118R, were highly dependent on viral subtype. Sequence alignment and homology modeling showed that the subtype-specific effects of these mutations were likely due to differential amino acid residue networks in the different integrase proteins, caused by polymorphic residues, which significantly affect native protein activity, structure, or function and are important for drug-mediated inhibition of enzyme activity. This preemptive study will aid in the interpretation of resistance patterns in dolutegravir-treated patients. IMPORTANCE Recognized drug resistance mutations have never been reported for naive patients treated with dolutegravir. Additionally, in integrase inhibitor-experienced patients, only R263K and other previously known integrase resistance substitutions have been reported. Here we suggest that alternate resistance pathways may develop in non-B HIV-1 subtypes and explain how “minor” polymorphisms and substitutions in HIV integrase that are associated with these subtypes can influence resistance against dolutegravir. This work also

  9. Differential effects of the G118R, H51Y, and E138K resistance substitutions in different subtypes of HIV integrase.

    PubMed

    Quashie, Peter K; Oliviera, Maureen; Veres, Tamar; Osman, Nathan; Han, Ying-Shan; Hassounah, Said; Lie, Yolanda; Huang, Wei; Mesplède, Thibault; Wainberg, Mark A

    2015-03-01

    Dolutegravir (DTG) is the latest antiretroviral (ARV) approved for the treatment of human immunodeficiency virus (HIV) infection. The G118R substitution, previously identified with MK-2048 and raltegravir, may represent the initial substitution in a dolutegravir resistance pathway. We have found that subtype C integrase proteins have a low enzymatic cost associated with the G118R substitution, mostly at the strand transfer step of integration, compared to either subtype B or recombinant CRF02_AG proteins. Subtype B and circulating recombinant form AG (CRF02_AG) clonal viruses encoding G118R-bearing integrases were severely restricted in their viral replication capacity, and G118R/E138K-bearing viruses had various levels of resistance to dolutegravir, raltegravir, and elvitegravir. In cell-free experiments, the impacts of the H51Y and E138K substitutions on resistance and enzyme efficiency, when present with G118R, were highly dependent on viral subtype. Sequence alignment and homology modeling showed that the subtype-specific effects of these mutations were likely due to differential amino acid residue networks in the different integrase proteins, caused by polymorphic residues, which significantly affect native protein activity, structure, or function and are important for drug-mediated inhibition of enzyme activity. This preemptive study will aid in the interpretation of resistance patterns in dolutegravir-treated patients. Recognized drug resistance mutations have never been reported for naive patients treated with dolutegravir. Additionally, in integrase inhibitor-experienced patients, only R263K and other previously known integrase resistance substitutions have been reported. Here we suggest that alternate resistance pathways may develop in non-B HIV-1 subtypes and explain how "minor" polymorphisms and substitutions in HIV integrase that are associated with these subtypes can influence resistance against dolutegravir. This work also highlights the importance

  10. Erratum: Voyager Color Photometry of Saturn's Main Rings

    NASA Technical Reports Server (NTRS)

    Estrada, Paul R.; Cuzzi, Jeffrey N.; Showalter, Mark R.; DeVincenzi, Donald (Technical Monitor)

    2002-01-01

    We correct a calibration error in our earlier analysis of Voyager color observations of Saturn's main rings at 14 deg phase angle and present thoroughly revised and reanalyzed radial profiles of the brightness of the main rings in Voyager G, V, and UV filters, and ratios of these brightnesses. These results are consistent with more recent HST results at 6 deg phase angle, once allowance is made for plausible phase reddening of the rings. Unfortunately, the Voyager camera calibration factors are simply not sufficiently well known for a combination of the Voyager and HST data to be used to constrain the phase reddening quantitatively. However, some interesting radial variations in reddening between 6-14 deg phase angles are hinted at. We update a ring-and-satellite color vs. albedo plot from Cuzzi and Estrada in several ways. The A and B rings are still found to be in a significantly redder part of color-albedo space than Saturn's icy satellites.

  11. Ring dynamics

    NASA Technical Reports Server (NTRS)

    Borderies, Nicole

    1989-01-01

    Theoretical models of planetary-ring dynamics are discussed in a detailed analytical review and illustrated with graphs and diagrams. The streamline concept is introduced, and the phenomena associated with the transport of angular momentum are described. Particular attention is then given to (1) broad rings like those of Saturn (shepherding, density-wave excitation, gaps, bending-wave excitation, multiringlet structures, inner-edge shepherding, and the possibility of polar rings around Neptune), (2) narrow rings like those of Uranus (shepherding, ring shapes, and a self-gravity model of rigid precession), and (3) ring arcs like those seen in stellar-occultation observations of Neptune.

  12. Facile construction of substituted pyrimido[4,5-d]pyrimidones by transformation of enaminouracil

    PubMed Central

    Hamama, Wafaa S.; Ismail, Mohamed A.; Al-Saman, Hanaa A.; Zoorob, Hanafi H.

    2012-01-01

    The reaction of 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (1) as a binucleophile with primary aromatic or heterocyclic amines and formaldehyde or aromatic (heterocyclic) aldehydes in a molar ratio (1:1:2) gave the pyrimido[4,5-d]pyrimidin-2,4-dione ring systems 2–5. Treatment of 1 with diamines and formalin in molar ratio (2:1:4) gave the bis-pyrimido[4,5-d]pyrimidin-2,4-diones 6–8. Furthermore, substituted pyrimido[4,5-d]pyrimidin-2,4-diones with uracil derivative 11 or spiro indole 16 were synthesized. Synthesis of pyrimido[4,5-d]pyrimidin-2,4-diones with different substitution at C-5 and C-7 was achieved to give 13 and 18, respectively. PMID:25685408

  13. An experimental study of miscible viscous fingering of annular ring

    NASA Astrophysics Data System (ADS)

    Nagatsu, Yuichiro; Othman, Hamirul Bin; Mishra, Manoranjan

    2017-11-01

    Understanding the viscous fingering (VF) dynamics of finite width sample is important in the fields especially such as liquid chromatography and groundwater contamination and mixing in microfluidics. In this paper, we experimentally investigate such hydrodynamical morphology of VF using a Hele-Shaw flow system in which a miscible annular ring of fluid is displaced radially. Experiments are performed to investigate the effects of the sample volume, the effects of dispersion and log mobility ratio R on the dynamics of VF pattern and onset of such instability. Depending whether the finite width ring is more or less viscous than the carrier fluid, the log mobility ratio R becomes positive or negative respectively. The experiments are successfully conducted to obtain the VF patterns for R>0 and R<0, of the finite annular ring at the inner and outer radial interfaces, respectively. It is found that in the radial displacement, the inward finger moves slower than the outward finger. The experimental results are found to be qualitatively in good agreement with the corresponding linear stability analysis and non-linear simulations results available in the literature.

  14. Rotavirus NSP1 Requires Casein Kinase II-Mediated Phosphorylation for Hijacking of Cullin-RING Ligases.

    PubMed

    Davis, Kaitlin A; Morelli, Marco; Patton, John T

    2017-08-29

    The rotavirus nonstructural protein NSP1 repurposes cullin-RING E3 ubiquitin ligases (CRLs) to antagonize innate immune responses. By functioning as substrate adaptors of hijacked CRLs, NSP1 causes ubiquitination and proteasomal degradation of host proteins that are essential for expression of interferon (IFN) and IFN-stimulated gene products. The target of most human and porcine rotaviruses is the β-transducin repeat-containing protein (β-TrCP), a regulator of NF-κB activation. β-TrCP recognizes a phosphorylated degron (DSGΦXS) present in the inhibitor of NF-κB (IκB); phosphorylation of the IκB degron is mediated by IκB kinase (IKK). Because NSP1 contains a C-terminal IκB-like degron (ILD; DSGXS) that recruits β-TrCP, we investigated whether the NSP1 ILD is similarly activated by phosphorylation and whether this modification is required to trigger the incorporation of NSP1 into CRLs. Based on mutagenesis and phosphatase treatment studies, we found that both serine residues of the NSP1 ILD are phosphorylated, a pattern mimicking phosphorylation of IκB. A three-pronged approach using small-molecule inhibitors, small interfering RNAs, and mutagenesis demonstrated that NSP1 phosphorylation is mediated by the constitutively active casein kinase II (CKII), rather than IKK. In coimmunoprecipitation assays, we found that this modification was essential for NSP1 recruitment of β-TrCP and induced changes involving the NSP1 N-terminal RING motif that allowed formation of Cul3-NSP1 complexes. Taken together, our results indicate a highly regulated stepwise process in the formation of NSP1-Cul3 CRLs that is initiated by CKII phosphorylation of NSP1, followed by NSP1 recruitment of β-TrCP and ending with incorporation of the NSP1-β-TrCP complex into the CRL via interactions dependent on the highly conserved NSP1 RING motif. IMPORTANCE Rotavirus is a segmented double-stranded RNA virus that causes severe diarrhea in young children. A primary mechanism used by the

  15. Resonance Frequency Tuning of a Double Ring Resonator in GaInAsP/InP: Experiment and Simulation

    NASA Astrophysics Data System (ADS)

    Rabus, Dominik Gerhard; Hamacher, Michael; Heidrich, Helmut

    2002-02-01

    A racetrack shaped double ring resonator (DRR) filter is demonstrated with radii of 200 μm. The double ring resonator contains two -3 dB multimode interference (MMI) couplers for I/O coupling and a -13 dB codirectional coupler in between the rings. A free spectral range of 50 GHz has been realized. A simulation model has been developed to describe the DRR. As fabrication tolerances do not allow the realization of two identical rings with required nm-circumference accuracy in the resonator, a frequency alignment of the resonator is indispensable. The resonance frequency tuning is performed thermally using platinum resistors which have been placed on top of the waveguides in both rings. An on-off ratio increase has been achieved of more than 3 dB, resulting in a total on-off ratio larger than 18 dB. The frequency alignment is inevitable in the case of multiple coupled micro ring resonators.

  16. BindML/BindML+: Detecting Protein-Protein Interaction Interface Propensity from Amino Acid Substitution Patterns.

    PubMed

    Wei, Qing; La, David; Kihara, Daisuke

    2017-01-01

    Prediction of protein-protein interaction sites in a protein structure provides important information for elucidating the mechanism of protein function and can also be useful in guiding a modeling or design procedures of protein complex structures. Since prediction methods essentially assess the propensity of amino acids that are likely to be part of a protein docking interface, they can help in designing protein-protein interactions. Here, we introduce BindML and BindML+ protein-protein interaction sites prediction methods. BindML predicts protein-protein interaction sites by identifying mutation patterns found in known protein-protein complexes using phylogenetic substitution models. BindML+ is an extension of BindML for distinguishing permanent and transient types of protein-protein interaction sites. We developed an interactive web-server that provides a convenient interface to assist in structural visualization of protein-protein interactions site predictions. The input data for the web-server are a tertiary structure of interest. BindML and BindML+ are available at http://kiharalab.org/bindml/ and http://kiharalab.org/bindml/plus/ .

  17. Circadian clock protein KaiC forms ATP-dependent hexameric rings and binds DNA

    PubMed Central

    Mori, Tetsuya; Saveliev, Sergei V.; Xu, Yao; Stafford, Walter F.; Cox, Michael M.; Inman, Ross B.; Johnson, Carl H.

    2002-01-01

    KaiC from Synechococcus elongatus PCC 7942 (KaiC) is an essential circadian clock protein in cyanobacteria. Previous sequence analyses suggested its inclusion in the RecA/DnaB superfamily. A characteristic of the proteins of this superfamily is that they form homohexameric complexes that bind DNA. We show here that KaiC also forms ring complexes with a central pore that can be visualized by electron microscopy. A combination of analytical ultracentrifugation and chromatographic analyses demonstrates that these complexes are hexameric. The association of KaiC molecules into hexamers depends on the presence of ATP. The KaiC sequence does not include the obvious DNA-binding motifs found in RecA or DnaB. Nevertheless, KaiC binds forked DNA substrates. These data support the inclusion of KaiC into the RecA/DnaB superfamily and have important implications for enzymatic activity of KaiC in the circadian clock mechanism that regulates global changes in gene expression patterns. PMID:12477935

  18. Circadian clock protein KaiC forms ATP-dependent hexameric rings and binds DNA.

    PubMed

    Mori, Tetsuya; Saveliev, Sergei V; Xu, Yao; Stafford, Walter F; Cox, Michael M; Inman, Ross B; Johnson, Carl H

    2002-12-24

    KaiC from Synechococcus elongatus PCC 7942 (KaiC) is an essential circadian clock protein in cyanobacteria. Previous sequence analyses suggested its inclusion in the RecADnaB superfamily. A characteristic of the proteins of this superfamily is that they form homohexameric complexes that bind DNA. We show here that KaiC also forms ring complexes with a central pore that can be visualized by electron microscopy. A combination of analytical ultracentrifugation and chromatographic analyses demonstrates that these complexes are hexameric. The association of KaiC molecules into hexamers depends on the presence of ATP. The KaiC sequence does not include the obvious DNA-binding motifs found in RecA or DnaB. Nevertheless, KaiC binds forked DNA substrates. These data support the inclusion of KaiC into the RecADnaB superfamily and have important implications for enzymatic activity of KaiC in the circadian clock mechanism that regulates global changes in gene expression patterns.

  19. Different patterns of skin manifestations associated with parvovirus B19 primary infection in adults.

    PubMed

    Mage, Valentia; Lipsker, Dan; Barbarot, Sébastien; Bessis, Didier; Chosidow, Olivier; Del Giudice, Pascal; Aractingi, Sélim; Avouac, Jérôme; Bernier, Claire; Descamps, Vincent; Dupin, Nicolas

    2014-07-01

    Skin involvement is reported during primary parvovirus B19 infection in adults. We sought to describe the cutaneous presentations associated with parvovirus B19 primary infection in adults. We conducted a descriptive, retrospective, multicenter study. The patients included (>18 years old) had well-established primary infections with parvovirus B19. Twenty-nine patients were identified between 1992 and 2013 (17 women, 12 men). The elementary dermatologic lesions were mostly erythematous (86%) and often purpuric (69%). Pruritus was reported in 48% of cases. The rash predominated on the legs (93%), trunk (55%), and arms (45%), with a lower frequency of facial involvement (20%). Four different but sometimes overlapping patterns were identified (45%): exanthema, which was reticulated and annular in some cases (80%); the gloves-and-socks pattern (24%); the periflexural pattern (28%); and palpable purpura (24%). The limitations of this study were its retrospective design and possible recruitment bias in tertiary care centers. Our findings suggest that primary parvovirus B19 infection is associated with polymorphous skin manifestations with 4 predominant, sometimes overlapping, patterns. The acral or periflexural distribution of the rash and the presence of purpuric or annular/reticulate lesions are highly suggestive of parvovirus B19 infection. Copyright © 2014 American Academy of Dermatology, Inc. Published by Mosby, Inc. All rights reserved.

  20. The Lord of Rings - the mysterious case of the stolen rings: a critical analysis

    NASA Astrophysics Data System (ADS)

    Sandrelli, S.

    The Lord of Rings - the mysterious case of the stolen rings: a critical analysis S. Sandrelli INAF - Osservatorio Astronomico di Brera, Milano, Italy (stefano.sandrelli@brera.inaf.it / Fax: 02 72001600 / Phone: +39 02 72320337) "The Lord of Rings - the mysterious case of the stolen rings" is a live astronomical role-playing game for kids aged 10 -13. Its goal is to introduce them to some of the main topics of the Solar System: a) the role of gravity; b) the distribution of mass & light; c) the effects of rotation; d) the distribution of water. The game was held both at the Perugia (2004) and the Genova Science Festival (2005), obtaining great success. Teams of about 6-8 members are introduced to Mr Schioppanelli, the astro-detective of the town (the name is a pun: it reminds Schiaparelli, the famous italian astronomer, and it is a slang expression meaning "ring-breaker"). Mr Schioppanelli has his office in an "gastronomical astronomical observatory", known as The Red Giant Pizzeria. Schioppanelli informs the kids that a mysterious Centaur succeded in stealing the rings of Saturn. The partecipants are appointed astro-detectives in-charge and asked to find the rings by browsing around the Solar System, which is scaled so as to fit the town historical centre or a pedestrian area, going from the Sun to Saturn or beyond, depending on the actual area at disposal. Great care must be taken allowing children playing only in a car-free area of the town. At the right scaled distances, the partecipants meet characters playing as the various planets. The kids can talk to them after solving a riddle, obtaining useful informations. A special characters play as a comet, timely going in and out of the inner solar system. The teams can also talk to some shepherd-moons of the rings. They easily discover that the rings were totally destroyed by the Centaur: a real disaster! They are also suggested to gather the necessary ingredients (gravity, light, rotation, inclination, dust and