WorldWideScience

Sample records for azulene

  1. Photomutagenicity of cosmetic ingredient chemicals azulene and guaiazulene

    International Nuclear Information System (INIS)

    Wang Lei; Yan Jian; Fu, Peter P.; Parekh, Karishma A.; Yu Hongtao

    2003-01-01

    The photomutagenicity of the popular skin conditioning agents azulene and guaiazulene were tested in Salmonella typhimurium TA98, TA100 and TA102. Following irradiation with UVA and/or visible light, both azulene and guaiazulene exhibited mutagenicity 4-5-fold higher than the spontaneous background mutation. In contrary, naphthalene, a structural isomer of azulene, was not photomutagenic under the same conditions. Azulene was photomutagenic when irradiated with UVA light alone, visible light alone, or a combination of UVA and visible light. Azulene and guaiazulene are not mutagenic when the experiment is conducted with the exclusion of light. Therefore, extreme care must be taken when using cosmetic products with azulene/guaiazulene as ingredients since after applying these products on the skin, exposure to sunlight is inevitable

  2. Comparative study of electron conduction in azulene and naphthalene

    Indian Academy of Sciences (India)

    Wintec

    Our calculations show the possibility of huge device application of azulene in nano-scale ... tally in recent times because of its wide variety of device applications (Ratner et al 1994, 1996; Dorogi et al 1995; .... Figure 5 shows the variation of the energy of azulene system as a function of external electric field. The energy.

  3. Azulenic Chromophores For Optical Limiting and Other Nonlinear Optical Applications

    National Research Council Canada - National Science Library

    Asato, Alfred

    2003-01-01

    .... The effect of fluorine and other substituents on the excited singlet state properties of azulene and, in particular, the enhancement of first excited state lifetimes and fluorescence quantum yields was investigated...

  4. Synthesis of 2-Iodoazulenes by the Iododeboronation of Azulen-2-ylboronic Acid Pinacol Esters with Copper(I) Iodide.

    Science.gov (United States)

    Narita, Masahiro; Murafuji, Toshihiro; Yamashita, Saki; Fujinaga, Masayuki; Hiyama, Kumiko; Oka, Yurie; Tani, Fumito; Kamijo, Shin; Ishiguro, Katsuya

    2018-02-02

    Azulen-2-ylboronic acid pinacol ester, prepared by iridium-catalyzed C-H borylation of azulene, efficiently underwent iododeboronation with a stoichiometric amount of copper(I) iodide. This reaction allowed the synthesis of 2-iodoazulene in only two steps starting from azulene. This methodology was successfully applied to analogous azulenes.

  5. Energetics and stability of azulene: From experimental thermochemistry to high-level quantum chemical calculations

    International Nuclear Information System (INIS)

    Sousa, Clara C.S.; Matos, M. Agostinha R.; Morais, Victor M.F.

    2014-01-01

    Highlights: • Experimental standard molar enthalpy of formation, sublimation azulene. • Mini-bomb combustion calorimetry, sublimation Calvet microcalorimetry. • High level composite ab initio calculations. • Computational estimate of the enthalpy of formation of azulene. • Discussion of stability and aromaticity of azulene. - Abstract: The standard (p 0 = 0.1 MPa) molar enthalpy of formation for crystalline azulene was derived from the standard molar enthalpy of combustion, in oxygen, at T = 298.15 K, measured in a mini-bomb combustion calorimeter (aneroid isoperibol calorimeter) and the standard molar enthalpy of sublimation, at T = 298.15 K, measured by Calvet microcalorimetry. From these experiments, the standard molar enthalpy of formation of azulene in the gaseous phase at T = 298.15 K was calculated. In addition, very accurate quantum chemical calculations at the G3 and G4 composite levels of calculation were conducted in order to corroborate our experimental findings and further clarify and establish the definitive standard enthalpy of formation of this interesting non-benzenoid hydrocarbon

  6. Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement.

    Science.gov (United States)

    Das, Soumyajit; Wu, Jishan

    2015-12-04

    Recent developments of open-shell singlet diradicaloids motivated the search for stable singlet-triplet bistable nonalternant polycyclic hydrocarbons. During the synthesis of this type of molecule, such as the dibenzo-cyclohepta[def]fluorene 3, an unexpected azulene-to-naphthalene rearrangement was observed at room temperature, which resulted in new nonalternant hydrocarbons 8a/8b with a closed-shell singlet ground state. These studies provided insight into the unique chemistry of azulene and challenges for the synthesis of singlet-triplet bistable polycyclic hydrocarbons.

  7. Synthesis of novel low-bandgap organic semiconductors: Azulene-1,3-diyl-vinylene oligomers

    Czech Academy of Sciences Publication Activity Database

    Strachota, Adam; Cimrová, Věra; Thorn-Csányi, E.

    2008-01-01

    Roč. 268, č. 1 (2008), s. 66-71 ISSN 1022-1360. [Microsymposium on Advanced Polymer Materials for Photonics and Electronics /47./. Prague, 15.07.2007-19.07.2007] R&D Projects: GA AV ČR IAA4050409; GA MŠk(CZ) 1M06031 Institutional research plan: CEZ:AV0Z40500505 Keywords : azulene * low bandgap * organic semiconductors Subject RIV: BM - Solid Matter Physics ; Magnetism

  8. CONVERGENT SYNTHESIS AND EVALUATION OF 18F-LABELED AZULENIC COX2 PROBES FOR CANCER IMAGING

    Directory of Open Access Journals (Sweden)

    Donald D. Nolting

    2013-01-01

    Full Text Available The overall objectives of this research are to (i develop azulene-based PET probes and (ii image COX2 as a potential biomarker of breast cancer. Several lines of research have demonstrated that COX2 is overexpressed in breast cancer and that its presence correlates with poor prognoses. While other studies have reported that COX2 inhibition can be modulated and used beneficially as a chemopreventive strategy in cancer, no viable mechanism for achieving that approach has yet been developed. This shortfall could be circumvented through in vivo imaging of COX2 activity, particularly using sensitive imaging techniques such as PET. Toward that goal, our laboratory focuses on the development of novel 18F-labled COX2 probes. We began the synthesis of the probes by transforming tropolone into a lactone, which was subjected to an [8+2] cycloaddition reaction to yield 2-methylazulene as the core ring of the probe. After exploring numerous synthetic routes, the final target molecule and precursor PET compounds were prepared successfully using convergent synthesis. Conventional 18F labeling methods caused precursor decomposition, which prompted us to hypothesize that the acidic protons of the methylene moiety between the azulene and thiazole rings were readily abstracted by a strong base such as potassium carbonate. Ultimately, this caused the precursors to disintegrate. This observation was supported after successfully using an 18F labeling strategy that employed a much milder phosphate buffer. The 18F-labeled COX2 probe was tested in a breast cancer xenograft mouse model. The data obtained via successive whole-body PET/CT scans indicated probe accumulation and retention in the tumor. Overall, the probe was stable in vivo and no defluorination was observed. A biodistribution study and Western blot analysis corroborate with the imaging data. In conclusion, this novel COX2 PET probe was shown to be a promising agent for cancer imaging and deserves further

  9. Modeling energy transfer in molecular collisions: Statistical theory versus experiment for highly excited toluene and azulene

    Science.gov (United States)

    Nilsson, Daniel; Nordholm, Sture

    2003-12-01

    The recent development and application of the method of kinetically controlled selective ionization has produced detailed and reliable data on the collisional energy transfer kernel P(E',E) entering master equation theories of unimolecular reaction rates. Here we test the ability of our partially ergodic collision theory (PECT) to predict the functional form of the observed kernel leaving only one parameter, the first moment of the distribution , to be input from other sources. The data explored here include two reactant molecules, toluene and azulene, in collisions with 18 and 8 medium molecules, respectively, ranging from inert gas atoms to n-heptane. The initial energy of the reactant molecule is varied from 10 000 cm-1 to 49 000 cm-1 and 30 000 cm-1, respectively. The energy transfer efficiency βE is about one-tenth of its ergodic collision limit of unity. The PECT is found to fit the monoexponential form of the kernel determined from the experimental data over a broad range of initial energies E including tail regions of very low probability. A minor but systematic deviation is observed for nearly elastic collisions of large medium molecules. The functional fit is good enough to effectively allow the three parameters of the monoexponential experimental kernel to be replaced by a single parameter representing energy transfer efficiency.

  10. Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

    Science.gov (United States)

    Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

    2016-07-14

    Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

  11. DFT calculations and electrochemical studies on azulene ligands for heavy metal ions detection using chemically modified electrodes

    Directory of Open Access Journals (Sweden)

    Amalia Stefaniu

    2018-03-01

    Full Text Available A computational study on three related derivatives of 5-[(azulen-1-ylmethylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, molecular frontier orbitals, etc.. Thermodynamic properties (zero-point energy, enthalpy, constant volume heat capacity, entropy and Gibbs energy for these derivatives have been calculated and related to ligands electrochemical behavior. Reduction and oxidation potentials have been correlated to their calculated energy levels for LUMO and HOMO orbitals. Chemically modified electrodes based on these derivatives have been tested in view of heavy metal ions recognition, and their detection limits have been correlated to the calculated values of electron affinity.

  12. Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and perylene

    Energy Technology Data Exchange (ETDEWEB)

    Huzak, M. [Theoretical Chemistry and Molecular Modelling, Hasselt University, Agoralaan, Gebouw D, B-3590 Diepenbeek (Belgium); Hajgato, B. [General Chemistry Division, Free University of Brussels (VUB), Pleinlaan 2, B-1050 Brussels (Belgium); Deleuze, M.S., E-mail: michael.deleuze@uhasselt.be [Theoretical Chemistry and Molecular Modelling, Hasselt University, Agoralaan, Gebouw D, B-3590 Diepenbeek (Belgium)

    2012-10-08

    Highlights: Black-Right-Pointing-Pointer Electronic properties of aromatic hydrocarbons are computed at benchmark levels. Black-Right-Pointing-Pointer Electron correlation has a very strong influence on the computed results. Black-Right-Pointing-Pointer The role of structural relaxation and zero-point vibrations is highlighted. Black-Right-Pointing-Pointer We approach chemical accuracy, using the principles of a focal point analysis. -- Abstract: The vertical and adiabatic singlet-triplet energy gaps, electron affinities and ionization energies of azulene, phenanthrene, pyrene, chrysene, and perylene are computed by applying the principles of a focal point analysis onto a series of single-point calculations at the level of Hartree-Fock theory, second-, third-, and fourth-order Moller-Plesset perturbation theory, as well as coupled cluster theory including single, double and perturbative triple excitations, in conjunction with correlation consistent basis sets of improving quality. Results are supplemented with an extrapolation to the limit of an asymptotically complete basis set. According to our best estimates, azulene, phenanthrene, pyrene, chrysene, and perylene exhibit adiabatic singlet-triplet energy gaps of 1.79, 2.92, 2.22, 2.79 and 1.71 eV, respectively. In the same order, the corresponding adiabatic electron affinities (EAs) amount to 0.71, -0.08, -0.40, 0.24, and 0.87 eV, whereas benchmark values equal to 7.43, 8.01, 7.48, 7.66 and 7.15 eV, are found for the adiabatic ionization energies.

  13. Comparative study of electron conduction in azulene and naphthalene

    Indian Academy of Sciences (India)

    Wintec

    in our systems as a response of the external electric field. Parallely we have performed the Gaussian calcula- tions with electric field in the same bias window to observe the impact of external bias on the wave functions of the systems. ..... ring, whereas reverse bias drives the electrons opposite to the dipole moment direc-.

  14. Total synthesis of a CD-ring: side-chain building block for preparing 17-epi-calcitriol derivatives from the Hajos-Parrish dione.

    Science.gov (United States)

    Michalak, Karol; Wicha, Jerzy

    2011-08-19

    An efficient synthesis of the key building block for 17-epi-calctriol from the Hajos-Parrish dione involving a sequence of diastereoselective transformation of the azulene core and the side-chain construction is presented.

  15. Infrared emission from a polycyclic aromatic hydrocarbon (PAH) excited by ultraviolet laser

    International Nuclear Information System (INIS)

    Cherchneff, I.; Barker, J.R.

    1989-01-01

    The infrared fluorescence spectrum from the C-H stretch modes of vibrationally excited azulene (C10H8), a PAH was measured in the laboratory. PAHs are candidates as carriers of the unidentified infrared emission bands that are observed in many astronomical objects associated with dust and ultraviolet light. In the present experiment, gas phase azulene was excited with light from a 308 nm pulsed laser, and the infrared emission spectrum was time-resolved and wavelength-resolved. Moreover, the infrared absorption spectrum of gas phase azulene was obtained using an FTIR spectrometer. The laboratory emission spectrum resembles observed infrared emission spectra from the interstellar medium, providing support for the hypothesis that PAHs are the responsible carriers. The azulene C-H stretch emission spectrum is more asymmetric than the absorption spectrum, probably due to anharmonicity of levels higher than nu = 1. 36 refs

  16. Drug: D04344 [KEGG MEDICUS

    Lifescience Database Archive (English)

    Full Text Available D04344 Mixture ... Drug Azulene sulfonate sodium - sodium bicarbonate mixt; Hachiazu...le (TN) Sodium guaiazulene sulfonate [DR:D02706], Sodium bicarbonate [DR:D01203] ... Therapeutic category: 2260 ... PubChem: 17398065 ...

  17. 13b,13c-Di-2-pyridyl-5,7,12,13b,13c,14-hexahydro-6H,13H-5a,6a,12a,13a-tetraazabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-6,13-dione methanol hemisolvate

    Directory of Open Access Journals (Sweden)

    Lin Li

    2008-01-01

    Full Text Available The title compound, C30H24N6O2·0.5CH3OH, a glycoluril derivative with two pyridine substituents on the convex face of the glycoluril system, is an important intermediate for the synthesis of more complex glycoluril derivatives. The compound crystallizes with two independent molecules in the asymmetric unit, one of which exhibits disorder of one benzene ring over two orientations with refined site occupancy factors 0.65 (4:0.35 (4. The crystal structure contains several short C—H...O contacts, and the methanol molecule forms an O—H...O hydrogen bond to one of the glycoluril molecules.

  18. Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.

    Science.gov (United States)

    Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi

    2016-09-07

    Intermolecular orbital coupling is fundamentally important to organic semiconductor performance. Recently, we reported that 2,6':2',6″-terazulene (TAz1) exhibited excellent performance as an n-type organic field-effect transistor (OFET) via molecular orbital distribution control. To validate and develop this concept, here we present three other terazulene regioisomers, which have three azulene molecules connected at the 2- or 6-position along the long axis of the azulene, thus constructing a linear expanded π-conjugation system: 2,2':6',2″-terazulene (TAz2), 2,2':6',6″-terazulene (TAz3), and 6,2':6',6″-terazulene (TAz4). TAz2 and TAz3 exhibit ambipolar characteristics; TAz4 exhibits clear n-type transistor behavior as an OFET. The lowest unoccupied molecular orbitals (LUMOs) of all terazulenes are fully delocalized over the entire molecule. In contrast, the highest occupied molecular orbitals (HOMOs) of TAz2 and TAz3 are delocalized over the 2,2'-biazulene units; the HOMOs of TAz4 are localized at one end of the azulene unit. These findings confirm that terazulene isomers which are simple hydrocarbon compounds are versatile materials with a tunable-polarity FET characteristic that depends on the direction of the azulene unit and the related contrast of the molecular orbital distribution in the terazulene backbone.

  19. RE-SONANCE--IMar-ch

    Indian Academy of Sciences (India)

    Azulene is a fused 7/5 ring system with five double bonds. One can rearrange the double bonds to write an ionic structure shown below in which both rings have six tr electrons - which makes both rings aromatic. This necessarily leads to a charge separation (as in the first example) which results in a moderate dipole ...

  20. Learning about Structural and Optical Properties of Organic Compounds through Preparation of Functional Nanomicelles While Avoiding Hazardous Chemicals or Complicated Apparatus

    Science.gov (United States)

    Langhals, Heinz; Eberspa¨cher, Moritz; Hofer, Alexander

    2015-01-01

    The synthesis of nanomicelles in the aqueous phase on the basis of nonhazardous detergents is described where azulene and a naphthalene tetracarboximide are used in this experiment to teach the relation between structural and optical properties of organic compounds and point out possible applications. The experiment covers many aspects of…

  1. The bacteriostatic activity of essential oils for some specimen Millefolium Koch. genus Achillea L.

    Directory of Open Access Journals (Sweden)

    G. P. Smoilovskaya

    2014-12-01

    Full Text Available Pharmacologic effect of herbal drugs is associated with the availability in its composition the complex of biologically active substances, particularly, the essential oils, which are capable to suppress the multiplication of many microorganisms, fungi, viruses. Aim. To determine the bacteriostatic activity of essential oils of Millefolium subvulgare and Millefolium setaceum have been studied physic – chemical characters, identification and quantitative content of constituents of the essential oils obtained has been carried out by gas chromatography mass-spectrometry. Methods and results. It has been identified in the composition of the essential oil from Achillea setacea Waldst. et Kit 63 substances, 57 substances for Achillea submillefolium Klok. et Krytzka, azulene derivatives were predominant. The subsequent bacteriostatic studies for essential oils revealed their pronounced bacteriostatic activity for Staphylococcus aureus, mixt- flore1, Pseudomonas aeruginosa, Streptococcus pyogenes, Escherichia coli. Conclusion. The essential oil from Millefolium subvulgare demonstrated the more intensive activity associated with the predominance of azulene derivatives.

  2. Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1978-1979

    Energy Technology Data Exchange (ETDEWEB)

    McGlynn, S.P.

    1979-08-07

    Work in progress includes: analyzing the lowest-energy Rydberg transitions of the alkyl halides; decomposition of a spectroscopic signal S into a system of bands; luminescence of aqueous systems; a study of the effects of small molecules on hydrogen bonding via glass transitions in ethanol; Rydberg/intravalence mixing in the S/sub 2/ state of azulene; ultraviolet photoelectron spectroscopy of carbonyls; and multi-photon processes.

  3. Energy transfer properties and mechanisms

    International Nuclear Information System (INIS)

    Barker, J.R.

    1993-01-01

    Since no single experimental technique is the best method for energy transfer experiments, we have used both time-dependent infrared fluorescence (IRF) and time-dependent thermal lensing (TDTL) to study energy transfer in various systems. We are investigating pump-probe techniques employing resonance enhanced multiphoton ionization (REMPI). IRF was used to study benzene, azulene, and toluene. TDTL was used to study CS 2 and SO 2 (data not given for latter). Large molecule energy transfer mechanisms are discussed. 10 figs

  4. The Spanish Blue Division

    Science.gov (United States)

    2005-03-18

    Individual, Divisi6n Esparlola de Voluntarios (Frente de Rusia ) Septiembre 1942-Febrero 1943, prisionero en los campos de concentraci6n de la Uni6n Sovi6tica...Hitler. Madrid: Editorial San Martin, 1983. La Divisi6n Azul, typed manuscript, n.p., n.d. Martinez Esparza, Jose, Coronel. Con la Divisi6nAzulen Rusia ...Francisco, Teniente, Medalla Militar Individual, Divisi6n Espatjola de Voluntarios (Frente de Rusia ) Septiembre 1942-Febrero 1943, prisionero en los

  5. Volvalerine A, an unprecedented N-containing sesquiterpenoid dimer derivative from Valeriana officinalis var. latifolia.

    Science.gov (United States)

    Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Ma, Qing-Yun; Zhou, Jun; Hu, Jiang-Miao; Zhao, You-Xing

    2016-03-01

    Volvalerine A (1), a novel N-containing bisesquiterpenoid derivative with a dihydroisoxazole ring, and its possible biosynthetic precursor, 1-hydroxy-1,11,11-trimethyldecahydrocyclopropane azulene-10-one (2), were isolated from the roots of Valeriana officinalis var. latifolia. Their structures and relative configurations were identified using spectroscopic data and X-ray crystallography. A plausible biosynthetic pathway for 1 is also presented. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1978-1979

    International Nuclear Information System (INIS)

    McGlynn, S.P.

    1979-01-01

    Work in progress includes: analyzing the lowest-energy Rydberg transitions of the alkyl halides; decomposition of a spectroscopic signal S into a system of bands; luminescence of aqueous systems; a study of the effects of small molecules on hydrogen bonding via glass transitions in ethanol; Rydberg/intravalence mixing in the S 2 state of azulene; ultraviolet photoelectron spectroscopy of carbonyls; and multi-photon processes

  7. Study of reduction methods for irradiation on oral mucositis. The examination of reduction methods for mucosal failure

    International Nuclear Information System (INIS)

    Tonogi, Morio; Yamane, Genyuki; Aoyagi, Yutaka; Hasegawa, Azusa; Mizoe, Junetsu; Tsujii, Hirohiko

    2004-01-01

    Reduction methods for irradiation on oral mucosa examined concerning in acute phase of the carbon ion radiotherapy for head and neck malignancies. We enforced a mechanical teeth and gingival cleaning as an Oral hearth care and gargled a polaprezinc with sodium alginate, and azulene- lidocaine with glycerin sodium as a oral linces before radiation. The response of the mucosal failure was reduced compare with no care group. In this Result, we considered that oral hearth care for prevention of infection, and mucosa protection by the drug was important factor. (author)

  8. Anticholinesterase activity of the fluorescent zoanthid pigment, parazoanthoxanthin A.

    Science.gov (United States)

    Sepcić, K; Turk, T; Macek, P

    1998-06-01

    A synthetic linear tetrazacyclopent(f)azulene compound, parazoanthoxanthin A (m.w. 214.2), strongly fluorescent pigment occurring in zoanthids, was characterized and assayed for anticholinesterase activity. The pigment, emitting fluorescence at lambda(em) 420 nm, was found to be a pure competitive inhibitor of cholinesterases. At pH 8.0, a Ki value of 19 and 26 microM was determined with insect recombinant, and electric eel acetylcholinesterase. Horse serum butyrylcholinesterase was less sensitive with a Ki of 70 microM.

  9. Photoresponsive Liquid Crystals Based on Dihydroazulene

    DEFF Research Database (Denmark)

    Petersen, Anne Ugleholdt

    of a series of thioester analogues. Only few examples of liquidcrystalline thioesters have been reported in the literature. It was shown that these materials haveindeed been overlooked in the field of liquid crystal chemistry, as they were found to showinteresting properties.Chiral azulenes were made...... is currently not totally understood.Efforts also went into finishing projects started on in my Master’s project and were initiallyenvisaged as the methodologies for designing DHA molecules with liquid crystal properties. Thisincluded the reaction of adding a triisopropylacetylide to azulenium cation...

  10. Identification and effects of interaction phytotoxic compounds from exudate of Cistus ladanifer leaves.

    Science.gov (United States)

    Chaves, N; Sosa, T; Alías, J C; Escudero, J C

    2001-03-01

    Eleven allelochemicals (ferulic acid, cinnamic acid, 4-hydroxybenzoic acid, hydroxycinnamic acid, methyl propionate, oxalic acid, methylmalonic acid, p-anisic acid, butyric acid, 3-hydroxybutyric acid, and azulene) were identified in the exudate of Cistus ladanifer L. We studied the effect of each on germination, cotyledon emergence, root length, and cotyledon length of Rumex crispus. Three groups were distinguished with respect to phytotoxic activity: compounds with low activity (ferulic acid, 4-hydroxybenzoic acid, oxalic acid, methylmalonic acid, p-anisic acid, hydroxybutyric acid, and azulene), with intermediate activity (cinnamic acid and hydroxycinnamic acid), and with high activity (methyl propionate and butyric acid). The effect of the interaction of the compounds was studied. When acting conjointly, all combinations tested produced a more negative effect on both germination and seedling growth than when acting alone. The interaction affected cotyledon emergence and root length more negatively than germination and cotyledon length. When hydroxycinnamic acid and cinnamic acid were added to these mixtures there was an enhancement in the phytotoxic activity, accentuating the effect of the other allelochemicals.

  11. Experimental observation of the influence of furnace temperature profile on convection and segregation in the vertical Bridgman crystal growth technique

    Science.gov (United States)

    Neugebauer, G. T.; Wilcox, William R.

    1992-01-01

    Azulene-doped naphthalene was directionally solidified during the vertical Bridgman-Stockbarger technique. Doping homogeneity and convection were determined as a function of the temperature profile in the furnace and the freezing rate. Convection velocities were two orders of magnitude lower when the temperature increased with height. Rarely was the convection pattern axisymmetric, even though the temperature varied less than 0.1 K around the circumference of the growth ampoule. Correspondingly the cross sectional variation in azulene concentration tended to be asymmetric, especially when the temperature increased with height. This cross sectional variation changed dramatically along the ingot, reflecting changes in convection presumably due to the decreasing height of the melt. Although there was large scatter and irreproducibility in the cross sectional variation in doping, this variation tended to be least when the growth rate was low and the convection was vigorous. It is expected that compositional variations would also be small at high growth rates with weak convection and flat interfaces, although this was not investigated in the present experiments. Neither rotation of the ampoule nor deliberate introduction of thermal asymmetries during solidification had a significant influence on cross sectional variations in doping. It is predicted that slow directional solidification under microgravity conditions could produce greater inhomogeneities than on Earth. Combined use of microgravity and magnetic fields would be required to achieve homogeneity when it is necessary to freeze slowly in order to avoid constitutional supercooling.

  12. The Origin of Remarkable Chromatographic Differences in Novel Azulenyl-1,5-diols; & Synthesis and Use of Phosphinine and Phosphabarrelene Ligands for Asymmetric Catalysis

    Science.gov (United States)

    Horgen, Dana Ann

    The synthesis, characterization and analysis of novel chiral molecules advance many areas of synthetic organic chemistry, both industrially and academically. This work touches on three of the major methods for obtaining enantiomerically pure compounds. Based on the observation of a remarkably large difference in the silica TLC mobility of a pair of azulene 1,5-diol diastereomers, a series of such azulene 1,5-diols were prepared. Every pair of diastereomers was especially well separated, and X-ray crystallography revealed a conformational explanation of the large differences in mobility. The separation of the diol enantiomers was then studied on two chiral HLPC columns. The enantiomers were well-resolved, the separation appearing to benefit from the presence of the azulene ring. In addition, the more polar diastereomers on silica TLC gave dramatically better enantiomer separations on a Chiralcel-OD-H column. Very few chiral phosphinine and phosphabarrelene ligands have been reported in the literature but have shown promise as good ligands for asymmetric catalysis. Our group had previously synthesized a C2-symmetric chiral bis-camphorphosphinine and the derived bis-camphorphosphabarrelene but neither had been tested as ligands for hydroformylation. In this work, optimization of the synthesis of these two compounds was undertaken. In addition, modifications to the structure of these molecules that incorporated electron donating (N,N-dimethylaminophenyl-) or electron withdrawing (trifluoromethyl-) substituents were made in an attempt to affect the electronic nature of the phosphorus atom. Steric modifications were also done to create a more hindered environment around the phosphorus atom. The activity and selectivity of bis-camphorphosphinine, bis-camphorphosphabarrelene and other chiral phosphinine molecules serving as ligands in the rhodiumcatalyzed hydroformylation of styrene were compared to other phosphorus ligands recently published in the literature. All of

  13. Low-intensity laser coupled with photosensitizer to reduce bacteria in root canals compared to chemical control

    International Nuclear Information System (INIS)

    Garcez Segundo, Aguinaldo Silva

    2002-01-01

    The photodynamic therapy is a process in which a dye is associate with an appropriate wavelength of light and this dye goes to an excited state. The excited reacts with oxygen to form the highly reactive compound singlet oxygen, and this compound can kill bacteria and tumor cells. The purpose of this study was to evaluate the bactericidal reduction in root canal contaminated with E. Faecalis. Thirty teeth with their root canals prepared were contaminated with E. faecalis. The teeth have received the chemical substance sodium hypochlorite for 30 minutes; ten teeth have received the azulene dye paste for 5 minutes and have been irradiated with a diode laser, output power 10 mW and λ= 685 nm for 3 minutes. Ten teeth have not received treatment (control group). The bacterial reduction was significantly higher for laser group when compared to chemical and control groups. These results indicate photodynamic therapy as an effective method to kill bacteria. (author)

  14. Low-intensity laser coupled with photosensitizer to reduce bacteria in root canals compared to chemical control; Laser em baixa intensidade associado a fotosensibilizador para reducao bacteriana intracanal comparado ao controle quimico

    Energy Technology Data Exchange (ETDEWEB)

    Garcez Segundo, Aguinaldo Silva

    2002-07-01

    The photodynamic therapy is a process in which a dye is associate with an appropriate wavelength of light and this dye goes to an excited state. The excited reacts with oxygen to form the highly reactive compound singlet oxygen, and this compound can kill bacteria and tumor cells. The purpose of this study was to evaluate the bactericidal reduction in root canal contaminated with E. Faecalis. Thirty teeth with their root canals prepared were contaminated with E. faecalis. The teeth have received the chemical substance sodium hypochlorite for 30 minutes; ten teeth have received the azulene dye paste for 5 minutes and have been irradiated with a diode laser, output power 10 mW and {lambda}= 685 nm for 3 minutes. Ten teeth have not received treatment (control group). The bacterial reduction was significantly higher for laser group when compared to chemical and control groups. These results indicate photodynamic therapy as an effective method to kill bacteria. (author)

  15. Spark-erosion characteristics of graphite and CO gas

    International Nuclear Information System (INIS)

    Bickford, K.J.; Hanks, K.W.; Willis, W.L.

    1982-01-01

    The spark erosion characteristic of high-purity graphite and CO for 1-kHz gas blown rail-gap applications has been experimentally evaluated. The test configuration simulates a single channel, 1650-A arc discharge per linear inch of electrode length, with a 44-kV self-breakdown voltage and a transverse gas flow of 98 m/s. The dielectric gas was seeded with a small quantity of azulene vapor and a downstream uv preionization spark was used to assist the self-breakdown of the test electrodes. The erosion characteristics of other, more conventional electrode materials and dielectric gases were also examined and the results are presented graphically. Commerically pure tungsten in air was determined to exhibit the least erosion rate (2.1 x 10 -6 cc/C) for this duty, as compared to graphite and CO

  16. Rational Design of a Green-Light-Mediated Unimolecular Platform for Fast Switchable Acidic Sensing.

    Science.gov (United States)

    Zhou, Yunyun; Zou, Qi; Qiu, Jing; Wang, Linjun; Zhu, Liangliang

    2018-02-01

    A controllable sensing ability strongly connects to complex and precise events in diagnosis and treatment. However, imposing visible light into the molecular-scale mediation of sensing processes is restricted by the lack of structural relevance. To address this critical challenge, we present the rational design, synthesis, and in vitro studies of a novel cyanostyryl-modified azulene system for green-light-mediated fast switchable acidic sensing. The advantageous features of the design include a highly efficient green-light-driven Z/E-isomerization (a quantum yield up to 61.3%) for fast erasing chromatic and luminescent expressions and a superior compatibility with control of ratiometric protonation. Significantly, these merits of the design enable the development of a microfluidic system to perform a green-light-mediated reusable sensing function toward a gastric acid analyte in a miniaturized platform. The results may provide new insights for building future integrated green materials.

  17. Photoswitching of Dihydroazulene Derivatives in Liquid-Crystalline Host Systems

    DEFF Research Database (Denmark)

    Petersen, Anne Ugleholdt; Jevric, Martyn; Mandle, Richard J.

    2017-01-01

    Photoswitches and dyes in the liquid-crystalline nematic phase have the potential for use in a wide range of applications. A large order parameter is desirable to maximize the change in properties induced by an external stimulus. A set of photochromic and nonphotochromic dyes were investigated...... for these applications. It was found that a bent-shaped 7-substituted dihydroazulene (DHA) photoswitch exhibited liquid-crystalline properties. Further investigation demonstrated that this material actually followed two distinct reaction pathways on heating, to a deactivated form by a 1,5-sigmatropic shift...... and to a linear 6-substituted DHA. In addition, elimination of hydrogen cyanide from the photoactive DHA gave both bent and linear azulene dyes. In a nematic host that has no absorbance around 350nm, it was found that only the linear DHA derivative has nematic properties; however, both 6- and 7-substituted DHAs...

  18. Electronic relaxation processes in polyatomic molecules. Progress report, October 1, 1975--September 30, 1976

    International Nuclear Information System (INIS)

    Lim, E.C.

    1976-09-01

    Excitation energy dependence of radiationless decay rate under collision-free conditions was utilized as a probe of intramolecular vibrational relaxation in tetracene and pentacene. The results give evidence of vibrational relaxation which competes with electronic relaxation. The substitution dependence of T 1 (nπ*) → S 0 radiationless transition in monocyclic diazines and the temperature dependence of S 1 non-radiative decay rate in alcoholic solutions of polycyclic monoazines indicate that the vibronic interaction between the lowest energy nπ* and ππ* states leads to a rapid radiationless deactivation of the lower of the two electronic states. Finally, a photon-counting spectrofluorometer of very high sensitivity was constructed, and it was used to record T 2 → T 1 fluorescence in bromoanthracenes and S 2 → S 1 fluorescence in azulene. These spectra represent the first bona-fide, or the most convincing, observation of fluorescence between excited electronic states

  19. Prediction of polycyclic aromatic hydrocarbons toxicity using equilibrium partitioning approach and narcosis model.

    Science.gov (United States)

    Ololade, I A

    2010-09-01

    The study underscores the use of equilibrium partitioning (EqP) to determine bioavailability and the narcosis theory to estimate toxicity of PAHs to benthic invertebrates. Eight PAHs (anthracene, azuleno(2,1-b)thiophene, benz(a)anthracene, carbazole, dibenzothiophene, benz(a)azulene, dibenzo(a,h)anthracene and phenanthrene) were identified with phenanthrene and carbazole recording the highest (6.29 microg/g) and least (0.06 microg/g) concentrations at both seasons. Based on EqP and Narcosis model, the sum of PAHs toxic unit (SigmaTU), at both sites is <1, suggesting no likelihood of PAHs toxicity to benthic invertebrates. The study suggests continuous PAH monitoring especially with aquatic species due to their transfer to human via food chain.

  20. Visualization of Nano-Plasmonic Coupling to Molecular Orbital in Light Emission Induced by Tunneling Electrons.

    Science.gov (United States)

    Yu, Arthur; Li, Shaowei; Wang, Hui; Chen, Siyu; Wu, Ruqian; Ho, Wilson

    2018-04-16

    The coupling between localized plasmon and molecular orbital in the light emission from a metallic nanocavity has been directly detected and imaged with sub-0.1 nm resolution. The light emission intensity was enhanced when the energy difference between the tunneling electrons and the lowest unoccupied molecular orbital (LUMO) of an azulene molecule matches the energy of a plasmon mode of the nanocavity defined by the Ag-tip and Ag (110) substrate of a scanning tunneling microscope (STM). The spatially resolved image of the light emission intensity matches the spatial distribution of the LUMO obtained by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. Our results highlight the near-field coupling of a molecular orbital to the radiative decay of a plasmonic excitation in a confined nanoscale junction.

  1. Seeking small molecules for singlet fission: a heteroatom substitution strategy.

    Science.gov (United States)

    Zeng, Tao; Ananth, Nandini; Hoffmann, Roald

    2014-09-10

    We design theoretically small molecule candidates for singlet fission chromophores, aiming to achieve a balance between sufficient diradical character and kinetic persistence. We develop a perturbation strategy based on the captodative effect to introduce diradical character into small π-systems. Specifically, this can be accomplished by replacing pairs of not necessarily adjacent C atoms with isoelectronic and isosteric pairs of B and N atoms. Three rules of thumb emerge from our studies to aid further design: (i) Lewis structures provide insight into likely diradical character; (ii) formal radical centers of the diradical must be well-separated; (iii) stabilization of radical centers by a donor (N) and an acceptor (B) is essential. Following the rules, we propose candidate molecules. Employing reliable multireference calculations for excited states, we identify three likely candidate molecules for SF chromophores. These include a benzene, a napthalene, and an azulene, where four C atoms are replaced by a pair of B and a pair of N atoms.

  2. Three Novel Alkaloids from Portulaca oleracea L. and Their Anti-inflammatory Effects.

    Science.gov (United States)

    Li, Cui-Yu; Meng, Yi-Han; Ying, Zhe-Ming; Xu, Nan; Hao, Dong; Gao, Ming-Zhe; Zhang, Wen-Jie; Xu, Liang; Gao, Yu-Cong; Ying, Xi-Xiang

    2016-07-27

    Three novel carbon skeleton alkaloids, named oleracimine (1), oleracimine A (2), and oleracone A (3), with one novel azulene carbon skeleton compound, oleracone B (4), and one known compound, β-carboline (5), were first isolated from Portulaca oleracea L. The structures were determined using spectroscopic methods, including one- and two-dimensional nuclear magnetic resonance and high-resolution electrospray ionization time-of-flight mass spectrometry techniques. In addition, oleracimine (1) was used to investigate the anti-inflammatory effects on lipopolysaccharide-stimulated macrophages. The results of enzyme-linked immunosorbent assay, western blot, and real-time polymerase chain reaction showed that oleracimine (1) remarkably inhibited nitric oxide production and could dose-dependently decrease the secretions of interleukin 6, tumor necrosis factor α, nitric oxide, and prostaglandin E2 in cell culture supernatants as well as the mRNA of cyclooxygenase-2 and inducible nitric oxide synthase.

  3. Comparative study of the effects of photodynamic therapy and conventional therapy on ligature induced peri-implantitis in dogs; Estudo comparativo dos efeitos do laser de baixa potencia associado a fotossensibilizador e terapia convencional em periimplantes induzidas em mandibulas de caes

    Energy Technology Data Exchange (ETDEWEB)

    Hayek, Ricardo Rada Ahmad

    2004-07-01

    Progressive peri-implanter bone losses, which are accompanied by inflammatory process in the soft tissues is referred to as peri-implantitis. The aim of this study was to compare the effects of lethal photosensitisation with the conventional technique on bacterial reduction in ligature induced peri-implantitis in dogs. Seventeen third pre-molars of Labrador dogs were extracted and, immediately after, the implants were submerged. After osteointegration, peri-implantitis was induced. After 4 months, ligature were removed and the same period was waited for natural induction of bacterial plaque. The dogs were randomly divided into two groups. In the conventional group, they were treated with the conventional techniques of mucoperiosteal flaps for scaling the implant surface and irrigate it. In the laser group, only mucoperiosteal scaling was carried out before photodynamic therapy. On the peri-implanter pocket an azulene paste was injected and a GaAlAs low-power laser ({lambda}= 660 nm, P= 30 mW, E= 5,4 J and {delta}t= 3 min.). Microbiological samples were obtained before and immediately after treatment. One implant was removed to be analyzed by scan electron microscopy to verify contamination on the implant surface. The results of this study showed that Prevotella sp., Fusobacterium e S. Beta-haemolyticus were significantly reduced for the conventional and laser groups. (author)

  4. Organic polyaromatic hydrocarbons as sensitizing model dyes for semiconductor nanoparticles.

    Science.gov (United States)

    Zhang, Yongyi; Galoppini, Elena

    2010-04-26

    The study of interfacial charge-transfer processes (sensitization) of a dye bound to large-bandgap nanostructured metal oxide semiconductors, including TiO(2), ZnO, and SnO(2), is continuing to attract interest in various areas of renewable energy, especially for the development of dye-sensitized solar cells (DSSCs). The scope of this Review is to describe how selected model sensitizers prepared from organic polyaromatic hydrocarbons have been used over the past 15 years to elucidate, through a variety of techniques, fundamental aspects of heterogeneous charge transfer at the surface of a semiconductor. This Review does not focus on the most recent or efficient dyes, but rather on how model dyes prepared from aromatic hydrocarbons have been used, over time, in key fundamental studies of heterogeneous charge transfer. In particular, we describe model chromophores prepared from anthracene, pyrene, perylene, and azulene. As the level of complexity of the model dye-bridge-anchor group compounds has increased, the understanding of some aspects of very complex charge transfer events has improved. The knowledge acquired from the study of the described model dyes is of importance not only for DSSC development but also to other fields of science for which electronic processes at the molecule/semiconductor interface are relevant.

  5. The Composition of Cigarette Smoke. An Historical Perspective of Several Polycyclic Aromatic Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Rodgman A

    2014-12-01

    Full Text Available Because of the significant advancements in fractionation, analytical, and characterization technologies since the early 1960s, hundreds of components of complex mixtures have been accurately characterized without the necessity of actually isolating the individual component. This has been particularly true in the case of the complex mixtures tobacco and tobacco smoke. Herein, an historical account of a mid-1950 situation concerning polycyclic aromatic hydrocarbons (PAHs in cigarette smoke is presented. While the number of PAHs identified in tobacco smoke has escalated from the initial PAH, azulene, identified in 1947 to almost 100 PAHs identified by late 1963 to more than 500 PAHs identified by the late 1970s, the number of PAHs isolated individually and characterized by several of the so-called classical chemical means (melting point, mixture melting point, derivative preparation and properties in the mid-1950s and since is relatively few, 14 in all. They were among 44 PAHs identified in cigarette mainstream smoke and included the following PAHs ranging from bicyclic to pentacyclic: Acenaphthylene, 1,2-dihydroacenaphthylene, anthracene, benz[a]anthracene, benzo[a]pyrene, chrysene, dibenz[a, h]anthracene, fluoranthene, 9H-fluorene, naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, phenanthrene, and pyrene. One of them, benzo[a]pyrene, was similarly characterized in another study in 1959 by Hoffmann.

  6. Plastic waste to liquid oil through catalytic pyrolysis using natural and synthetic zeolite catalysts.

    Science.gov (United States)

    Miandad, R; Barakat, M A; Rehan, M; Aburiazaiza, A S; Ismail, I M I; Nizami, A S

    2017-11-01

    This study aims to examine the catalytic pyrolysis of various plastic wastes in the presence of natural and synthetic zeolite catalysts. A small pilot scale reactor was commissioned to carry out the catalytic pyrolysis of polystyrene (PS), polypropylene (PP), polyethylene (PE) and their mixtures in different ratios at 450°C and 75min. PS plastic waste resulted in the highest liquid oil yield of 54% using natural zeolite and 50% using synthetic zeolite catalysts. Mixing of PS with other plastic wastes lowered the liquid oil yield whereas all mixtures of PP and PE resulted in higher liquid oil yield than the individual plastic feedstocks using both catalysts. The GC-MS analysis revealed that the pyrolysis liquid oils from all samples mainly consisted of aromatic hydrocarbons with a few aliphatic hydrocarbon compounds. The types and amounts of different compounds present in liquid oils vary with some common compounds such as styrene, ethylbenzene, benzene, azulene, naphthalene, and toluene. The FT-IR data also confirmed that liquid oil contained mostly aromatic compounds with some alkanes, alkenes and small amounts of phenol group. The produced liquid oils have high heating values (HHV) of 40.2-45MJ/kg, which are similar to conventional diesel. The liquid oil has potential to be used as an alternative source of energy or fuel production. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Tenulin 0.25-hydrate, a sesquiterpene lactone isolated from Helenium amarum

    Directory of Open Access Journals (Sweden)

    Bruce Noll

    2013-08-01

    Full Text Available The asymmetric unit of the title compound, C17H22O5·0.25H2O [systematic name: 2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopent[cd,f]azulene-3,9-dione 0.25-hydrate], a natural product isolated from Helenium amarum, contains two independent tenulin molecules and half a water molecule of crystallization situated on a twofold rotation axis. The hydroxy group of the hemiketal moiety is in a β-position. In the crystal, each water molecule interacts with four tenulin molecules via O—H...O hydrogen bonds. The two independent tenulin molecules (A and B differ only in the character of their participation in hydrogen bonding. Specifically, while A is an acceptor of Owater—H...OA and a donor of OA—H...OB hydrogen bonds, molecule B is an acceptor of the latter hydrogen bond and the donor of an OB—H...Owater hydrogen bond. In the crystal, these O—H...O hydrogen bonds link the tenulin and water molecules into layers parallel to the ac plane.

  8. Comparative study of the effects of photodynamic therapy and conventional therapy on ligature induced peri-implantitis in dogs

    International Nuclear Information System (INIS)

    Hayek, Ricardo Rada Ahmad

    2004-01-01

    Progressive peri-implanter bone losses, which are accompanied by inflammatory process in the soft tissues is referred to as peri-implantitis. The aim of this study was to compare the effects of lethal photosensitisation with the conventional technique on bacterial reduction in ligature induced peri-implantitis in dogs. Seventeen third pre-molars of Labrador dogs were extracted and, immediately after, the implants were submerged. After osteointegration, peri-implantitis was induced. After 4 months, ligature were removed and the same period was waited for natural induction of bacterial plaque. The dogs were randomly divided into two groups. In the conventional group, they were treated with the conventional techniques of mucoperiosteal flaps for scaling the implant surface and irrigate it. In the laser group, only mucoperiosteal scaling was carried out before photodynamic therapy. On the peri-implanter pocket an azulene paste was injected and a GaAlAs low-power laser (λ= 660 nm, P= 30 mW, E= 5,4 J and Δt= 3 min.). Microbiological samples were obtained before and immediately after treatment. One implant was removed to be analyzed by scan electron microscopy to verify contamination on the implant surface. The results of this study showed that Prevotella sp., Fusobacterium e S. Beta-haemolyticus were significantly reduced for the conventional and laser groups. (author)

  9. Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

    Science.gov (United States)

    2018-01-01

    We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density-functional theory (QEDFT).1−5 Our construction employs the optimized-effective potential (OEP) approach by means of the Sternheimer equation to avoid the explicit calculation of unoccupied states. We demonstrate the efficiency of the scheme by applying it to an exactly solvable GaAs quantum ring model system, a single azulene molecule, and chains of sodium dimers, all located in optical cavities and described in full real space. While the first example is a two-dimensional system and allows to benchmark the employed approximations, the latter two examples demonstrate that the correlated electron-photon interaction appreciably distorts the ground-state electronic structure of a real molecule. By using this scheme, we not only construct typical electronic observables, such as the electronic ground-state density, but also illustrate how photon observables, such as the photon number, and mixed electron-photon observables, for example, electron–photon correlation functions, become accessible in a density-functional theory (DFT) framework. This work constitutes the first three-dimensional ab initio calculation within the new QEDFT formalism and thus opens up a new computational route for the ab initio study of correlated electron–photon systems in quantum cavities.

  10. Physico-chemical investigation of some areas of fundamental significance to biophysics. Annual report, 1979-1980

    International Nuclear Information System (INIS)

    McGlynn, S.P.

    1980-01-01

    All projects listed in this report have been submitted for publication as journal articles or DOE reports. Projects include: McGlynn, S.P., Felps, W.S. and Scott, J.D., Molecular Rydberg Transitions. XVIII. Vibronic Doubling in Methyl Iodide; Findley, G.L. and McGlynn, S.P., The Generalized Genetic Code. A Modification of Code Universality; Findley, G.L. and McGlynn, S.P., Fundamental Spectroscopic Studies of Some Atmospheric Pollutants; McGlynn, S.P., Azumi, T. and Kumar, D., The Colors of Post-Transition-Metal Salts; Lewis, J.W., Nauman, R.V., Boulder, D.B., Jr. and McGlynn, S.P., Molecular Rydberg Transitions. XIX. Low-Energy Rydberg States of Azulene; Felps, W.S., Scott, J.D., and McGlynn, S.P., Molecular Rydberg Transitions. XX. Vibronic Doubling in Alkyl Bromides; Felps, W.S. and McGlynn, S.P., Molecular Rydberg Transitions. XXI. Intermediate Coupling in Simple Bromides; McGlynn, S.P. and Felps, W.S., Molecular Rydberg Transitions. XXII. The π → 4s Transition of ClCN; Chattopadhyay, S., McGlynn, S.P. and Findley, G.L., Photoelectron Spectroscopy of Phosphites, Phosphates and Substituted Phosphates; and Scott, John D., A Perturbed Linear Molecule Model for the Spectroscopy of Almost Linear Molecules

  11. Volatile antimicrobials from Muscodor crispans, a novel endophytic fungus.

    Science.gov (United States)

    Mitchell, Angela M; Strobel, Gary A; Moore, Emily; Robison, Richard; Sears, Joe

    2010-01-01

    Muscodor crispans is a recently described novel endophytic fungus of Ananas ananassoides (wild pineapple) growing in the Bolivian Amazon Basin. The fungus produces a mixture of volatile organic compounds (VOCs); some of the major components of this mixture, as determined by GC/MS, are propanoic acid, 2-methyl-, methyl ester; propanoic acid, 2-methyl-; 1-butanol, 3-methyl-;1-butanol, 3-methyl-, acetate; propanoic acid, 2-methyl-, 2-methylbutyl ester; and ethanol. The fungus does not, however, produce naphthalene or azulene derivatives as has been observed with many other members of the genus Muscodor. The mixture of VOCs produced by M. crispans cultures possesses antibiotic properties, as does an artificial mixture of a majority of the components. The VOCs of the fungus are effective against a wide range of plant pathogens, including the fungi Pythium ultimum, Phytophthora cinnamomi, Sclerotinia sclerotiorum and Mycosphaerella fijiensis (the black sigatoka pathogen of bananas), and the serious bacterial pathogen of citrus, Xanthomonas axonopodis pv. citri. In addition, the VOCs of M. crispans killed several human pathogens, including Yersinia pestis, Mycobacterium tuberculosis and Staphylococcus aureus. Artificial mixtures of the fungal VOCs were both inhibitory and lethal to a number of human and plant pathogens, including three drug-resistant strains of Mycobacterium tuberculosis. The gaseous products of Muscodor crispans potentially could prove to be beneficial in the fields of medicine, agriculture, and industry.

  12. Photophysics of organic molecules at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, Dean James [Univ. of Illinois, Urbana-Champaign, IL (United States)

    1978-01-01

    The pressure dependence of emission intensities, energies, and lifetimes of several classes of organic compounds in plastic media were investigated over the range 0-140 kilobars. The fluorescence intensity of 9-anthraldehyde, 9-acetylanthracene, and 9-benzoylanthracene increases remarkably with increasing pressure, accompanied by a large red shift in the emission spectrum. For azulene and several derivatives, the efficiency of fluorescence from both the second and first excited singlet states was pressure dependent as was the relative energy of these states. The rate of internal conversion depended strongly on the energy separating the relevant states. The energy and quantum efficiency of fluorescence for fluorenone in crystalline form and in several polymeric matrices was measured as a function of pressure. The quantum yield, ranged from 0.001 at low pressure to a maximum of about 0.1 at high pressure in paraffinic plastics. Fluorescence quantum yields and phosphorescence quantum yields and lifetimes were measured for pyrazine (P) 2,6-dimethylpyrazine and tetramethylpyrazine (TMP) in PMMA over the pessure range 20-120 kbar. An additional emission, which is attributed to excimer fluorescence, was also observed for these samples and for crystalline pyrazine. The phosphorescence radiative lifetime for P and TMP was about 18 ms.

  13. Biosynthetically Guided Structure-Activity Relationship Studies of Merochlorin A, an Antibiotic Marine Natural Product.

    Science.gov (United States)

    López-Pérez, Borja; Pepper, Henry P; Ma, Rong; Fawcett, Benjamin J; Pehere, Ashok D; Wei, Qi; Ji, Zengchun; Polyak, Steven W; Dai, Huanqin; Song, Fuhang; Abell, Andrew D; Zhang, Lixin; George, Jonathan H

    2017-12-07

    The onset of new multidrug-resistant strains of bacteria demands continuous development of antibacterial agents with new chemical scaffolds and mechanisms of action. We present the first structure-activity relationship (SAR) study of 16 derivatives of a structurally novel antibiotic merochlorin A that were designed using a biosynthetic blueprint. Our lead compounds are active against several Gram-positive bacteria such as Staphylococcus aureus (SA), methicillin-resistant Staphylococcus aureus (MRSA), vancomycin-resistant Enterococcus faecium (VRE) and Bacillus subtilis, inhibit intracellular growth of Mycobacterium bovis, and are relatively nontoxic to human cell lines. Furthermore, derivative 12 c {(±)-(3aR,4S,5R,10bS)-5-bromo-7,9-dimethoxy-4-methyl-4-(4-methylpent-3-en-1-yl)-2-(propan-2-ylidene)-1,2,3,3a,4,5-hexahydro-6H-5,10b-methanobenzo[e]azulene-6,11-dione} was found to inhibit the growth of Bacillus Calmette-Guérin (BCG)-infected cells at concentrations similar to rifampicin. These results outperform the natural product, underscoring the potential of merochlorin analogues as a new class of antibiotics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Molecular Design of Doped Polymers for Thermoelectric Systems-Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Chabinyc, Michael L. [University of California, Santa Barbara; Hawker, Craig J. [University of California, Santa Barbara

    2013-10-09

    The self-assembly of organic semiconducting molecules and polymers is critical for their electrical properties. This project addressed the design of organic semiconductors with novel synthetic building blocks for proton-dopable conducting materials and the molecular order and microstructure of high performance semiconducting polymers blended with charge transfer dopants. Novel azulene donor-acceptor materials were designed and synthesized with unique electronic effects upon protonation to generate charged species in solution. The microstructure and optical properties of these derivatives were examined to develop structure-property relationships. Studies of the microstructure of blends of charge transfer doped semiconducting polymers revealed highly ordered conductive phases in blends. The molecular packing of one blend was studied in detail using a combination of solid-state NMR and x-ray scattering revealing that dopant incorporation is unlikely to be random as assumed in transport models. Studies of the electrical properties of these highly ordered blends revealed a universal trend between the thermopower and electrical conductivity of semiconducting polymers that is independent of the doping mechanism.

  15. Selection of active spaces for multiconfigurational wavefunctions

    International Nuclear Information System (INIS)

    Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus; Janowski, Tomasz; Pulay, Peter

    2015-01-01

    The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F 2 , ozone, and NO 2 ), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr 2 ). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

  16. Volatile-Mediated Attraction of Greenhouse Whitefly Trialeurodes vaporariorum to Tomato and Eggplant

    Science.gov (United States)

    Darshanee, Hewa L. C.; Ren, Hui; Ahmed, Nazeer; Zhang, Zhan-Feng; Liu, Yan-Hong; Liu, Tong-Xian

    2017-01-01

    The behavior of the greenhouse whitefly, Trialeurodes vaporariorum Westwood (Hemiptera: Aleyrodidae), is known to be affected by plant volatile cues, but its attraction or repellent to specific volatile cues has not been deeply studied yet. Therefore, the aim of our study was to identify the most attractive plant among cultivars of tomato (Solanum lycopersicum) and eggplant (Solanum melongena) to evaluate the volatiles of plants to identify the chemical compound(s) that attract T. vaporariorum. We speculated that whitefly–host plant interaction primarily depends on plant volatile emissions and that once the plant is damaged, it might attract more whiteflies. Three intact (uninfested) tomato, four intact eggplant cultivars and whitefly infested plants of the most whitefly attractive tomato and eggplant cultivars were examined by behavioral assay experiments for attractiveness to T. vaporariorum and headspace volatile were determined by solid-phase microextraction (SPME) and gas chromatography-mass spectrometry. Whiteflies had the highest preference for the intact eggplant Kuai Yuan Qie (KYQ) among the eggplant and the tomato plant cultivars in bioassay experiments. Although both male and female whiteflies were significantly more attracted to infested KYQ plants than to intact plants, whitefly females did not select conspecific-infested YG plants. The volatile emissions among different plant cultivars in individual species and infested versus intact plants were significantly different. Among these volatiles, identified major green leaf volatiles [(Z)-3-hexen-1-ol] and terpenoids [α-pinene, (E)-β-caryophyllene, α-humulene, azulene] showed a constitutive relationship with the most whitefly preference plants. Our findings provide new insights into the chemical compounds that attract or repel whiteflies. PMID:28775733

  17. The Paleobiosphere: a novel device for the in vivo testing of hydrocarbon producing-utilizing microorganisms.

    Science.gov (United States)

    Strobel, Gary; Booth, Eric; Schaible, George; Mends, Morgan Tess; Sears, Joe; Geary, Brad

    2013-04-01

    The construction and testing of a unique instrument, the Paleobiosphere, which mimics some of the conditions of the ancient earth, is described. The instrument provides an experimental testing system for determining if certain microbes, when provided an adequate environment, can degrade biological materials to produce fuel-like hydrocarbons in a relatively short time frame that become trapped by the shale. The conditions selected for testing included a particulate Montana shale (serving as the "Trap Shale"), plant materials (leaves and stems of three extant species whose origins are in the late Cretaceous), a water-circulating system, sterile air, and a specially designed Carbotrap through which all air was passed as exhaust and volatile were hydrocarbons trapped. The fungus for initial testing was Annulohypoxylon sp., isolated as an endophyte of Citrus aurantifolia. It produces, in solid and liquid media, a series of hydrocarbon-like molecules. Some of these including 1,8-cineole, 2-butanone, propanoic acid, 2-methyl-, methyl ester, benzene (1-methylethyl)-, phenylethyl alcohol, benzophenone and azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl), [1S-(1α,7α,8aβ)]. These were the key signature compounds used in an initial Paleobiosphere test. After 3 weeks, incubation, the volatiles associated with the harvested "Trap Shale" included each of the signature substances as well as other fungal-associated products: some indanes, benzene derivatives, some cyclohexanes, 3-octanone, naphthalenes and others. The fungus thus produced a series of "Trap Shale" products that were representative of each of the major classes of hydrocarbons in diesel fuel (Mycodiesel). Initial tests with the Paleobiosphere offer some evidence for a possible origin of hydrocarbons trapped in bentonite shale. Thus, with modifications, numerous other tests can also be designed for utilization in the Paleobiosphere.

  18. Analysis of essential oil of eaglewood tree (Aquilaria agallocha Roxb. by gas chromatography mass spectrometry

    Directory of Open Access Journals (Sweden)

    Mohammad Nazrul Islam Bhuiyan

    2009-06-01

    Full Text Available The study was carried out to find out the differences in composition of oils obtained from healthy, naturally infected and artificially screws wounds eaglewood (Aquilaria agallocha Roxb. using gas chromatography mass spectrometry (GC-MS analysis. Natural healthy plants agar contained octacosane (19.83%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (12.67%, 5-isobutyramido-2-methyl pyrimidine (13.52%, caryophyllene oxide (11.25% and (.+-.-cadinene (5.46%. Natural infected plants agar (super agar contained cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl-1-vinyl- (46.17%, caryophyllene oxide (33.00% and 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene (20.83%. Artificially screw injected plants agar contained diisooctyl phthalate (71.97%, 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta., 7.alpha., 7a.beta., 7b.alpha.]- (9.16%, hexadecanoic acid (7.05%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (6.45% and aristolene (5.36%. This study showed a marked difference in the oil compositions among the treatments with regards to their quality.

  19. Analysis of essential oil of eaglewood tree (Aquilaria agallocha Roxb. by gas chromatography mass spectrometry

    Directory of Open Access Journals (Sweden)

    Mohammad Nazrul Islam Bhuiyan

    2009-03-01

    Full Text Available The study was carried out to find out the differences in composition of oils obtained from healthy, naturally infected and artificially screws wounds eaglewood (Aquilaria agallocha Roxb. using gas chromatography mass spectrometry (GC-MS analysis. Natural healthy plants agar contained octacosane (19.83%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (12.67%, 5-isobutyramido-2-methyl pyrimidine (13.52%, caryophyllene oxide (11.25% and (.+-.-cadinene (5.46%. Natural infected plants agar (super agar contained cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl-1-vinyl- (46.17%, caryophyllene oxide (33.00% and 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene (20.83%. Artificially screw injected plants agar contained diisooctyl phthalate (71.97%, 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta., 7.alpha., 7a.beta., 7b.alpha.]- (9.16%, hexadecanoic acid (7.05%, naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl-, [1R-(1.alpha.,7.beta.,8a.alpha.]- (6.45% and aristolene (5.36%. This study showed a marked difference in the oil compositions among the treatments with regards to their quality.

  20. Tunable THz Generation by the Interaction of a Super-luminous Laser Pulse with Biased Semiconductor Plasma

    International Nuclear Information System (INIS)

    Papadopoulos, K.; Zigler, A.

    2006-01-01

    interaction results in the emission of an electromagnetic wave at the plasma frequency of the ionization front. The device resembles the well-known DARC plasma device with two significant differences. First, the frozen wave is on a semiconductor crystal and not on a gas (Azulene Vapor). Second, the ionizing front is super-luminous. These differences result in a device with superior tunability, efficiency, compactness and flexibility. The paper concludes with examples of THz imaging using the MPCA

  1. Identificação de espécies da família Asteraceae, revisão sobre usos e triagem fitoquímica do gênero Eremanthus da Reserva Boqueirão, Ingaí-MG Asteraceae species identification, use revision and phytochemical screening of Eremanthus genus in Boqueirão Ecological Reserve, Ingaí - Minas Gerais State, Brazil

    Directory of Open Access Journals (Sweden)

    A.O. Ribeiro

    2010-12-01

    humans. The phytochemical screening of the hydroalcoholic extracts indicated the presence of reducing sugars, carbohydrates, amino acids, tannins, flavonoids, glycosides cardiotonics, carotenoids, steroids and triterpenoids, depsides and depsidones, coumarin derivatives, soapy saponins, alkaloids, purines, polysaccharides and anthraquinones. On the other hand, organic acids, catechins, sesquiterpene lactones and azulenes were not detected.

  2. Acaricidal, insecticidal, and larvicidal efficacy of fruit peel aqueous extract of Annona squamosa and its compounds against blood-feeding parasites.

    Science.gov (United States)

    Madhumitha, Gunabalan; Rajakumar, Govindasamy; Roopan, Selvaraj Mohana; Rahuman, Abdul Abdul; Priya, Kanagaraj Mohana; Saral, Antoneyraj Mary; Khan, Fazlur Rahman Nawaz; Khanna, Venkatesh Gopiesh; Velayutham, Kannaiyaram; Jayaseelan, Chidambaram; Kamaraj, Chinnaperumal; Elango, Gandhi

    2012-11-01

    Plant products may be alternative sources of parasitic control agents, since they constitute a rich source of bioactive compounds that are eco-friendly and nontoxic products. The plant extracts are good and safe alternatives due to their low toxicity to mammals and easy biodegradability. In the present study, fruit peel aqueous extract of Annona squamosa (Annonaceae) extracted by immersion method exhibited adulticidal activity against Haemaphysalis bispinosa (Acarina: Ixodidae) and the hematophagous fly, Hippobosca maculata (Diptera: Hippoboscidae), and larvicidal activity against the cattle tick Rhipicephalus (Boophilus) microplus (Acari: Ixodidae), Anopheles subpictus, and Culex quinquefasciatus (Diptera: Culicidae). The chemical composition of A. squamosa fruit peel aqueous extract was analyzed by gas chromatography-mass spectrometry. The major chemical constituent of peel aqueous extract of A. squamosa was identified as 1H- cycloprop[e]azulen-7-ol decahydro-1,1,7-trimethyl-4-methylene-[1ar-(1aα,4aα, 7β, 7 a, β, 7bα)] (28.55%) by comparison of mass spectral data and retention times. The other major constituents present in the aqueous extract were retinal 9-cis- (12.61%), 3,17-dioxo-4-androsten-11alpha-yl hydrogen succinate (6.86%), 1-naphthalenepentanol decahydro-5-(hydroxymethyl)-5,8a-dimethyl-y,2-bis(methylene)-(1α,4aβ,5α,8aα) (14.83%), 1-naphthalenemethanol decahydro -5-(5-hydroxy-3-methyl-3-pentenyl)- 1,4a-di methyl - 6-methylene -(1S-[1α, 4aα, 5α(E), 8aβ] (4.44%), (-)-spathulenol (20.75%), podocarp-7-en-3-one13β-methyl-13-vinyl- (5.98%), and 1-phenanthrene carboxaldehyde 7-ethenyl-1,2,3,4,4a,4,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-[1R-(1α,4aβ.4bα,7β, 10aα)]-(5.98%). The adult and larval parasitic mortalities observed in fruit peel aqueous extract of A. squamosa were 31, 59, 80, 91, and100%; 27, 42, 66, 87, and 100%; and 33, 45, 68, 92, and 100% at the concentrations of 250, 500, 1,000, 1,500, and 2,000 ppm, respectively, against

  3. Atividade Antimicrobiana de Extratos Etanólicos de Peperomia pellucida e Portulaca pilosa

    Directory of Open Access Journals (Sweden)

    LORENA PAULA MERCêS MENDES

    2011-06-01

    antimicrobial activity. In this article we focus on Peperomia pellucida (erva-de-jabuti and Portulaca pilosa (amor crescido, both commonly used in the Amazon. P. pellucida is popularly used as a wound dressing, to stop bleeding, and in cases of abdominal pain and cramps, abscesses, acne, boils, kidney problems, hypertension and raised cholesterol, and P. pilosa as a hepato-protective, antidiarrheal and diuretic and for burns, erysipelas and injuries. In this study, we investigated the phytochemistry and antimicrobial activity of extracts of these two plant materials. Phytochemical screening revealed the presence of reducing sugars, phenols and tannins, steroids and terpenoids, cardiac glycosides and carotenoids in the dried ethanol extract (DEE of P. pilosa and of proteins and amino acids, phenols and tannins, flavonoids, steroids and triterpenoids, azulenes, carotenoids, depsides and depsidones in the P. pellucida DEE. The antimicrobial activity of the ethanol extracts was assayed by the agar disc diffusion method, at concentrations of 500, 250, 125 and 62.5 μg/mL. The plant extracts that showed antimicrobial activity in the preliminary assessment were subjected to the broth microdilution test to determine the minimum inhibitory concentration (MIC. The P. pellucida extract had antimicrobial activity against S. aureus and P. aeruginosa and that of P. pilosa against P. aeruginosa. Keywords: Antimicrobial activity. Peperomia pellucida. Portulaca pilosa. Erva-de-jabuti. Amor-crescido.

  4. Phytotherapy of Acute Respiratory Viral Diseases

    Directory of Open Access Journals (Sweden)

    I.B. Ershova

    2016-11-01

    of acute respiratory viral infections the medicinal plants of several pharmacological groups mainly used are: plants with a tonic effect (plants containing vitamins and minerals — rose hips, black currant, sea buckthorn, citrus fruits, adaptogens and immune modulators should be used in pediatric practice with caution (Ginseng, Rhodiola Rosea, Aralia Manchurian, plants containing biogenic stimulators — the aloe latex, kalanchoe, plant with bactericidal and bacteriostatic effect (sage leaves drug, eucalyptus switchgrass, plants with anti-inflammatory effect, containing tannins — oak bark, Potentilla rhizome, rhizome of Polygonum snake, burnet, alder cones, etc; plants containing essential oils, azulene derivatives — Chamomile flowers; plants containing mucus — Farfara leaves, Plantain; Linden flowers; plants with antipyretic and diaphoretic action — plants containing vitamins (fruits of raspberry, black currant fruit, cranberry; plants containing salicylic acid derivatives — Viola tricolor, raspberry fruit; plants with protective, emollient, expectorant action containing mucus — Farfara leaves; Linden flowers, plantain leaves are large; containing alkaloids, with antitussive effect —codeine phosphate; glaucine hydrochloride grass of Thermopsis lancet; bronchodilators plants; plants with anti-allergic effect, containing flavonoids — herb of Viola tricolor, the roots of Licorice. The article presents the re­commendation of professor O.D. Barnaulov, a pediatric phytotherapist O.A. Daniluk on herbal medicine using in children, the rules of the certain medicinal plants use by Y.I. Korshikova, dosage regimen for herbal remedies for children, proposed by N.P. Menshikova, as well as practical advice on drafting phytospecies for the treatment and prophylaxis of acute respiratory viral infections and prescribing proposed by phytotherapist O.V. Kostareva.

  5. The importance of the marine ornamental reef fish trade in the wider Caribbean

    Directory of Open Access Journals (Sweden)

    A.W Bruckner

    2005-05-01

    establecieron pesquerías a través del Pacífico tropical y los Océanos Índico y Atlántico.Actualmente,45 países suplen los mercados globales con un estimado de 14-30 millones de peces por año,con un valor de US$28- 44 millones.Los mayores exportadores son Indonesia y Filipinas,seguidos por Brasil,Maldivas,Vietnam,Sri Lanka y Hawai.En el Atlántico Occidental tropical,16 países tienen pesquerías de exportación,incluyendo a los Estados Unidos (Florida y Puerto Rico.Estados Unidos es el mayor comprador,seguido de la Unión Europea y Japón. El comercio mundial consiste de más de 1400 especies de peces de arrecife,de las cuales solamente alrededor de 25 son criadas comercialmente.Los peces damiselas, los peces de anémonas y los ángeles,constituyen más del 50%del volumen mundial;mariposas,lábridos,blénidos, góbidos,chanchos,limas,meritos,meros y cabrillas suman el 31%del mercado y el restante 16%está representado por 33 familias.Los peces más importantes del Caribe son los ángeles (seis especies,caballitos de mar (dos especies, bocones,pez chancho reina,blénido de labios rojos, cabeza azul y cromis azul.En la actualidad,el Caribe suple sólo un pequeño porcentaje del mercado mundial de especies ornamentales marinas,sin embargo,las pesquerías ornamentales en esta región representan importantes industrias emergentes.Es crítico que se desarrollen y refuercen planes y regulaciones de manejo efectivos de pesquerías ornamentales y que se recolecte información pesquero-dependiente y pesquero-independiente,que sirva para ser utilizada en los procesos de toma de decisiones,asegurando la sostenibilidad en las pesquerías ornamentales de la región.