WorldWideScience

Sample records for aromatic nucleophilic displacement

  1. Polyimidazoles via aromatic nucleophilic displacement

    Science.gov (United States)

    Connell, John W. (Inventor); Hergenrother, Paul M. (Inventor)

    1992-01-01

    Polyimidazoles (PI) are prepared by the aromatic nucleophilic displacement reaction of di(hydroxyphenyl) imidazole monomers with activated aromatic dihalides or activated aromatic dinitro compounds. The reactions are carried out in polar aprotic solvents such as N,N-dimethyl acetamide, sulfolane, N-methylpyrrolidinone, dimethylsulfoxide, or diphenylsulfone using alkali metal bases such as potassium carbonate at elevated temperatures under nitrogen. The di(hydroxyphenyl) imidazole monomers are prepared by reacting an aromatic aldehyde with a dimethoxybenzil or by reacting an aromatic dialdehyde with a methoxybenzil in the presence of ammonium acetate. The di(methoxyphenyl) imidazole is subsequently treated with aqueous hydrobromic acid to give the di(hydroxphenyl) imidazole monomer. This synthetic route has provided high molecular weight PI of new chemical structure, is economically and synthetically more favorable than other routes, and allows for facile chemical structure variation due to the availability of a large variety of activated aromatic dihalides and dinitro compounds.

  2. Polybenzimidazoles Via Aromatic Nucleophilic Displacement

    Science.gov (United States)

    Connell, John W. (Inventor); Hergerrother, Paul M. (Inventor); Smith, Joseph G., Jr. (Inventor)

    1997-01-01

    Novel molecular weight controlled and endcapped polybenzimidazoles (PBI) are prepared by the aromatic nucleophilic displacement reaction of di(hydroxyphenylbenzimidazole) monomers with activated aromatic dihalides or activated aromatic dinitro compounds. The PBI are endcapped with mono(hydroxyphenyl)benzimidazoles. The polymerizations are carried out in polar aprotic solvents such as N-methyl-2-pyrrolidinone or N,N-dimethylacetamide using alkali metal bases such as potassium carbonate at elevated temperatures under nitrogen. Mono(hydroxyphenyl)benzimidazoles are synthesized by reacting phenyl-4-hydroxybenzoate with aromatic (o-diamine)s in diphenylsulfone. Molecular weight controlled and endcapped PBI of new chemical structures are prepared that exhibit a favorable combination of physical and mechanical properties.

  3. Poly(N-arylenebenzimidazole)s via aromatic nucleophilic displacement

    Science.gov (United States)

    Connell, John W. (Inventor); Hergenrother, Paul M. (Inventor); Smith, Jr., Joseph G. (Inventor)

    1996-01-01

    Novel poly(N-arylenebenzimidazole)s (PNABls) are prepared by the aromatic nucleophilic displacement reaction of novel di(hydroxyphenyl-N-arylene benzimidazole) monomers with activated aromatic dihalides or activated aromatic dinitro compounds. The polymerizations are carried out in polar aprotic solvents such as N-methyl-2-pyrrolidinone or N,N-dimethylacetamide using alkali metal bases such as potassium carbonate at elevated temperatures under nitrogen. The di(hydroxyphenyl-N-arylenebenzimidazole) monomers are synthesized by reacting phenyl-4-hydroxybenzoate with bis(2-aminoanilino)arylenes in diphenylsulfone. Moderate molecular weight PNABIs of new chemical structures were prepared that exhibit a favorable combination of physical and mechanical properties. The use of the novel di(hydroxyphenyI-N-arylenebenzimidazole)s permits a more economical and easier way to prepare PNABIs than previous routes.

  4. Poly(N-arylenbenzimidazoles) via aromatic nucleophilic displacement

    Science.gov (United States)

    Connell, John W. (Inventor); Hergenrother, Paul M. (Inventor); Smith, Joseph G., Jr. (Inventor)

    1995-01-01

    Novel poly(N-arylenebenzimidazole)s (PNABIs) are prepared by the aromatic nucleophilic displacement reaction of novel di(hydroxyphenyl-N-arylene benzimidazole) monomers with activated aromatic dihalides or activated aromatic dinitro compounds. The polymerizations are carried out in polar aprotic solvents such as N-methyl-2-pyrrolidinone or N,N-dimethylacetamide using alkali metal bases such as potassium carbonate at elevated temperatures under nitrogen. The di(hydroxyphenyl N-arylenebenzimidazole) monomers are synthesized by reacting phenyl 4-hydroxybenzoate with bis(2-aminoanilino) arylenes in diphenylsulfone. Moderate molecular weight PNABIs of new chemical structures were prepared that exhibit a favorable combination of physical and mechanical properties. The use of the novel di(hydroxyphenyl N-arylenebenzimidazole)s permits a more economical and easier way to prepare PNABIs than previous routes.

  5. Nucleophilic fluorination of aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  6. Concerted nucleophilic aromatic substitution with 19F‑ and 18F‑

    Science.gov (United States)

    Neumann, Constanze N.; Hooker, Jacob M.; Ritter, Tobias

    2016-06-01

    Nucleophilic aromatic substitution (SNAr) is widely used by organic chemists to functionalize aromatic molecules, and it is the most commonly used method to generate arenes that contain 18F for use in positron-emission tomography (PET) imaging. A wide range of nucleophiles exhibit SNAr reactivity, and the operational simplicity of the reaction means that the transformation can be conducted reliably and on large scales. During SNAr, attack of a nucleophile at a carbon atom bearing a ‘leaving group’ leads to a negatively charged intermediate called a Meisenheimer complex. Only arenes with electron-withdrawing substituents can sufficiently stabilize the resulting build-up of negative charge during Meisenheimer complex formation, limiting the scope of SNAr reactions: the most common SNAr substrates contain strong π-acceptors in the ortho and/or para position(s). Here we present an unusual concerted nucleophilic aromatic substitution reaction (CSNAr) that is not limited to electron-poor arenes, because it does not proceed via a Meisenheimer intermediate. We show a phenol deoxyfluorination reaction for which CSNAr is favoured over a stepwise displacement. Mechanistic insights enabled us to develop a functional-group-tolerant 18F-deoxyfluorination reaction of phenols, which can be used to synthesize 18F-PET probes. Selective 18F introduction, without the need for the common, but cumbersome, azeotropic drying of 18F, can now be accomplished from phenols as starting materials, and provides access to 18F-labelled compounds not accessible through conventional chemistry.

  7. Oxidative nucleophilic aromatic amination of nitrobenzenes.

    Science.gov (United States)

    Khutorianskyi, V V; Sonawane, M; Pošta, M; Klepetářová, B; Beier, P

    2016-06-01

    Nitrobenzenes substituted with electron-acceptor groups such as halogen, nitro, trifluoromethyl, pentafluorosulfanyl, or cyano underwent oxidative nucleophilic substitution with lithium salts of arylamines to afford N-aryl-2-nitroanilines. PMID:27152372

  8. Nucleophilic Aromatic Substitution Between Halogenated Benzene Dopants and Nucleophiles in Atmospheric Pressure Photoionization.

    Science.gov (United States)

    Kauppila, Tiina J; Haack, Alexander; Kroll, Kai; Kersten, Hendrik; Benter, Thorsten

    2016-03-01

    In a preceding work with dopant assisted-atmospheric pressure photoionization (DA-APPI), an abundant ion at [M + 77](+) was observed in the spectra of pyridine and quinoline with chlorobenzene dopant. This contribution aims to reveal the identity and route of formation of this species, and to systematically investigate structurally related analytes and dopants. Compounds containing N-, O-, and S-lone pairs were investigated with APPI in the presence of fluoro-, chloro-, bromo-, and iodobenzene dopants. Computational calculations on a density functional theory (DFT) level were carried out to study the reaction mechanism for pyridine and the different halobenzenes. The experimental and computational results indicated that the [M + 77](+) ion was formed by nucleophilic aromatic ipso-substitution between the halobenzene radical cation and nucleophilic analytes. The reaction was most efficient for N-heteroaromatic compounds, and it was weakened by sterical effects and enhanced by resonance stabilization. The reaction was most efficient with chloro-, bromo-, and iodobenzenes, whereas with fluorobenzene the reaction was scarcely observed. The calculated Gibbs free energies for the reaction between pyridine and the halobenzenes were shown to increase in the order I halogens were shown to detach already during the approach by the nucleophile. Graphical Abstract ᅟ. PMID:26637323

  9. Nucleophilic Aromatic Substitution Between Halogenated Benzene Dopants and Nucleophiles in Atmospheric Pressure Photoionization

    Science.gov (United States)

    Kauppila, Tiina J.; Haack, Alexander; Kroll, Kai; Kersten, Hendrik; Benter, Thorsten

    2016-03-01

    In a preceding work with dopant assisted-atmospheric pressure photoionization (DA-APPI), an abundant ion at [M + 77]+ was observed in the spectra of pyridine and quinoline with chlorobenzene dopant. This contribution aims to reveal the identity and route of formation of this species, and to systematically investigate structurally related analytes and dopants. Compounds containing N-, O-, and S-lone pairs were investigated with APPI in the presence of fluoro-, chloro-, bromo-, and iodobenzene dopants. Computational calculations on a density functional theory (DFT) level were carried out to study the reaction mechanism for pyridine and the different halobenzenes. The experimental and computational results indicated that the [M + 77]+ ion was formed by nucleophilic aromatic ipso-substitution between the halobenzene radical cation and nucleophilic analytes. The reaction was most efficient for N-heteroaromatic compounds, and it was weakened by sterical effects and enhanced by resonance stabilization. The reaction was most efficient with chloro-, bromo-, and iodobenzenes, whereas with fluorobenzene the reaction was scarcely observed. The calculated Gibbs free energies for the reaction between pyridine and the halobenzenes were shown to increase in the order I < Br < Cl < F. The reaction was found endergonic for fluorobenzene due to the strong C-F bonding, and exergonic for the other halobenzenes. For fluoro- and chlorobenzenes the reaction was shown to proceed through an intermediate state corresponding to [M + dopant]+, which was highly stable for fluorobenzene. For the bulkier bromine and iodine, this intermediate did not exist, but the halogens were shown to detach already during the approach by the nucleophile.

  10. Continuous Flow Nucleophilic Aromatic Substitution with Dimethylamine Generated in Situ by Decomposition of DMF

    DEFF Research Database (Denmark)

    Petersen, Trine P; Larsen, Anders Foller; Ritzén, Andreas;

    2013-01-01

    A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported.......A safe, practical, and scalable continuous flow protocol for the in situ generation of dimethylamine from DMF followed by nucleophilic aromatic substitution of a broad range of aromatic and heteroaromatic halides is reported....

  11. Synthesis and nucleophilic aromatic substitution of 3-fluoro-5-nitro-1-(pentafluorosulfanyl)benzene.

    Science.gov (United States)

    Ajenjo, Javier; Greenhall, Martin; Zarantonello, Camillo; Beier, Petr

    2016-01-01

    3-Fluoro-5-nitro-1-(pentafluorosulfanyl)benzene was prepared by three different ways: as a byproduct of direct fluorination of 1,2-bis(3-nitrophenyl)disulfane, by direct fluorination of 4-nitro-1-(pentafluorosulfanyl)benzene, and by fluorodenitration of 3,5-dinitro-1-(pentafluorosulfanyl)benzene. The title compound was subjected to a nucleophilic aromatic substitution of the fluorine atom with oxygen, sulfur and nitrogen nucleophiles affording novel (pentafluorosulfanyl)benzenes with 3,5-disubstitution pattern. Vicarious nucleophilic substitution of the title compound with carbon, oxygen, and nitrogen nucleophiles provided 3-fluoro-5-nitro-1-(pentafluorosulfanyl)benzenes substituted in position four. PMID:26977178

  12. Synthesis and nucleophilic aromatic substitution of 3-fluoro-5-nitro-1-(pentafluorosulfanyl)benzene

    Czech Academy of Sciences Publication Activity Database

    Ajenjo, Javier; Greenhall, M.; Zarantonello, C.; Beier, Petr

    2016-01-01

    Roč. 12, Feb 3 (2016), s. 192-197. ISSN 1860-5397 EU Projects: European Commission(XE) 607787 - FLUOR21 Institutional support: RVO:61388963 Keywords : direct fluorination * fluorine * nucleophilic aromatic substitution * pentafluorosulfanyl group * vicarious nucleophilic substitution Subject RIV: CC - Organic Chemistry Impact factor: 2.762, year: 2014 http://www.beilstein-journals.org/bjoc/single/articleFullText.htm?publicId=1860-5397-12-21

  13. Synthesis of a Fluorescent Acridone Using a Grignard Addition, Oxidation, and Nucleophilic Aromatic Substitution Reaction Sequence

    Science.gov (United States)

    Goodrich, Samuel; Patel, Miloni; Woydziak, Zachary R.

    2015-01-01

    A three-pot synthesis oriented for an undergraduate organic chemistry laboratory was developed to construct a fluorescent acridone molecule. This laboratory experiment utilizes Grignard addition to an aldehyde, alcohol oxidation, and iterative nucleophilic aromatic substitution steps to produce the final product. Each of the intermediates and the…

  14. Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides

    Directory of Open Access Journals (Sweden)

    Magnus Liljenberg

    2013-04-01

    Full Text Available A computational approach using density functional theory to compute the energies of the possible σ-complex reaction intermediates, the “σ-complex approach”, has been shown to be very useful in predicting regioselectivity, in electrophilic as well as nucleophilic aromatic substitution. In this article we give a short overview of the background for these investigations and the general requirements for predictive reactivity models for the pharmaceutical industry. We also present new results regarding the reaction rates and regioselectivities in nucleophilic substitution of fluorinated aromatics. They were rationalized by investigating linear correlations between experimental rate constants (k from the literature with a theoretical quantity, which we call the sigma stability (SS. The SS is the energy change associated with formation of the intermediate σ-complex by attachment of the nucleophile to the aromatic ring. The correlations, which include both neutral (NH3 and anionic (MeO− nucleophiles are quite satisfactory (r = 0.93 to r = 0.99, and SS is thus useful for quantifying both global (substrate and local (positional reactivity in SNAr reactions of fluorinated aromatic substrates. A mechanistic analysis shows that the geometric structure of the σ-complex resembles the rate-limiting transition state and that this provides a rationale for the observed correlations between the SS and the reaction rate.

  15. Very Efficient Nucleophilic Aromatic Fluorination Reaction in Molten Salts: A Mechanistic Study

    International Nuclear Information System (INIS)

    We report a quantum chemical study of an extremely efficient nucleophilic aromatic fluorination in molten salts. We describe that the mechanism involves solvent anion interacting with the ion pair nucleophile M+F- (M = Na, K, Rb, Cs) to accelerate the reaction. We show that our proposed mechanism may well explain the excellent efficiency of molten salts for SNAr reactions, the relative efficacy of the metal cations, and also the observed large difference in rate constants in two molten salts (n-C4H9)4N+ CX3SO3-, (X=H, F) with slightly different sidechain (-CH3 vs. -CF3)

  16. 4-Trifluoromethyl-p-quinols as dielectrophiles: three-component, double nucleophilic addition/aromatization reactions

    Science.gov (United States)

    Dong, Jinhuan; Shi, Lou; Pan, Ling; Xu, Xianxiu; Liu, Qun

    2016-06-01

    In recent years, numerous methods have emerged for the synthesis of trifluoromethylated arenes based on the late-stage introduction of a trifluoromethyl group onto an aryl ring. In sharp comparison, the synthesis of trifluoromethylated arenes based on the pre-introduction of a trifluoromethyl group onto an “aromatic to be” carbon has rarely been addressed. It has been found that 4-trifluoromethyl-p-quinol silyl ethers, the readily available and relatively stable compounds, can act as dielectrophiles to be applied to multi-component reactions for the synthesis of various trifluoromethylated arenes. Catalyzed by In(OTf)3, 4-trifluoromethyl-p-quinol silyl ethers react with C-, N-, and S-nucleophiles, respectively, in a regiospecific 1,2-addition manner to generate the corresponding highly reactive electrophilic intermediates. Further reaction of the in-situ generated electrophiles with a C-nucleophile followed by spontaneous aromatization enables the construction of functionalized trifluoromethyl arenes. This three-component, double nucleophilic addition/aromatization reaction based on the pre-introduction of a trifluoromethyl group onto an “aromatic to be” carbon provides a divergent strategy for the synthesis of trifluoromethylated arenes under mild reaction conditions in a single operation.

  17. Aqueous oxidation of sulfonamide antibiotics: aromatic nucleophilic substitution of an aniline radical cation.

    Science.gov (United States)

    Tentscher, Peter R; Eustis, Soren N; McNeill, Kristopher; Arey, J Samuel

    2013-08-19

    Sulfonamide antibiotics are an important class of organic micropollutants in the aquatic environment. For several, sulfur dioxide extrusion products have been previously reported upon photochemical or dark oxidation. Using quantum chemical modeling calculations and transient absorption spectroscopy, it is shown that single-electron oxidation from sulfadiazine produces the corresponding aniline radical cation. Density functional theory calculations indicate that this intermediate can exist in four protonation states. One species exhibits a low barrier for an intramolecular nucleophilic attack at the para position of the oxidized aniline ring, in which a pyrimidine nitrogen acts as a nucleophile. This attack can lead to a rearranged structure, which exhibits the same connectivity as the SO2 -extruded oxidation product that was previously observed in the aquatic environment and characterized by NMR spectroscopy. We report a detailed reaction mechanism for this intramolecular aromatic nucleophilic substitution, and we discuss the possibility of this reaction pathway for other sulfonamide drugs. PMID:23828254

  18. The Element Effect Revisited: Factors Determining Leaving Group Ability in Activated Nucleophilic Aromatic Substitution Reactions

    OpenAIRE

    Senger, Nicholas A.; Bo, Bo; Cheng, Qian; Keeffe, James R.; Gronert, Scott; Wu, Weiming

    2012-01-01

    The “element effect” in nucleophilic aromatic substitution reactions (SNAr) is characterized by the leaving group order, F > NO2 > Cl ≈ Br > I, in activated aryl halides. Multiple causes for this result have been proposed. Experimental evidence shows that the element effect order in the reaction of piperidine with 2,4-dinitrophenyl halides in methanol is governed by the differences in enthalpies of activation. Computational studies of the reaction of piperidine and dimethylamine with the same...

  19. Regioselective Nucleophilic Aromatic Substitution of 2,6-Bis-(1,2,3-Triazolyl)-Purine Derivatives with Various Nucleophiles

    OpenAIRE

    Novosjolova, I; Bizdēna, Ē; Turks, M

    2013-01-01

    A novel class of bis-triazolyl purine nucleosides were obtained from 2,6-diazido precursors via copper (I) catalyzed azide-alkyne cycloaddition. These intermediates appeared to be very reactive towards N- and S-nucleophiles and thus selectively gave C(6)-substituted analogs with triazolyl moiety at C(2)-position. The obtained 2-triazolyl purine derivatives exhibit interesting fluorescence properties.

  20. Preparation of SF5 Aromatics by Vicarious Nucleophilic Substitution Reactions of Nitro(pentafluorosulfanyl)benzenes with Carbanions

    Czech Academy of Sciences Publication Activity Database

    Beier, Petr; Pastýříková, Tereza; Iakobson, George

    2011-01-01

    Roč. 76, č. 11 (2011), s. 4781-4786. ISSN 0022-3263 Institutional research plan: CEZ:AV0Z40550506 Keywords : sulfur pentafluorides * vicarious nucleophilic aromatic substitution * nitrobenzenes Subject RIV: CC - Organic Chemistry Impact factor: 4.450, year: 2011

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

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yu-Shin; Fowler, J.S.; Wolf, A.P.

    1991-12-31

    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 includes the step of reacting aromatic nitro aldehydes having a suitably protected hydroxyl substituent on an electron rich ring. The reaction is carried out by nucleophilic aromatic substitution with a no-carrier-added (NCA) [{sup 18}F]fluoride ion. The method can be used to synthesize various no-carrier-added aryl [{sup 18}F]fluoride compositions, including 6-[{sup 18}F]fluoro-L-DOPA, 2-[{sup 18}F]fluorotyrosine, 6-[{sup 18}F]fluoronorepinephrine, and 6-[{sup 18}F]fluorodopamine. In those instances when a racemic mixture of enantiomers is produced by the present invention, such as in the synthesis of 6-[{sup 18}F]fluoronorepinephrine, a preferred method also includes resolution of the racemic mixture on a chiral HPLC column. This procedure results in a high yield of enantiomerically pure [{sup 18}F] labeled isomers, for example [-]-6-[{sup 18}F]fluoronorepinephrine and [+]-6-[{sup 18}F]fluoronorepinephrine.

  2. A quantitative approach to nucleophilic organocatalysis

    Directory of Open Access Journals (Sweden)

    Herbert Mayr

    2012-09-01

    Full Text Available The key steps in most organocatalytic cyclizations are the reactions of electrophiles with nucleophiles. Their rates can be calculated by the linear free-energy relationship log k(20 °C = sN(E + N, where electrophiles are characterized by one parameter (E and nucleophiles are characterized by the solvent-dependent nucleophilicity (N and sensitivity (sN parameters.Electrophilicity parameters in the range –10 E N N parameters of enamines derived from phenylacetaldehyde and MacMillan’s imidazolidinones one can rationalize why only strong electrophiles, such as stabilized carbenium ions (–8 E E = –6.75, are suitable electrophiles for enamine activated reactions with imidazolidinones. Several mechanistic controversies concerning iminium and enamine activated reactions could thus be settled by studying the reactivities of independently synthesized intermediates.Kinetic investigations of the reactions of N-heterocyclic carbenes (NHCs with benzhydrylium ions showed that they have similar nucleophilicities to common organocatalysts (e.g., PPh3, DMAP, DABCO but are much stronger (100–200 kJ mol–1 Lewis bases. While structurally analogous imidazolylidenes and imidazolidinylidenes have comparable nucleophilicities and Lewis basicities, the corresponding deoxy Breslow intermediates differ dramatically in reactivity. The thousand-fold higher nucleophilicity of 2-benzylidene-imidazoline relative to 2-benzylidene-imidazolidine is explained by the gain of aromaticity during electrophilic additions to the imidazoline derivatives. O-Methylated Breslow intermediates are a hundred-fold less nucleophilic than deoxy Breslow intermediates.

  3. A comparison of the incorporation of 123I and 18F into 1-[1-(3-hydroxyphenyl) cyclohexyl]-4-(methanesulfonyloxy)piperidine by nucleophilic displacement with 123I- and 18F-

    International Nuclear Information System (INIS)

    Unlabelled and labelled 4-fluoro- and 4-iodo-1-[1-(3-hydroxyphenyl) cyclohexyl]piperidines (3 and 4, respectively), derivatives of phencyclidine, were synthesized in 3-steps via nucleophilic displacement reaction of 1-[1-(3-hydroxyphenyl)cyclohexyl]-4-(methanesulfonyloxy)piperidine (8). The displacement reaction with 3 molar equivalents of Bu4N+1- gave 58% of 4 with no detectable methanesulfonate elimination. Reaction of a large excess of 8 with Na123l-under similar conditions gave up to 40% yield of [123I]8. In contrast reaction of 8 with 3 molar equivalents of unlabelled Bu4N+F- in refluxing acetonitrile yielded only 3.1% of 3 and 97% of elimination product. Similarly, reaction of a large excess of 8 with Bu4N+18F-at 80oC in acetonitrile failed to yield detectable quantities of [18F]3. However, low (0.4%) yields of [18F]3 were obtained using 18F- in the presence of varying proportions of inorganic base and Krytofix in acetonitrile. (author)

  4. Sparing the ortho-position in nucleophilic aromatic substitution-specific displacement of the 4-SePh group in 2,4-bis(phenylseleno)nitrobenzene

    DEFF Research Database (Denmark)

    Stuhr-Hansen, Nicolai; Götze, Thorstein Finn; Henriksen, Lars; Sølling, Theis Ivan; Langkilde, Annette; Sørensen, Henning Osholm

    2009-01-01

    Upon treatment of o- and p(phenylseleno,)nitrobenzenes with sodium methoxide quantitative exchange reactions took place, affording the corresponding methoxynitrobenzenes. Upon reaction between 2,4-bis(phenylseleno)nitrobenzene 2 and sodium methoxide, an unusual regiopure formation of 4-methoxy-2......-(phenylseleno)nitrobenzene 3 was observed. This product remained unreactive toward an excess of sodium methoxide, thus preventing the for-mation of 2,4-dimethoxynitrobenzene 6. The nature of the reactants and of the intermediate Meisenheimer complexes was examined by synthetic investigations, x...

  5. XVIII Mendeleev congress on general and applied chemistry. Summaries of reports in five volumes. Volume 5. IV Russian-French symposium Supramolecular systems in chemistry and biology. II Russian-Indian symposium on organic chemistry. International symposium on present-day radiochemistry Radiochemistry: progress and prospects. International symposium Green chemistry, stable evolution and social responsibility of chemists. Symposium Nucleophilic hydrogen substitution in aromatic systems and related reactions

    International Nuclear Information System (INIS)

    The 5 volume of the XVIII Mendeleev congress on general and applied chemistry includes summaries of reports on the subjects of sypramolecular systems in chemistry and biology, organic chemistry, modern radiochemistry, green chemistry - development and social responsibility of chemists, nucleophilic hydrogen substitution in aromatic systems and related chemical reactions

  6. Nucleophilic substitution as a mechanism of atrazine sequestration in soil

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Junhe, E-mail: jhlu@njau.edu.cn [Department of Environmental Science and Engineering, Nanjing Agricultural University, Nanjing 210095 (China); Shao, Juan [Department of Environmental Science and Engineering, Nanjing Agricultural University, Nanjing 210095 (China); Kong, Deyang [Nanjing Institute of Environmental Science, Ministry of Environmental Protection of PRC, Nanjing 210042 (China)

    2015-03-02

    Highlights: • Atrazine tends to form nonextractable bound residue in soil. • Nucleophilic substitution is a pathway leading to atrazine sequestration in soil. • Sulfur containing amino acids are likely to play an important role as nucleophiles during this process. - Abstract: Formation of nonextractable residue was widely observed as a sink of atrazine (ATZ) in soil. However, the mechanisms by which ATZ binds to soil organic matter remain unclear. In this study, we demonstrated that neucleophilic substitution could serve an important pathway causing ATZ sequestration. The carbon bonded to the chlorine in ATZ molecule is partially positively charged due to the strong electronegativity of chlorine and is susceptible to the attack of nucleophiles such as aniline. Since aromatic amines are relatively rare in natural soils, amino acids/peptides were hypothesized to act as the main nucleophiles in real environment. However, substantially ATZ transformation was only observed in the presence of those species containing thiol functionality. Thus, we speculated that it was the thiol group in amino acids/peptides acting as the nucleophile. Nitrogen in amino acids was in fact not an active nucleophile toward ATZ. In addition to the sulfur-containing amino acids, other thiol compounds, and sulfide were also proved to be reactive to ATZ. Thus, the sequestration potential of ATZ probably correlates to the availability of thiol compounds in soil.

  7. Kinetic Study on Nucleophilic Displacement Reactions of Y-Substituted-Phenyl 2-Methylbenzoates with Cyclic Secondary Amines in Acetonitrile: Effects of Modification of 2-MeO in Benzoyl Moiety by 2-Me on Reactivity and Reaction Mechanism

    International Nuclear Information System (INIS)

    The second-order rate constants (kN) have been measured spectrophotometrically for nucleophilic substitution reactions of Y-substituted-phenyl 2-methylbenzoates (6a-e) with a series of cyclic secondary amines in MeCN at 25.0 ± 0.1 .deg. C. Comparison of the kN values for the reactions of 4-nitrophenyl 2-methylbenzoate (6d) with those reported previously for the corresponding reactions of 4-nitrophenyl 2-methoxybenzoate (5) reveals that 6d is significantly less reactive than 5, indicating that modification of 2-MeO in the benzoyl moiety of 5 by 2-Me (i. e., 5 → 6d) causes a significant decrease in reactivity. This supports our previous report that aminolysis of 5 proceeds through a six-membered cyclic intermediate, which is highly stabilized through intramolecular H-bonding interactions. The Brφnsted-type plot for the reactions of 6d with a series of cyclic secondary amines is linear with βnuc = 0.71, which appears to be a lower limit of βnuc for a stepwise mechanism with breakdown of an intermediate (T±) being rate-determining step (RDS). The Brφnsted-type plot for the reactions of 6a-e with piperidine is curved, i. e., the slope of Brφnsted-type plot (βlg) decreases from -1.05 to -0.41 as the leaving-group basicity decreases. The nonlinear Brφnsted-type plot has been taken as evidence for a stepwise mechanism with a change in RDS (e. g., from the k2 step to the k1 process as the leaving-group basicity decreases). Dissection of kN into the microscopic rate constants associated with the reactions of 6a-e with piperidine (e. g., k1 and k2/k-1 ratio) also supports the proposed mechanism

  8. Conjugate Addition of Nucleophiles to the Vinyl Function of 2-Chloro-4-vinylpyrimidine Derivatives

    Directory of Open Access Journals (Sweden)

    Lucjan Strekowski

    2010-03-01

    Full Text Available Conjugate addition reaction of various nucleophiles across the vinyl group of 2-chloro-4-vinylpyrimidine, 2-chloro-4-(1-phenylvinylpyrimidine and 2-chloro-4-vinylquinazoline provides the corresponding 2-chloro-4-(2-substituted ethylpyrimidines and 2-chloro-4-(2-substituted ethylquinazolines. Treatment of these products, without isolation, with N-methylpiperazine results in nucleophilic displacement of chloride and yields the corresponding 2,4-disubstituted pyrimidines and quinazolines.

  9. Oxidative nucleophilic substitution of hydrogen in nitro(pentafluorosulfanyl)benzenes with alkyl Grignard and lithium reagents

    Czech Academy of Sciences Publication Activity Database

    Vida, Norbert; Beier, Petr

    2012-01-01

    Roč. 143, SI (2012), s. 130-134. ISSN 0022-1139 R&D Projects: GA ČR GAP207/12/0072 Institutional support: RVO:61388963 Keywords : pentafluorosulfanyl group * nucleophilic aromatic substitutions * oxidations Subject RIV: CC - Organic Chemistry Impact factor: 1.939, year: 2012

  10. Detection of Electrophilic and Nucleophilic Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    McElhanon, James R. (Manteca, CA); Shepodd, Timothy J. (Livermore, CA)

    2008-11-11

    A "real time" method for detecting electrophilic and nucleophilic species generally by employing tunable, precursor sensor materials that mimic the physiological interaction of these agents to form highly florescent berberine-type alkaloids that can be easily and rapidly detected. These novel precursor sensor materials can be tuned for reaction with both electrophilic (chemical species, toxins) and nucleophilic (proteins and other biological molecules) species.

  11. Nucleophilic addition of nitriles to secondary terpene alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Kozlov, N.G.; Popova, L.A.; Nesterov, G.V.

    1987-01-10

    The addition of nitriles of varying nucleophilicity to isocamphanol and exo-1,5,5-trimethyl-bicyclo(2.2.1)heptan-2-ol (isofenchol) was investigated. The authors examined the effect of the reaction conditions on the yield and structure of the target products of the reaction: N-substituted amides. As a result of the study, it was shown that in the reaction with chloroacetonitrile, propionitrile, methoxypropionitrile, isovaleronitrile, and phenylacetonitrile under the conditions of the Ritter reaction, isocamphanol is transformed into the corresponding substituted exo-N-acyl-1,7,7-trimethylbicyclo(2.2.1)hept-2-ylamines, as in the reaction with aceto- and benzonitriles, due to 2,6-hydride displacement accompanied by Wagner-Meerwein rearrangement. The structures of these amides were demonstrated by PMR spectroscopy.

  12. Nucleophilic addition of nitriles to secondary terpene alcohols

    International Nuclear Information System (INIS)

    The addition of nitriles of varying nucleophilicity to isocamphanol and exo-1,5,5-trimethyl-bicyclo[2.2.1]heptan-2-ol (isofenchol) was investigated. The authors examined the effect of the reaction conditions on the yield and structure of the target products of the reaction: N-substituted amides. As a result of the study, it was shown that in the reaction with chloroacetonitrile, propionitrile, methoxypropionitrile, isovaleronitrile, and phenylacetonitrile under the conditions of the Ritter reaction, isocamphanol is transformed into the corresponding substituted exo-N-acyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylamines, as in the reaction with aceto- and benzonitriles, due to 2,6-hydride displacement accompanied by Wagner-Meerwein rearrangement. The structures of these amides were demonstrated by PMR spectroscopy

  13. Detection of electrophilic and nucleophilic chemical agents

    Energy Technology Data Exchange (ETDEWEB)

    McElhanon, James R.; Shepodd, Timothy J.

    2014-08-12

    A "real time" method for detecting chemical agents generally and particularly electrophilic and nucleophilic species by employing tunable, precursor sensor materials that mimic the physiological interaction of these agents to form highly florescent berberine-type alkaloids that can be easily and rapidly detected. These novel precursor sensor materials can be tuned for reaction with both electrophilic (chemical species, toxins) and nucleophilic (proteins and other biological molecules) species. By bonding or otherwise attaching these precursor molecules to a surface or substrate they can be used in numerous applications.

  14. The Remarkable Reactivity of Aryl Halides with Nucleophiles

    Science.gov (United States)

    Bunnett, Joseph F.

    1974-01-01

    Discusses the reactivity of aryl halides with nucleophilic or basic reagents, including nucleophilic attacks on carbon, hydrogen, halogen, and arynes. Suggestions are made concerning revisions of the sections on aryl halide chemistry courses and the corresponding chapters in textbooks. (CC)

  15. Study of quinones reactions with wine nucleophiles by cyclic voltammetry.

    Science.gov (United States)

    Oliveira, Carla M; Barros, António S; Ferreira, António C S; Silva, Artur M S

    2016-11-15

    Quinones are electrophilic species which can react with various nucleophiles, like wine antioxidants, such as sulfur dioxide or ascorbic acid, thiols, amino acids, and numerous polyphenols. These reactions are very important in wine aging because they mediate oxygen reactions during both production and bottle aging phases. In this work, the major challenge was to determine the interaction between ortho-quinones and wine nucleophiles (amino acids, thiols, and the antioxidants SO2 and ascorbic acid), by cyclic voltammetry. Wine-model solutions with gallic acid, caffeic acid, or (+)-catechin and nucleophilic compounds were used. To understand the effect of nucleophilic addition in wine, a white wine with the same added nucleophiles was also analysed. Cyclic voltammograms were taken with glassy carbon electrode or screen-printed carbon electrodes, respectively, for wine-model and white wines solutions, in the absence and in the presence of nucleophiles. A nucleophilic order profile related to the cathodic current intensity decrease was observed. PMID:27283600

  16. Direct no-carrier-added {sup 18}F-labelling of arenes via nucleophilic substitution on aryl(2-thienyl)iodonium salts

    Energy Technology Data Exchange (ETDEWEB)

    Ross, T.L.

    2006-01-15

    For in vivo imaging of molecular processes via positron emission tomography (PET) radiotracers of high specific activity are demanded. In case of the most commonly used positron emitter fluorine-18, this is only achievable with no-carrier-added [{sup 18}F]fluoride, which implies nucleophilic methods of {sup 18}F-substitution. Whereas electron deficient aromatic groups can be labelled in one step using no-carrier-added [{sup 18}F]fluoride, electron rich {sup 18}F-labelled aromatic molecules are only available by multi-step radiosyntheses or carrier-added electrophilic reactions. Here, diaryliodonium salts represent an alternative, since they have been proven as potent precursor for a direct nucleophilic {sup 18}F-introduction into aromatic molecules. Furthermore, as known from non-radioactive studies, the highly electron rich 2-thienyliodonium leaving group leads to a high regioselectivity in nucleophilic substitution reactions. Consequently, a direct nucleophilic no-carrier-added {sup 18}F-labelling of electron rich arenes via aryl(2-thienyl)iodonium precursors was developed in this work. The applicability of direct nucleophilic {sup 18}F-labelling was examined in a systematic study on eighteen aryl(2-thienyl)iodonium salts. As electron rich precursors the ortho-, meta- and para-methoxyphenyl(2-thienyl)iodonium bromides, iodides, tosylates and triflates were synthesised. In addition, para-substituted (R=BnO, CH{sub 3}, H, Cl, Br, I) aryl(2-thienyl)iodonium bromides were prepared as precursors with a systematically varying electron density. As first approach, the general reaction conditions of the nucleophilic {sup 18}F-substitution procedure were optimised. The best conditions for direct nucleophilic no-carrier-added {sup 18}F-labelling via aryl(2-thienyl)iodonium salts were found with dimethylformamide as solvent, a reaction temperature of 130{+-}3 C and 25 mmol/l as concentration of the precursor. (orig.)

  17. Direct no-carrier-added 18F-labelling of arenes via nucleophilic substitution on aryl(2-thienyl)iodonium salts

    International Nuclear Information System (INIS)

    For in vivo imaging of molecular processes via positron emission tomography (PET) radiotracers of high specific activity are demanded. In case of the most commonly used positron emitter fluorine-18, this is only achievable with no-carrier-added [18F]fluoride, which implies nucleophilic methods of 18F-substitution. Whereas electron deficient aromatic groups can be labelled in one step using no-carrier-added [18F]fluoride, electron rich 18F-labelled aromatic molecules are only available by multi-step radiosyntheses or carrier-added electrophilic reactions. Here, diaryliodonium salts represent an alternative, since they have been proven as potent precursor for a direct nucleophilic 18F-introduction into aromatic molecules. Furthermore, as known from non-radioactive studies, the highly electron rich 2-thienyliodonium leaving group leads to a high regioselectivity in nucleophilic substitution reactions. Consequently, a direct nucleophilic no-carrier-added 18F-labelling of electron rich arenes via aryl(2-thienyl)iodonium precursors was developed in this work. The applicability of direct nucleophilic 18F-labelling was examined in a systematic study on eighteen aryl(2-thienyl)iodonium salts. As electron rich precursors the ortho-, meta- and para-methoxyphenyl(2-thienyl)iodonium bromides, iodides, tosylates and triflates were synthesised. In addition, para-substituted (R=BnO, CH3, H, Cl, Br, I) aryl(2-thienyl)iodonium bromides were prepared as precursors with a systematically varying electron density. As first approach, the general reaction conditions of the nucleophilic 18F-substitution procedure were optimised. The best conditions for direct nucleophilic no-carrier-added 18F-labelling via aryl(2-thienyl)iodonium salts were found with dimethylformamide as solvent, a reaction temperature of 130±3 C and 25 mmol/l as concentration of the precursor. (orig.)

  18. Job Displacement

    OpenAIRE

    Lori G. Kletzer

    1998-01-01

    The past decade and a half has seen tremendous research growth in the area of job displacement. This paper discusses the state of knowledge on the issues and questions of job loss. The 1984-96 Displaced Worker Surveys are used to describe how the characteristics of displacement are changing to include more college educated, white collar, and nonmanufacturing workers. For many workers, the long-term earnings losses following displacement are large due to the loss of firm-specific human capital...

  19. Studies on the Nucleophilicity and Scavenge of Superoxide Ion by Cyclic Voltammetry

    Institute of Scientific and Technical Information of China (English)

    WeiYing-liang; DangXue-ping; HuSheng-shui

    2003-01-01

    Superoxide ion was generated by the electro-chemical reduction of oxygen at a platinum electrode in dimethylsulphoxide (DMSO). This work was focused on the nucleophilicity and scavenge of electrogenemted-superoxide ion by cyclic voltammetry. The nucleophilic displacement reactions of superoxide ion with ethyl acetate and diethyl adipate were discussed and the reason for remarkable influence of diethyl adipate was elucidated. The scavenging activity of ascorbic acid was evaluated and the result allowed the conclusion that the scavenging ability of ascorbic acid is much lower in DMSO than in aqueous phasc UV-spectrum of electrogenerated superoxide ion in DMSO exhibited a single absorption band with λmax at 275 nm, which certified further that the method of electrogeneration was reliable and superoxide ion was stable in DMSO.

  20. Studies on the Nucleophilicity and Scavenge of Superoxide Ion by Cyclic Voltammetry

    Institute of Scientific and Technical Information of China (English)

    Wei Ying-liang; Dang Xue-ping; Hu Sheng-shui

    2003-01-01

    Superoxide ion was generated by the electrochemical reduction of oxygen at a platinum electrode in dimethylsulphoxide (DMSO). This work was focused on the nucleophilicity and scavenge of electrogenerated-superoxide ion by cyclic voltammetry. The nucleophilic displacement reactions of superoxide ion with ethyl acetate and diethyl adipate were discussed and the reason for remarkable influence of diethyl adipate was elucidated. The scavenging activity of ascorbic acid was evaluated and the result allowed the conclusion that the scavenging ability of ascorbic acid is much lower in DMSO than in aqueous phase. UV-spectrum of electrogenerated superoxide ion in DMSO exhibited a single absorption band with λmax at 275 nm, which certified further that the method of electrogeneration was reliable and superoxide ion was stable in DMSO.

  1. 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres.

    Science.gov (United States)

    Wu, Di; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei

    2015-01-01

    The seminal discovery in 1865 by Kekulé that benzene nucleus exists with cyclic skeleton is considered to be the beginning of aromatic chemistry. Since then, a myriad of cyclic molecules displaying aromatic property have been synthesized. Meanwhile, borazine (B3N3H6), despite the isostructural and isoelectronic relationships with benzene, exhibits little aromaticity. Herein, we report the synthesis of a 1,3,2,5-diazadiborinine (B2C2N2R6) derivative, a hybrid inorganic/organic benzene, and we present experimental and computational evidence for its aromaticity. In marked contrast to the reactivity of benzene, borazine, and even azaborinines previously reported, 1,3,2,5-diazadiborinine readily forms the adducts with methyl trifluoromethanesulfonate and phenylacetylene without any catalysts. Moreover, 1,3,2,5-diazadiborine activates carbon dioxide giving rise to a bicycle[2,2,2] product, and the binding process was found to be reversible. These results, thus, demonstrate that 1,3,2,5-diazadiborinine features both nucleophilic and electrophilic boron centres, with a formal B(+I)/B(+III) mixed valence system, in the aromatic six-membered B2C2N2 ring. PMID:26073993

  2. Electrochemical radiofluorination. Labeling of benzene with [18F]fluoride by nucleophilic substitution

    International Nuclear Information System (INIS)

    18F-labeling of aromatic compounds normally is achieved by electrophilic substitution. In that case [18F]fluoride cannot be applied although it is produced very efficiently at medical cyclotrons. By the use of electrochemical methods, however, benzene can be oxidized and thus, the electron density is reduced in a way that nucleophilic attack of [18F]fluoride occurs. For the first time benzene was shown to be labeled with [18F]fluoride after being electrochemically oxidized in a 2 ml electrolysis cell with 0.033M Et3N x 3HF and 0.066M Et3N x HCl in CH3CN and benzene in various concentrations. After 50 Coulombs (60-90 min) maximum of labeling was reached. With the highest concentration of aromatic compound (1.0M) the radiochemical yields were 16±9% with specific activities up to 27 GBq/mmol. (author)

  3. Displacing use

    DEFF Research Database (Denmark)

    Kelly, Janet; Matthews, Ben

    2014-01-01

    This paper critically discusses the concept of use in design, suggesting that relevant relationships other than use are sometimes obscured by the usercentredness of design processes. We present a design case from the medical device domain that displaced the concept of use from the centre of a hum...

  4. Displacement Ventilation

    DEFF Research Database (Denmark)

    Bjørn, Erik; Mattsson, Magnus; Sandberg, Mats;

    Full-scale experiments were made in a displacement ventilated room with two breathing thermal manikins to study the effect of movements and breathing on the vertical contaminant distribution, and on the personal exposure of occupants. Concentrations were measured with tracer gas equipment in the...

  5. Nucleophilic addition of amines to the activated ethylene bond in non-aqueous media

    International Nuclear Information System (INIS)

    The kinetics of addition of a number of primary and secondary aliphatic amines to trans-(2-furyl) nitro ethylene (1) has been studied in solvents of various polarities (from acetonitrile, ε 37.5, to heptane, ε 1.89). It has been shown that the reaction is catalysed both by the amine reagent and by tertiary amines. On the basis of analyzing the observed kinetic regularities a stepwise reaction mechanism has been proposed which involves formation of zwitterionic intermediate (3) at the first equilibrium step (k1, K1) which is then converted into the reaction product by means of proton transfer in parallel routes, the non-catalytic one (k2) and that catalysed by the initial (K3) or tertiary (K4) amine. The observed high values of the deuterium isotope effects in the reaction (KH/KD ∼ 2.3 - 8.9) confirm that proton transfer occurs in the rate-limiting step of the reaction (primary kinetic isotope effect). The third order by amine kinetic route is observed in low polar media which is due to participation of amine dimers (R2 NH HNR2) in the reaction. The observed kinetic regularities are compared with those for the nucleophilic aromatic substitution reactions in low-polar media, and the conclusion has been made that the reaction route of the third order by amine proceeds as reversible nucleophilic attack by amine dimer and following base-catalysed transformation of the intermediate into the product. (author)

  6. Tandem Cu-catalyzed ketenimine formation and intramolecular nucleophile capture: Synthesis of 1,2-dihydro-2-iminoquinolines from 1-(o-acetamidophenyl)propargyl alcohols

    OpenAIRE

    Gadi Ranjith Kumar; Yalla Kiran Kumar; Ruchir Kant; Maddi Sridhar Reddy

    2014-01-01

    The copper-catalyzed ketenimine formation reaction of 1-(o-acetamidophenyl)propargyl alcohols with various sulfonyl azides is found to undergo a concomitant intramolecular nucleophile attack to generate 1,2-dihydro-2-iminoquinolines after aromatization (via elimination of acetyl and hydroxy groups) and tautomerization. The reaction produces 4-substituted and 3,4-unsubstituted title compounds in moderate to good yields under mild reaction conditions.

  7. Tandem Cu-catalyzed ketenimine formation and intramolecular nucleophile capture: Synthesis of 1,2-dihydro-2-iminoquinolines from 1-(o-acetamidophenyl)propargyl alcohols

    OpenAIRE

    Kumar, Gadi Ranjith; Kumar, Yalla Kiran; Kant, Ruchir; Reddy, Maddi Sridhar

    2014-01-01

    The copper-catalyzed ketenimine formation reaction of 1-(o-acetamidophenyl)propargyl alcohols with various sulfonyl azides is found to undergo a concomitant intramolecular nucleophile attack to generate 1,2-dihydro-2-iminoquinolines after aromatization (via elimination of acetyl and hydroxy groups) and tautomerization. The reaction produces 4-substituted and 3,4-unsubstituted title compounds in moderate to good yields under mild reaction conditions.

  8. Palladium-catalyzed synthesis of 4-oxaspiro[2.4]heptanes via central attack of oxygen nucleophiles to π-allylpalladium intermediates.

    Science.gov (United States)

    Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio

    2012-05-01

    A palladium-catalyzed decarboxylative cyclopropanation of γ-methylidene-δ-valerolactones with aromatic aldehydes has been developed to give 4-oxaspiro[2.4]heptanes with high selectivity. The site of nucleophilic attack to a π-allylpalladium intermediate has been controlled with a sterically demanding phosphine ligand. The course of the reaction is highly dependent on ligands and solvents, and selective formation of methylenetetrahydropyrans has also been realized. PMID:22530604

  9. Primary deuterium isotope effects in the gas phase reactions of nucleophiles with alkyl halides. Evidence of E2 and SN2 pathways

    International Nuclear Information System (INIS)

    Nucleophilic reactions have been widely studied in the gas phase; nevertheless, there is little known about the competition between substitution (SN2) and elimination (E2) processes in the nucleophilic reactions of simple organic substrates such as alkyl halides. Since both of these mechanisms yield the same ions, they cannot be distinguished by simple mass analysis of the ionic products. In this study, the authors report the use of reaction kinetics and primary deuterium isotope effects to differentiate between elimination and substitution mechanisms for a series of anions reacting with a variety of alkyl halides. The authors have employed a tandem flowing afterglow-selected ion flow tube (FA-SIFT) to measure the reaction rate coefficients of a number of nucleophiles with a series of deuterated alkyl chlorides and bromides chosen to explore a variety of substitution patterns. Isotope effects are expected for E2 reactions where nucleophilic attack occurs at a β-hydrogen but should be minimal for SN2 displacements at carbon. For isotope effects to be evident, the reaction efficiency must be sufficiently below unity so that small differences in the transition state are reflected in the reaction rate coefficients. Consider first the reactions of the oxygen nucleophiles, CF3CH2O- and CF3CF2CH2O-, with the alkyl chlorides. It is evident that the rates generally increase with greater carbon substitution, a pattern clearly more consistent with an E2 rather than an SN2 mechanism

  10. Study of improved resins for advanced supersonic technology composites. Part 1: Heteroaromatic polymers containing ether groups. Part 2: Curing chemistry of aromatic polymers and composite studies

    Science.gov (United States)

    Takekoshi, T.; Hillig, W. B.; Mellinger, G. A.

    1975-01-01

    Fourteen ether-containing, aromatic dianhydrides have been synthesized from N-phenyl-3 or 4-nitrophthalimide and various bisphenols. The process involves nucleophilic displacement of activated nitro groups with bisphenolate ions. Ether-containing dianhydrides were indefinitely stable in the presence of atmospheric moisture. One-step, high temperature solution polymerization of the ether-containing dianhydrides with m-phenylene diamine, 4,4'-oxydianiline and 1, 3-bis(4-aminophenoxy)benzene afforded 42 polyetherimides. The polyetherimides were all soluble in m-cresol except two which were found to be crystalline. The glass transition temperatures of the polyetherimides ranged from 178 to 277 C. Soluble polybenzimidazopyrrolones containing ether groups were also prepared from the same ether-containing dianhydrides and aromatic tetraamines by one-step solution polymerization. Using low molecular weight polyetherimides, various thermoset resin systems were developed and tested as matrices for fiber-reinforced composites. The curing chemistry involving reaction of the phthalonitrile group and the o-diaminophenyl group was found to be generally applicable to crosslinking various aromatic polymers other than polyimides.

  11. Acridine nucleophilic displacement - possible culprit of acridine interaction with prion protein

    Czech Academy of Sciences Publication Activity Database

    Šebestík, Jaroslav; Pavlíček, A.; Šafařík, Martin; Holada, K.; Hlaváček, Jan; Stibor, I.

    Praha : Ústav organické chemie a biochemie AV ČR, 2007 - (Slaninová, J.), s. 93-95 ISBN 978-80-86241-28-9. - (Collection Symposium Series. 9). [Biologically Active Peptides /10./. Praha (CZ), 11.04.2007-13.04.2007] R&D Projects: GA ČR GA203/07/1517 Institutional research plan: CEZ:AV0Z40550506 Keywords : aminoacridines * prion * quinacrine Subject RIV: CC - Organic Chemistry

  12. Digital displacements

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    2014-01-01

    digital reforms in Denmark and shows how citizen service is transformed from service to support. The frontline employee’s classical tasks such as casework are being displaced into educational and support-oriented tasks with less professional content. Thus an unintended effect of digitisation is blurred......In recent years digital reforms are being introduced in the municipal landscape of Denmark. The reforms address the interaction between citizen and local authority. The aim is, that by 2015 at least 80 per cent of all correspondence between citizens and public authority will be transmitted through...... digital interface. However, the transformation of citizen services from traditional face-to-face interaction to digital self-service gives rise to new practices; some citizens need support to be able to manage self-service through digital tools. A mixture of support and teaching, named co...

  13. Ring transformation of chromone-3-carboxamide under nucleophilic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ibrahim, Magdy A., E-mail: magdy_ahmed1977@yahoo.com [Department of Chemistry, Faculty of Education, Ain Shams University, Cairo(Egypt)

    2013-11-15

    The chemical reactivity of chromone-3-carboxamide was studied towards a series of nitrogen and carbon nucleophiles. Treatment of carboxamide with some primary amines gave chromane-2,4-diones. Condensation of carboxamide with hydrazine hydrate, phenyl hydrazine and hydroxylamine hydrochloride afforded chromenopyrazoles and chromenoisoxazole, respectively. Reaction of carboxamide with guanidine hydrochloride, cyanoguanidine and thiourea resulted in ring transformation producing chromenopyridines. The chemical behavior of carboxamide was also studied towards ethylenediamine, o-phenylenediamine, 2-aminophenol and 2-aminothiophenol. A variety of products were isolated from the reaction of carboxamide with some carbon nucleophiles. (author)

  14. Lithium BINOL Phosphate Catalyzed Desymmetrization of meso-Epoxides with Aromatic Thiols

    OpenAIRE

    Ingle, Gajendrasingh; Mormino, Michael G.; Antilla, Jon C.

    2014-01-01

    A highly enantioselective method for desymmetrization of meso-epoxides using thiols is reported. This is the first example of epoxide activation achieved using metal BINOL phosphates. The reaction has a broad scope in terms of epoxide substrates and aromatic thiol nucleophiles. The resulting β-hydroxyl sulfides are obtained in excellent yield and enantioselectivity.

  15. A Substrate-Assisted Mechanism of Nucleophile Activation in a Ser-His-Asp Containing C-C Bond Hydrolase

    Energy Technology Data Exchange (ETDEWEB)

    Ruzzini, Antonio C.; Bhowmik, Shiva; Ghosh, Subhangi; Yam, Katherine C.; Bolin, Jeffrey T.; Eltis, Lindsay D. [Purdue; (UBC)

    2013-11-12

    The meta-cleavage product (MCP) hydrolases utilize a Ser–His–Asp triad to hydrolyze a carbon–carbon bond. Hydrolysis of the MCP substrate has been proposed to proceed via an enol-to-keto tautomerization followed by a nucleophilic mechanism of catalysis. Ketonization involves an intermediate, ESred, which possesses a remarkable bathochromically shifted absorption spectrum. We investigated the catalytic mechanism of the MCP hydrolases using DxnB2 from Sphingomonas wittichii RW1. Pre-steady-state kinetic and LC ESI/MS evaluation of the DxnB2-mediated hydrolysis of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid to 2-hydroxy-2,4-pentadienoic acid and benzoate support a nucleophilic mechanism catalysis. In DxnB2, the rate of ESred decay and product formation showed a solvent kinetic isotope effect of 2.5, indicating that a proton transfer reaction, assigned here to substrate ketonization, limits the rate of acylation. For a series of substituted MCPs, this rate was linearly dependent on MCP pKa2nuc ~ 1). Structural characterization of DxnB2 S105A:MCP complexes revealed that the catalytic histidine is displaced upon substrate-binding. The results provide evidence for enzyme-catalyzed ketonization in which the catalytic His–Asp pair does not play an essential role. The data further suggest that ESred represents a dianionic intermediate that acts as a general base to activate the serine nucleophile. This substrate-assisted mechanism of nucleophilic catalysis distinguishes MCP hydrolases from other serine hydrolases.

  16. ORTHOPHTHALALDEHYDE – ELECTROCHEMICAL REDUCTION, HYDRATION AND REACTIVITY WITH NUCLEOPHILES

    Czech Academy of Sciences Publication Activity Database

    Kantnerová, Kristýna

    Praha: ÚFCH JH, 2015. s. 15-15. [Seminář studentů ÚFCH JH 2015. 04.05.2015-06.05.2015, Liblice] Institutional support: RVO:61388955 Keywords : electrochemistry * nucleophiles * electrochemical reduction Subject RIV: CG - Electrochemistry

  17. Diethyl Fluoronitromethylphosphonate: Synthesis and Application in Nucleophilic Fluoroalkyl Additions

    Czech Academy of Sciences Publication Activity Database

    Opekar, Stanislav; Pohl, Radek; Beran, Pavel; Rulíšek, Lubomír; Beier, Petr

    2014-01-01

    Roč. 20, č. 5 (2014), s. 1453-1458. ISSN 0947-6539 R&D Projects: GA ČR GP203/08/P310 Institutional support: RVO:61388963 Keywords : C1 building blocks * fluorine * nucleophilic addition * phosphanes * synthetic methods Subject RIV: CC - Organic Chemistry Impact factor: 5.731, year: 2014

  18. Deflavination of flavo-oxidases by nucleophilic reagents

    NARCIS (Netherlands)

    Zlateva, Theodora; Boteva, Raina; Filippi, Bruno; Veenhuis, Marten; Klei, Ida J. van der

    2001-01-01

    Using spectroscopic techniques we studied the effect of the nucleophilic reagents cyanide, cyanate and thiocyanate on three flavo-oxidases namely alcohol oxidase (AO), glucose oxidase (GOX) and D-amino acid oxidase (DAOX). All three ions, added at concentrations in the mM range, caused release of th

  19. Covalent adduction of nitrogen mustards to model protein nucleophiles.

    Science.gov (United States)

    Thompson, Vanessa R; DeCaprio, Anthony P

    2013-08-19

    Protein adducts have the potential to serve as unique biomarkers of exposure to compounds of interest. Many xenobiotics (or their metabolites) are electrophilic and therefore reactive with nucleophilic amino acid residues on proteins. Nitrogen mustards are reactive xenobiotics with potential use as chemical warfare agents (CWA) or agents of terrorist attack, in addition to being employed as chemotherapeutic agents. The present study utilized cysteine-, lysine-, and histidine-containing model peptides to characterize in vitro adduction of the nitrogen mustards mechloroethamine (HN-2) and tris-(2-chlorethyl)amine (HN-3) to these nucleophilic amino acid residues by means of liquid chromatography-tandem mass spectrometry. The study assessed the structure of adducts formed, the time course of adduct formation, concentration-response relationships, and temporal stability of adducts. Adduction was hypothesized to occur on all three model peptides via initial formation of a reactive aziridinium intermediate for both mechloroethamine and tris-(2-chlorethyl)amine, followed by covalent adduction to nucleophilic residues. While adduction was found to occur most readily with cysteine, it was also observed at lysine and histidine, demonstrating that adduction by mechloroethamine and tris-(2-chlorethyl)amine is possible at multiple nucleophilic sites. Following solid phase extraction cleanup, adducts formed with mechloroethamine were stable for up to three weeks. Adducts formed with tris-(2-chlorethyl)amine were less stable; however, hydrolyzed secondary adducts were observed throughout the three week period. This study demonstrates that the nitrogen mustards mechloroethamine and tris-(2-chlorethyl)amine form stable adducts with reactive protein nucleophiles other than cysteine. PMID:23859065

  20. Aromatic graphene

    Science.gov (United States)

    Das, D. K.; Sahoo, S.

    2016-04-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  1. Nucleophilic Participation in the Solvolyses of (Arylthio)methyl Chlorides and Derivatives: Application of Simple and Extended Forms of the Grunwald-Winstein Equations.

    Science.gov (United States)

    Kevill, Dennis N; Park, Young Hoon; Park, Byoung-Chun; D'Souza, Malcolm J

    2012-06-01

    The specific rates of solvolysis of chloromethyl phenyl sulfide [(phenylthio)methyl chloride] and its p-chloro-derivative have been determined at 0.0 °C in a wide range of hydroxylic solvents, including several containing a fluroalcohol. Treatment in terms of a two-term Grunwald-Winstein equation, incorporating terms based on solvent ionizing power (Y(Cl)) and solvent nucleophilicity (N(T)) suggest a mechanism similar to that for the solvolyses of tert-butyl chloride, involving in the rate-determining step a nucleophilic solvation of the incipient carbocation in an ionization process. A previous suggestion, that a third-term governed by the aromatic ring parameter (I) is required, is shown both for the new and for the previously studied related substrates to be an artifact, resulting from an appreciable degree of multicollinearity between I values and a linear combination of N(T) and Y(Cl) values. PMID:22711999

  2. Nucleophilic tetrafluoroethylation of carbonyl compounds with fluorinated sulfones

    Czech Academy of Sciences Publication Activity Database

    Václavík, Jiří; Chernykh, Yana; Jurásek, Bronislav; Beier, Petr

    2015-01-01

    Roč. 169, Jan (2015), s. 24-31. ISSN 0022-1139 R&D Projects: GA ČR GAP207/11/0421 Grant ostatní: GA MŠk(CZ) ED3.2.00/08.0144; GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : fluorine * tetrafluoroethylation * sulfones * nucleophilic addition * carbonyl compounds Subject RIV: CC - Organic Chemistry Impact factor: 1.948, year: 2014

  3. Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics

    OpenAIRE

    Roy, D. R.; Subramanian, V; Chattaraj, P. K.

    2005-01-01

    Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important inputs towards the fabrication of the material required for molecular electronics.

  4. DFT analysis of the nucleophilicity of substituted pyridines and prediction of new molecules having nucleophilic character stronger than 4-pyrrolidino pyridine

    Indian Academy of Sciences (India)

    Kaustavmoni Deka; Prodeep Phukan

    2016-04-01

    Some commonly used 3-substituted, 4-substituted and 3,4,5-substituted pyridines were examined using DFT to predict the nucleophilicity behavior based on four different methods known in the literature. HOMO-LUMO energy calculations were done using DFT/B3LYP/6-311G+(d,p) level of theory. To establish the most suitable nucleophilicity scale for all the ranges of pyridines covered herein, either Hammett substituent constant () or experimental nucleophilicity values were computed. On the basis of this study, some new 4-substituted pyridines with enhanced nucleophilicity have been proposed. Nucleophilic behaviour of a few predicted molecules was found to be better than that of 4-pyrrolidino pyridine.

  5. Multiple nucleophilic elbows leading to multiple active sites in a single module esterase from Sorangium cellulosum

    DEFF Research Database (Denmark)

    Udatha, D.B.R.K. Gupta; Madsen, Karina Marie; Panagiotou, Gianni; Olsson, Lisbeth

    2015-01-01

    The catalytic residues in carbohydrate esterase enzyme families constitute a highly conserved triad: serine, histidine and aspartic acid. This catalytic triad is generally located in a very sharp turn of the protein backbone structure, called the nucleophilic elbow and identified by the consensus...... sequence GXSXG. An esterase from Sorangium cellulosum Soce56 that contains five nucleophilic elbows was cloned and expressed in Escherichia coli and the function of each nucleophilic elbowed site was characterized. In order to elucidate the function of each nucleophilic elbow, site directed mutagenesis was...... used to generate variants with deactivated nucleophilic elbows and the functional promiscuity was analyzed. In silico analysis together with enzymological characterization interestingly showed that each nucleophilic elbow formed a local active site with varied substrate specificities and affinities. To...

  6. Transetherification on polyols by intra- and intermolecular nucleophilic substitutions.

    Directory of Open Access Journals (Sweden)

    Takahiro Muraoka

    Full Text Available Transetherification on polyols involving intra- and intermolecular nucleophilic substitutions is reported. Di- or trialkoxide formation of propane-1,3-diol or 2-(hydroxymethylpropane-1,3-diol derivatives by NaH triggers the reaction via oxetanes formation, where the order to add NaH and a polyol significantly influences the yields of products. It was demonstrated that the protective group on the pentaerythritol skeleton is apparently transferred to the hydrophilic and hydrophobic chain molecules bearing a leaving group in one-step, and a protective group conversion from tosyl to benzyl was successful using a benzyl-appending triol to afford a desired product in 67% yield.

  7. Job Displacement and Crime

    DEFF Research Database (Denmark)

    Bennett, Patrick; Ouazad, Amine

    We use a detailed employer-employee data set matched with detailed crime information (timing of crime, fines, convictions, crime type) to estimate the impact of job loss on an individual's probability to commit crime. We focus on job losses due to displacement, i.e. job losses in firms losing a...... that displaced workers' propensity to commit crime is higher than non-displaced workers before the displacement event; but it is significantly higher afterwards. Displacement impacts crime over and above what is explained by earnings losses and weeks of unemployment following displacement....

  8. Job Displacement and Crime

    DEFF Research Database (Denmark)

    Bennett, Patrick; Ouazad, Amine

    theory of crime. Marital dissolution is more likely post-displacement, and we find small intra-family externalities of adult displacement on younger family members’ crime. The impact of displacement on crime is stronger in municipalities with higher capital and labor income inequalities.......This paper matches a comprehensive Danish employer-employee data set with individual crime information (timing of offenses, charges, convictions, and prison terms by crime type) to estimate the impact of job displacement on an individual’s propensity to commit crime. We focus on displaced...... individuals, i.e. high-tenure workers with strong attachment to their firm, who lose employment during a mass-layoff event. Pre-displacement data suggests no evidence of endogenous selection of workers for displacement during mass-layoffs: displaced workers’ propensity to commit crime exhibits no...

  9. Regioselective Nucleophilic Ring Opening of Epoxides and Aziridines derived from Homoallylic Alcohols

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Groth, Thomas

    1997-01-01

    The regioselectivity of nucleophilic ring opening of some 3,4-epoxy and 3,4-aziridino alcohols has been studied. The nucleophiles chosen were complex hydrides (LiAlH4, Red-Al and DIBAL) and Lipshutz- or Gilman-type organocuprate reagents. The C-4 substituent in the substrates was varied in order ...

  10. Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters

    Indian Academy of Sciences (India)

    S Duley; S Giri; A Chakraborty; P K Chattaraj

    2009-09-01

    Several sandwich-like metal clusters have been studied at the B3LYP/6-311 + G∗ level of theory. Bonding and reactivity have been analysed through various geometrical parameters and conceptual density functional theory based global reactivity descriptors. Aromaticity patterns have been understood in terms of the associated nucleus independent chemical shift values. Possibility of bond-stretch isomerism in some doped clusters is explored. Preferable sites for electrophilic and nucleophilic attacks have been identified using different local reactivity descriptors.

  11. Cyclic disulfide C8 iminoporfiromycin: nucleophilic activation of a porfiromycin.

    Science.gov (United States)

    Lee, Sang Hyup; Kohn, Harold

    2004-04-01

    The clinical success of mitomycin C (1) and its associated toxicities and resistance have led to efforts to prepare semisynthetic analogues (i.e., KW-2149 (3), BMS-181174 (4)) that have improved pharmacological profiles. In this study, we report the preparation and evaluation of the novel 7-N-(1'-amino-4',5'-dithian-2'-yl)porfiromycin C(8) cyclized imine (6) and its reference compound, 7-N-(1'-aminocyclohex-2'-yl)porfiromycin C(8) cyclized imine (13). Porfiromycin 6 contains a disulfide unit that, upon cleavage, may provide thiol(s) that affect drug reactivity. We demonstrated that phosphines dramatically accelerated 6 activation and solvolysis in methanolic solutions ("pH 7.4") compared with 13. Porfiromycins 6 and 13 efficiently cross-linked EcoRI-linearized pBR322 DNA upon addition of Et3P. We found enhanced levels of interstrand cross-link (ISC) adducts for 6 and 13 compared with porfiromycin (7) and that 6 was more efficient than 13. The large Et3P-mediated rate enhancements for the solvolysis of 6 compared with 13 and a N(7)-substituted analogue of 1, and the increased levels of ISC adducts for 6 compared with 13 and 7 are attributed to a nucleophile-assisted disulfide cleavage process that permits porfiromycin activation and nucleophile (MeOH, DNA) adduction. The in vitro antiproliferative activities of 6 and 13 using the A549 tumor cell line (lung adenocarcinoma) were determined under aerobic and hypoxic conditions and then compared with 7. Both 6 and 13 were more cytotoxic than 7, with 13 being more potent than 6. The C(8) iminoporfiromycins 6 and 13 displayed anticancer profiles similar to 3. PMID:15053618

  12. The Stabilized Cation Pool Method: Metal- and Oxidant-Free Benzylic C-H/Aromatic C-H Cross-Coupling.

    Science.gov (United States)

    Hayashi, Ryutaro; Shimizu, Akihiro; Yoshida, Jun-Ichi

    2016-07-13

    Electrochemical oxidation of toluene derivatives in the presence of a sulfilimine gave benzylaminosulfonium ions as stabilized benzyl cation pools, which reacted with subsequently added aromatic nucleophiles to give the corresponding cross-coupling products. The transformation serves as a powerful metal- and chemical-oxidant-free method for benzylic C-H/aromatic C-H cross-coupling. The method has been successfully applied to synthesis of TP27, an inhibitor of PTPase. PMID:27341676

  13. (Hetero)aromatics from dienynes, enediynes and enyne-allenes.

    Science.gov (United States)

    Raviola, Carlotta; Protti, Stefano; Ravelli, Davide; Fagnoni, Maurizio

    2016-08-01

    The construction of aromatic rings has become a key objective for organic chemists. While several strategies have been developed for the functionalization of pre-formed aromatic rings, the direct construction of an aromatic core starting from polyunsaturated systems is yet a less explored field. The potential of such reactions in the formation of aromatics increased at a regular pace in the last few years. Nowadays, there are reliable and well-established procedures to prepare polyenic derivatives, such as dienynes, enediynes, enyne-allenes and hetero-analogues. This has stimulated their use in the development of innovative cycloaromatizations. Different examples have recently emerged, suggesting large potential of this strategy in the preparation of (hetero)aromatics. Accordingly, this review highlights the recent advancements in this field and describes the different conditions exploited to trigger the process, including thermal and photochemical activation, as well as the use of transition metal catalysis and the addition of electrophiles/nucleophiles or radical species. PMID:27263976

  14. Research Paradigm of Displaced Aggression

    OpenAIRE

    Tanno, Syota

    2013-01-01

    A review of research paradigm of displaced aggression is presented. The author arranged the Japanese wording of displaced aggression, summarized the historical transition of research on displaced aggression, and reviewed research paradigm of displaced aggression.

  15. Reactivity of polychlorinated biphenyls in nucleophilic and electrophilic substitutions

    Energy Technology Data Exchange (ETDEWEB)

    Gorbunova, Tatyana I., E-mail: gorbunova@ios.uran.ru [I. Ya. Postovskii Institute of Organic Synthesis, Ural Branch, Russian Academy of Sciences, Kovalevskoy St., 22, Ekaterinburg 620990 (Russian Federation); Subbotina, Julia O. [Ural Federal University named after the first President of Russia B.N. Yeltsin, Mira St., 19, Ekaterinburg 620002 (Russian Federation); Saloutin, Viktor I.; Chupakhin, Oleg N. [I. Ya. Postovskii Institute of Organic Synthesis, Ural Branch, Russian Academy of Sciences, Kovalevskoy St., 22, Ekaterinburg 620990 (Russian Federation)

    2014-08-15

    Graphical abstract: - Highlights: • Quantum chemical calculations were carried out for PCBs congeners. • Calculated descriptors were used to explain the PCBs reactivity in S{sub N} and S{sub E} substitutions. • Obtained data were used to estimate the PCBs reactivity in the S{sub N} reactions. • Calculated descriptors were insufficient to explain the PCBs reactivity in the S{sub E} reactions. • New neutralization methods of the large-capacity PCBs were discussed. - Abstract: To explain the chemical reactivity of polychlorinated biphenyls in nucleophilic (S{sub N}) and electrophilic (S{sub E}) substitutions, quantum chemical calculations were carried out at the B3LYP/6-31G(d) level of the Density Functional Theory in gas phase. Carbon atomic charges in biphenyl structure were calculated by the Atoms-in-Molecules method. Chemical hardness and global electrophilicity index parameters were determined for congeners. A comparison of calculated descriptors and experimental data for congener reactivity in the S{sub N} and S{sub E} reactions was made. It is shown that interactions in the S{sub N} mechanism are reactions of the hard acid–hard base type, these are the most effective in case of highly chlorinated substrates. To explain the congener reactivity in the S{sub E} reactions, correct descriptors were not established. The obtained results can be used to carry out chemical transformations of the polychlorinated biphenyls in order to prepare them for microbiological destruction or preservation.

  16. Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.

    Science.gov (United States)

    Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long

    2016-03-01

    A tricoordinated gold(I) chloride complex, tBuXantphosAuCl, supported by a sterically bulky 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene ligand (tBuXantphos) was synthesized. This complex features a remarkably longer Au-Cl bond length [2.632(1) Å] than bicoordinated linear gold complexes (2.27-2.30 Å) and tricoordinated XantphosAuCl [2.462(1) Å]. Single-crystal X-ray diffraction analysis of a cocrystal of tBuXantphosAuCl and pentafluoronitrobenzene (PFNB) and UV-vis spectroscopic titration experiments revealed the existence of an anion-π interaction between the Cl anion ligand and PFNB. Stoichiometric reaction between PFNB and tBuXantphosAuOtBu, after replacement of Cl by a more nucleophilic tBuO anion ligand, showed higher reactivity and para selectivity in the transformation of C-F to C-OtBu bond, distinctively different from that when only KOtBu was used (ortho selectivity) under the identical condition. Mechanistic studies including density functional theory calculations suggested a gold-mediated nucleophilic ligand attack of the C-F bond pathway via an SNAr process. On the basis of these results, using trimethylsilyl derivatives TMS-X (X = OMe, SEt, NEt2) as the nucleophilic ligand source and the fluorine acceptor, catalytic transformation of the C-F bond of aromatic substrates to the C-X (X = O, S, N) bond was achieved with tBuXantphosAuCl as the catalyst (up to 20 turnover numbers). PMID:26872251

  17. Michael addition of thiols, carbon nucleophiles and amines to dehydroamino acid and dehydropeptide derivatives

    OpenAIRE

    Ferreira, Paula M.T.; Maia, Hernâni L. S.; Monteiro, Luís S.; Sacramento, Joana

    2001-01-01

    Michael additions of nitrogen heterocycles, thiols, carbon nucleophiles and amines to dehydroalanine derivatives, including a glycyldehydroalanine peptide, were performed in fair to good yields. Dehydroaminobutyric acid derivatives reacted only with the stronger nucleophiles but in considerably lower yields and often no reaction was observed with the corresponding dehydrophenylalanine derivatives. When a tosyl group was bonded to the nitrogen atom of the dehydroamino acid, in some cases the a...

  18. Templated assembly of medium cyclic ethers via exo-trig nucleophilic cyclization of cyclopropenes.

    Science.gov (United States)

    Alnasleh, Bassam K; Rubina, Marina; Rubin, Michael

    2016-06-14

    A novel method for the assembly of medium heterocycles via an intramolecular nucleophilic addition to cyclopropenes generated in situ from the corresponding bromocyclopropanes is described. The exo-trig nucleophilic cyclizations were shown to proceed very efficiently and in a highly diastereoselective fashion affording cis-fused bicyclic products possessing 7 to 10-membered medium rings; starting from a diastereomeric mixtures of bromocyclopropanes. PMID:27210442

  19. Displacement Data Assimilation

    CERN Document Server

    Rosenthal, W Steven; Mariano, Arthur J; Restrepo, Juan M

    2016-01-01

    We show that modifying a Bayesian data assimilation scheme by incorporating kinematically-consistent displacement corrections produces a scheme that is demonstrably better at estimating partially observed state vectors in a setting where feature information important. While the displacement transformation is not tied to any particular assimilation scheme, here we implement it within an ensemble Kalman Filter and demonstrate its effectiveness in tracking stochastically perturbed vortices.

  20. Internal displacement in Burma.

    Science.gov (United States)

    Lanjouw, S; Mortimer, G; Bamforth, V

    2000-09-01

    The internal displacement of populations in Burma is not a new phenomenon. Displacement is caused by numerous factors. Not all of it is due to outright violence, but much is a consequence of misguided social and economic development initiatives. Efforts to consolidate the state by assimilating populations in government-controlled areas by military authorities on the one hand, while brokering cease-fires with non-state actors on the other, has uprooted civilian populations throughout the country. Very few areas in which internally displaced persons (IDPs) are found are not facing social turmoil within a climate of impunity. Humanitarian access to IDP populations remains extremely problematic. While relatively little information has been collected, assistance has been focused on targeting accessible groups. International concern within Burma has couched the problems of displacement within general development modalities, while international attention along its borders has sought to contain displacement. With the exception of several recent initiatives, few approaches have gone beyond assistance and engaged in the prevention or protection of the displaced. PMID:11026156

  1. Nucleophilic additions to a para-benzyne derived from an enediyne : Exploring the non-radical reactivity of a diradical

    OpenAIRE

    Reyes-Rodríguez, Gabriel J.

    2013-01-01

    A new reaction of para-benzyne diradicals with anionic nucleophiles is different from their usual homolytic atom abstraction. Our studies show cyclodeca-1,5-diyn-3-ene undergoing rate-limiting cycloaromatization to a para- benzyne, which rapidly adds nucleophiles to produce an aryl anion, which is then quenched by solvent or water to form 1-(Nu)tetrahydronaphthalenes. Our results represent the first example of anionic nucleophiles, other than halides, reacting towards a para-aryne. Our reacti...

  2. Automated synthesis of n.c.a. [18F]FDOPA via nucleophilic aromatic substitution with [18F]fluoride

    International Nuclear Information System (INIS)

    An improved, automated synthesis of [18F]FDOPA including four synthetic steps (fluorination, reductive iodination, alkylation and hydrolysis) is reported with each step optimized individually. In a home-made automatic synthesizer, 9064±3076 MBq of [18F]FDOPA were produced within 120 min from EOB (n=5). Radiochemical purity and enantiomeric excess were both ≥95%. Specific activity was ca. 50 GBq/μmol at EOS. This automatically operable synthesis is well suited for the multi-patient-dose routine production of n.c.a. [18F]FDOPA.

  3. Superconductivity in aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (Kxpicene, five benzene rings). Its superconducting transition temperatures (Tc’s) were 7 and 18 K. Recently, we found a new superconducting Kxpicene phase with a Tc as high as 14 K, so we now know that Kxpicene possesses multiple superconducting phases. Besides Kxpicene, we discovered new superconductors such as Rbxpicene and Caxpicene. A most serious problem is that the shielding fraction is ⩽15% for Kxpicene and Rbxpicene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of Tc that is clearly observed in some phases of aromatic hydrocarbon superconductors

  4. Alternative nucleophilic substrates for the endonuclease activities of human immunodeficiency virus type 1 integrase

    Energy Technology Data Exchange (ETDEWEB)

    Ealy, Julie B. [Department of Medicine, Penn State College of Medicine, Milton S. Hershey Medical Center, 500 University Drive, PO Box 850, Mail Services H036, Hershey, PA 17033 (United States); Department of Chemistry, Penn State Lehigh Valley, 2809 E. Saucon Valley Road, Center Valley, PA 18034 (United States); Sudol, Malgorzata [Department of Medicine, Penn State College of Medicine, Milton S. Hershey Medical Center, 500 University Drive, PO Box 850, Mail Services H036, Hershey, PA 17033 (United States); Krzeminski, Jacek; Amin, Shantu [Department of Pharmacology, Penn State College of Medicine, Milton S. Hershey Medical Center, 500 University Drive, Hershey, PA 17033 (United States); Katzman, Michael, E-mail: mkatzman@psu.edu [Department of Medicine, Penn State College of Medicine, Milton S. Hershey Medical Center, 500 University Drive, PO Box 850, Mail Services H036, Hershey, PA 17033 (United States); Department of Microbiology and Immunology, Penn State College of Medicine, Milton S. Hershey Medical Center, 500 University Drive, Hershey, PA 17033 (United States)

    2012-11-10

    Retroviral integrase can use water or some small alcohols as the attacking nucleophile to nick DNA. To characterize the range of compounds that human immunodeficiency virus type 1 integrase can accommodate for its endonuclease activities, we tested 45 potential electron donors (having varied size and number or spacing of nucleophilic groups) as substrates during site-specific nicking at viral DNA ends and during nonspecific nicking reactions. We found that integrase used 22 of the 45 compounds to nick DNA, but not all active compounds were used for both activities. In particular, 13 compounds were used for site-specific and nonspecific nicking, 5 only for site-specific nicking, and 4 only for nonspecific nicking; 23 other compounds were not used for either activity. Thus, integrase can accommodate a large number of nucleophilic substrates but has selective requirements for its different activities, underscoring its dynamic properties and providing new information for modeling and understanding integrase.

  5. Alternative nucleophilic substrates for the endonuclease activities of human immunodeficiency virus type 1 integrase

    International Nuclear Information System (INIS)

    Retroviral integrase can use water or some small alcohols as the attacking nucleophile to nick DNA. To characterize the range of compounds that human immunodeficiency virus type 1 integrase can accommodate for its endonuclease activities, we tested 45 potential electron donors (having varied size and number or spacing of nucleophilic groups) as substrates during site-specific nicking at viral DNA ends and during nonspecific nicking reactions. We found that integrase used 22 of the 45 compounds to nick DNA, but not all active compounds were used for both activities. In particular, 13 compounds were used for site-specific and nonspecific nicking, 5 only for site-specific nicking, and 4 only for nonspecific nicking; 23 other compounds were not used for either activity. Thus, integrase can accommodate a large number of nucleophilic substrates but has selective requirements for its different activities, underscoring its dynamic properties and providing new information for modeling and understanding integrase.

  6. Symmetry Analysis in Mechanistic Studies of Nucleophilic Substitution and β-Elimination Reactions

    OpenAIRE

    Xiaoping Sun

    2010-01-01

    A mechanistic study of the bimolecular nucleophilic substitution (SN2) reaction for halomethane CH3X (X = Cl, Br, or I) is approached by using symmetry principles and molecular orbital theory. The electrophilicity of the functionalized sp3–carbon is attributable to a 2p-orbital-based antibonding MO along the C–X bond. This antibonding MO, upon accepting an electron pair from a nucleophile, gives rise to dissociation of the C–X bond and formation of a new Nuc–C bond. Correlations are made betw...

  7. Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums.

    Science.gov (United States)

    Yuan, Jun; Sun, Tingting; He, Xin; An, Ke; Zhu, Jun; Zhao, Liang

    2016-01-01

    Polymetalated aromatic compounds are particularly challenging synthetic goals because of the limited thermodynamic stability of polyanionic species arising from strong electrostatic repulsion between adjacent carbanionic sites. Here we describe a facile synthesis of two polyaurated complexes including a tetra-aurated indole and an octa-aurated benzodipyrrole. The imido trinuclear gold(I) moiety exhibits nucleophilicity and undergoes an intramolecular attack on a gold(I)-activated ethynyl to generate polyanionic heteroaryl species. Their computed magnetic properties reveal the aromatic character in the five-membered ring. The incorporation of the aurated substituents at the nitrogen atom can convert non-aromaticity in the parent indolium into aromaticity in the aurated one because of hyperconjugation. Thus, the concept of hyperconjugative aromaticity is extended to heterocycles with transition metal substituents. More importantly, further analysis indicates that the aurated substituents can perform better than traditional main-group substituents. This work highlights the difference in aromaticity between polymetalated aryls and their organic prototypes. PMID:27186982

  8. The photoelectric displacement converter

    Science.gov (United States)

    Dragoner, Valeriu V.

    2005-02-01

    In the article are examined questions of constructing photoelectric displacement converter satisfying demands that are stated above. Converter has channels of approximate and precise readings. The approximate reading may be accomplished either by the method of reading from a code mask or by the method of the consecutive calculation of optical scale gaps number. Phase interpolator of mouar strips" gaps is determined as a precise measuring. It is shown mathematical model of converter that allow evaluating errors and operating speed of conversion.

  9. HIGH TEMPERATURE DISPLACEMENT SENSOR

    Institute of Scientific and Technical Information of China (English)

    Xu Longxiang; Zhang Jinyu; Schweitzer Gerhard

    2005-01-01

    A high temperature displacement sensor based on the principle of eddy-current is investigated. A new temperature compensation technique by using eddy-current effect is presented to satisfy the special requirement at high temperature up to 550℃. The experiment shows that the temperature compensation technique leads to good temperature stability for the sensors. The variation of the sensitivity as well as the temperature drift of the sensor with temperature compensation technique is only about 7.4% and 90~350 mV at 550℃ compared with that at room temperature, and that of the sensor without temperature compensation technique is about 31.2% and 2~3 V at 550℃ compared with that at room temperature. A new dynamic calibration method for the eddy-current displacement sensor is presented, which is very easy to be realized especially in high frequency and at high temperatures. The high temperature displacement sensors developed are successfully used at temperature up to 550℃ in a magnetic bearing system for more than 100 h.

  10. Superconductivity in aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kubozono, Yoshihiro, E-mail: kubozono@cc.okayama-u.ac.jp [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Japan Science and Technology Agency, ACT-C, Kawaguchi 332-0012 (Japan); Goto, Hidenori; Jabuchi, Taihei [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Yokoya, Takayoshi [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Kambe, Takashi [Department of Physics, Okayama University, Okayama 700-8530 (Japan); Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L.T. [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya [Center of Science and Technology under Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)

    2015-07-15

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (K{sub x}picene, five benzene rings). Its superconducting transition temperatures (T{sub c}’s) were 7 and 18 K. Recently, we found a new superconducting K{sub x}picene phase with a T{sub c} as high as 14 K, so we now know that K{sub x}picene possesses multiple superconducting phases. Besides K{sub x}picene, we discovered new superconductors such as Rb{sub x}picene and Ca{sub x}picene. A most serious problem is that the shielding fraction is ⩽15% for K{sub x}picene and Rb{sub x}picene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of T{sub c} that is clearly

  11. Nucleophilic additions of [(diethoxyphosphoryl)difluoromethyl]lithium to a,b-unsaturated compounds

    Czech Academy of Sciences Publication Activity Database

    Cherkupally, Prabhakar; Beier, Petr

    2012-01-01

    Roč. 137, May (2012), s. 34-43. ISSN 0022-1139 R&D Projects: GA ČR GP203/08/P310 Institutional research plan: CEZ:AV0Z40550506 Keywords : 1,4-Addition * nucleophilic addition * difluoromethylphosphonate Subject RIV: CC - Organic Chemistry Impact factor: 1.939, year: 2012

  12. Hydroxylation of nitro-(pentafluorosulfanyl)benzenes via vicarious nucleophilic substitution of hydrogen

    Czech Academy of Sciences Publication Activity Database

    Beier, Petr; Pastýříková, Tereza

    2011-01-01

    Roč. 52, č. 34 (2011), s. 4392-4394. ISSN 0040-4039 R&D Projects: GA ČR GAP207/11/0344 Institutional research plan: CEZ:AV0Z40550506 Keywords : pentafluorosulfanyl group * vicarious nucleophilic substitution * hydroxylation Subject RIV: CC - Organic Chemistry Impact factor: 2.683, year: 2011

  13. Organic Chemistry Students' Ideas about Nucleophiles and Electrophiles: The Role of Charges and Mechanisms

    Science.gov (United States)

    Anzovino, Mary E.; Bretz, Stacey Lowery

    2015-01-01

    Organic chemistry students struggle with reaction mechanisms and the electron-pushing formalism (EPF) used by practicing organic chemists. Faculty have identified an understanding of nucleophiles and electrophiles as one conceptual prerequisite to mastery of the EPF, but little is known about organic chemistry students' knowledge of nucleophiles…

  14. Direct Amination of Nitro(pentafluorosulfanyl)benzenes through Vicarious Nucleophilic Substitution of Hydrogen

    Czech Academy of Sciences Publication Activity Database

    Pastýříková, Tereza; Iakobson, George; Vida, Norbert; Pohl, Radek; Beier, Petr

    -, č. 11 (2012), s. 2123-2126. ISSN 1434-193X R&D Projects: GA ČR GAP207/12/0072 Institutional research plan: CEZ:AV0Z40550506 Keywords : sulfur * amination * nucleophilic substitution * nitrogen heterocycles Subject RIV: CC - Organic Chemistry Impact factor: 3.344, year: 2012

  15. The syn/anti-Dichotomy in the Palladium-Catalyzed Addition of Nucleophiles to Alkenes

    Czech Academy of Sciences Publication Activity Database

    Kočovský, Pavel; Bäckvall, J. E.

    2015-01-01

    Roč. 21, č. 1 (2015), s. 36-56. ISSN 0947-6539 Institutional support: RVO:61388963 Keywords : alkenes * catalysis * nucleophilic addition * palladium * stereochemistry Subject RIV: CC - Organic Chemistry Impact factor: 5.731, year: 2014 http://onlinelibrary.wiley.com/doi/10.1002/chem.201404070/pdf

  16. Dispossession and displacement in Libya

    OpenAIRE

    Rhodri C Williams

    2012-01-01

    Inability to access pre-displacement housing, land and property poses a significant obstacle to the achievement of durable solutions for most IDPs in Libya. Displacement and dispossession cannot be separated from the legacy of the Gaddafi era.

  17. Virtual Displacement in Lagrangian Dynamics

    CERN Document Server

    Ray, S; Ray, Subhankar

    2004-01-01

    The confusion and ambiguity encountered by students, in understanding virtual displacement and virtual work, is addressed in this article. A definition of virtual displacement is presented that allows one to express them explicitly for both time independent and time dependent constraints. It is observed that for time independent constraints the virtual displacements are the displacements allowed by the constraints. However this is not so for a general time dependent case. For simple physical systems, it is shown that, the work done on virtual displacements by the constraint forces is zero in both the situations. For allowed displacements however, this is not always true. It is also demonstrated that when constraint forces do zero work on virtual displacement, as defined here, we have a solvable mechanical problem. We identify this special class of constraints, physically realized and solvable, as the ideal constraints. The concept of virtual displacement and the principle of zero virtual work by constraint fo...

  18. Displacement cascades in polyatomic materials

    Energy Technology Data Exchange (ETDEWEB)

    Parkin, D.M.; Coulter, C.A.

    1982-01-01

    Using a continuous-slowing-down, random amorphous material model, we have studied displacement cascades in a number of diatomic materials. This paper reviews a number of previous results that elucidate the effects of atomic mass, recoil energy, displacement energy, capture energy and material stoichiometry on the numbers of displacements in a cascade. The displacement cascade reveals a complex structure that is dependent on the type of irradiation and the material properties. Conclusions related to damage analysis for fusion reactors are given.

  19. Investigations of acidity and nucleophilicity of diphenyldithiophosphinate ligands using theory and gas-phase dissociation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Christopher M. Leavitt; Garold L. Gresham; Michael T. Benson; Jean-Jaques Gaumet; Dean Peterman; John Klaehn; Megan Moser; Frederic Aubriet; Michael J. Van Stipdonk; Gary S. Groenewold

    2008-04-01

    Diphenyldithiophosphinate (DTP) ligands modified with electron-withdrawing trifluoromethyl (TFM) substitutents are of high interest because they have demonstrated potential for exceptional separation of Am3+ from lanthanide3+ cations. Specifically, the bis(ortho-TFM) (L1-) and (ortho-TFM)(meta-TFM) (L2-) derivatives have shown excellent separation selectivity, while the bis(meta-TFM) (L3)- and unmodified DTP (Lu-) did not. Factors responsible for selective coordination have been investigated using density functional theory (DFT) calculations in concert with competitive dissociation reactions in the gas phase. To evaluate the role of (DTP+H) acidity, density functional calculations were used to predict pKa values, which followed the trend of L3 < L2 < L1 < Lu. The order of the TFM-modified (DTP+H) acids was opposite of what would be expected based on the e--withdrawing effects of the TFM group, suggesting that secondary factors are influencing the pKa and nucleophilicity. The relative nucleophilicities of the DTP anions were evaluated by forming metal-mixed ligand complexes in a trapped ion mass spectrometer, and then fragmenting them using competitive collision induced dissociation. Relative to Na+, the unmodified Lu- anion was the strongest nucleophile. Comparing the TFM derivatives, the bis(ortho-TFM) derivative L1- was found to be the strongest nucleophile, while the bis(meta-TFM) L3- was the weakest, a trend consistent with the pKa calculations. DFT modeling of the Na+ complexes suggested that the elevated cation affinity of the L1- and L2- anions was due to donation of electron density from fluorine atoms to the metal center, which was occurring in rotational conformers where the TFM moiety was proximate to the Na+-dithiophosphinate group. Competitive dissociation experiments were performed with the dithiophosphinate anions complexed with europium nitrate species; ionic dissociation of these complexes always produced the TFM-modified dithiophosphinate anions

  20. Strategies for displacing oil

    Science.gov (United States)

    Rao, Vikram; Gupta, Raghubir

    2015-03-01

    Oil currently holds a monopoly on transportation fuels. Until recently biofuels were seen as the means to break this stranglehold. They will still have a part to play, but the lead role has been handed to natural gas, almost solely due to the increased availability of shale gas. The spread between oil and gas prices, unprecedented in its scale and duration, will cause a secular shift away from oil as a raw material. In the transport fuel sector, natural gas will gain traction first in the displacement of diesel fuel. Substantial innovation is occurring in the methods of producing liquid fuel from shale gas at the well site, in particular in the development of small scale distributed processes. In some cases, the financing of such small-scale plants may require new business models.

  1. Displacing the patient

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    2014-01-01

    target groups for which information can be standardized. In the latter approach (market orientation), the patient is also a resource for organizational development. Overall, the strategy presents an information-pursuing patient figure that makes it possible to streamline the organization's care...... in Copenhagen, Denmark. Based on situational analysis of internal documents, the paper gives an empirical account of the work of strategic documents and explores how the documents organize patient communication through displacements of the patient. This paper shows that the hospital’s patient...... communication is not only about disease treatment, but also about ‘information treatment’ for the purpose of increasing patient satisfaction at the hospital. The goal of patient satisfaction addresses both a care-oriented approach to the patient and also deploys market perceptions of patients as homogeneous...

  2. Displacing the Patient

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    as an affective care recipient, as a citizen with rights and as an individual need-oriented user on the one hand. On the other hand, the goal of patient satisfaction also deploys market perceptions of patients as homogeneous target groups to which information can be standardised. In the latter......The analysis is based on an empirical study of a hospital’s communication strategy entitled: 'The Perspective of the Patient'. The paper asks how the strategy organizes communication work as situated displacements of the patient. Based on methodological elements from situational analysis (Clarke...... 2005) the analysis examines how the hospital’s patient communication is not just about disease treatment, but rather about information treatment of the patient in order to attain a high level of patient satisfaction. The goal of patient satisfaction addresses care-oriented understandings of the patient...

  3. Displacing the patient

    DEFF Research Database (Denmark)

    Pors, Anja Svejgaard

    2012-01-01

    a care-oriented approach to the patient and also deploys market perceptions of patients as homogeneous target groups to which information can be standardized. In the latter approach (market orientation), the patient is also a resource for organizational development. Overall, the strategy presents an......This analysis is based on an empirical study of a Danish hospital‟s communication programme entitled: 'The Perspective of the Patient'. The paper explores how strategic documents of the programme organize the communication work through situated displacements of the patient. Based on methodological...... elements from situational analysis (Clarke 2005) the analysis examines how the hospital‟s patient communication is not only about disease treatment, but rather about information treatment of the patient in order to attain a high level of patient satisfaction. The goal of patient satisfaction addresses both...

  4. Displacement Parameter Inversion for a Novel Electromagnetic Underground Displacement Sensor

    OpenAIRE

    Nanying Shentu; Qing Li; Xiong Li; Renyuan Tong; Nankai Shentu; Guoqing Jiang; Guohua Qiu

    2014-01-01

    Underground displacement monitoring is an effective method to explore deep into rock and soil masses for execution of subsurface displacement measurements. It is not only an important means of geological hazards prediction and forecasting, but also a forefront, hot and sophisticated subject in current geological disaster monitoring. In previous research, the authors had designed a novel electromagnetic underground horizontal displacement sensor (called the H-type sensor) by combining basic el...

  5. Displacement Parameter Inversion for a Novel Electromagnetic Underground Displacement Sensor

    Directory of Open Access Journals (Sweden)

    Nanying Shentu

    2014-05-01

    Full Text Available Underground displacement monitoring is an effective method to explore deep into rock and soil masses for execution of subsurface displacement measurements. It is not only an important means of geological hazards prediction and forecasting, but also a forefront, hot and sophisticated subject in current geological disaster monitoring. In previous research, the authors had designed a novel electromagnetic underground horizontal displacement sensor (called the H-type sensor by combining basic electromagnetic induction principles with modern sensing techniques and established a mutual voltage measurement theoretical model called the Equation-based Equivalent Loop Approach (EELA. Based on that work, this paper presents an underground displacement inversion approach named “EELA forward modeling-approximate inversion method”. Combining the EELA forward simulation approach with the approximate optimization inversion theory, it can deduce the underground horizontal displacement through parameter inversion of the H-type sensor. Comprehensive and comparative studies have been conducted between the experimentally measured and theoretically inversed values of horizontal displacement under counterpart conditions. The results show when the measured horizontal displacements are in the 0–100 mm range, the horizontal displacement inversion discrepancy is generally tested to be less than 3 mm under varied tilt angles and initial axial distances conditions, which indicates that our proposed parameter inversion method can predict underground horizontal displacement measurements effectively and robustly for the H-type sensor and the technique is applicable for practical geo-engineering applications.

  6. Displacement parameter inversion for a novel electromagnetic underground displacement sensor.

    Science.gov (United States)

    Shentu, Nanying; Li, Qing; Li, Xiong; Tong, Renyuan; Shentu, Nankai; Jiang, Guoqing; Qiu, Guohua

    2014-01-01

    Underground displacement monitoring is an effective method to explore deep into rock and soil masses for execution of subsurface displacement measurements. It is not only an important means of geological hazards prediction and forecasting, but also a forefront, hot and sophisticated subject in current geological disaster monitoring. In previous research, the authors had designed a novel electromagnetic underground horizontal displacement sensor (called the H-type sensor) by combining basic electromagnetic induction principles with modern sensing techniques and established a mutual voltage measurement theoretical model called the Equation-based Equivalent Loop Approach (EELA). Based on that work, this paper presents an underground displacement inversion approach named "EELA forward modeling-approximate inversion method". Combining the EELA forward simulation approach with the approximate optimization inversion theory, it can deduce the underground horizontal displacement through parameter inversion of the H-type sensor. Comprehensive and comparative studies have been conducted between the experimentally measured and theoretically inversed values of horizontal displacement under counterpart conditions. The results show when the measured horizontal displacements are in the 0-100 mm range, the horizontal displacement inversion discrepancy is generally tested to be less than 3 mm under varied tilt angles and initial axial distances conditions, which indicates that our proposed parameter inversion method can predict underground horizontal displacement measurements effectively and robustly for the H-type sensor and the technique is applicable for practical geo-engineering applications. PMID:24858960

  7. Measuring vulnerability to disaster displacement

    Science.gov (United States)

    Brink, Susan A.; Khazai, Bijan; Power, Christopher; Wenzel, Friedemann

    2015-04-01

    Large scale disasters can cause devastating impacts in terms of population displacement. Between 2008 and 2013, on average 27 million people were displaced annually by disasters (Yonetani 2014). After large events such as hurricane Katrina or the Port-au-Prince earthquake, images of inadequate public shelter and concerns about large scale and often inequitable migration have been broadcast around the world. Population displacement can often be one of the most devastating and visible impacts of a natural disaster. Despite the importance of population displacement in disaster events, measures to understand the socio-economic vulnerability of a community often use broad metrics to estimate the total socio-economic risk of an event rather than focusing on the specific impacts that a community faces in a disaster. Population displacement is complex and multi-causal with the physical impact of a disaster interacting with vulnerability arising from the response, environmental issues (e.g., weather), cultural concerns (e.g., expectations of adequate shelter), and many individual factors (e.g., mobility, risk perception). In addition to the complexity of the causes, population displacement is difficult to measure because of the wide variety of different terms and definitions and its multi-dimensional nature. When we speak of severe population displacement, we may refer to a large number of displaced people, an extended length of displacement or associated difficulties such as poor shelter quality, risk of violence and crime in shelter communities, discrimination in aid, a lack of access to employment or other difficulties that can be associated with large scale population displacement. We have completed a thorough review of the literature on disaster population displacement. Research has been conducted on historic events to understand the types of negative impacts associated with population displacement and also the vulnerability of different groups to these impacts. We

  8. Rhodium and copper-catalyzed asymmetric conjugate addition of alkenyl nucleophiles.

    Science.gov (United States)

    Müller, Daniel; Alexakis, Alexandre

    2012-12-25

    Since the initial reports in the mid-90s, metal catalyzed asymmetric conjugate addition (ACA) reactions evolved as an important tool for the synthetic chemist. Most of the research efforts have been done in the field of rhodium and copper catalyzed ACA reactions employing aryl and alkyl nucleophiles. Despite the great synthetic value of the double bond, the addition of alkenyl nucleophiles remains insufficiently explored. In this account, an overview of the developments in the field of rhodium and copper catalyzed ACA reactions with organometallic alkenyl reagents (B, Mg, Al, Si, Zr, Sn) will be provided. The account is intended to give a comprehensive overview of all the existing methods. However, in many cases only selected examples are displayed in order to facilitate comparison of different ligands and methodologies. PMID:23096501

  9. Catalytic Chemo- and Regioselective Coupling of 1,3-Dicarbonyls with N-Heterocyclic Nucleophiles.

    Science.gov (United States)

    Kenny, Miles; Kitson, Daniel J; Franckevičius, Vilius

    2016-06-17

    The development of a decarboxylative palladium-catalyzed coupling of 1,3-dicarbonyl compounds with indole, pyrrole, imidazole, and pyrazole nucleophiles via an allylic linker under neutral conditions is disclosed. This process enables the installation of an all-carbon quaternary center and new C-C and C-N bonds in a single operation. Despite the weakly acidic nature of N-heterocycles, the reactions proceed with good efficiency and complete regio- and chemoselectivity. PMID:27211875

  10. Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.

    Science.gov (United States)

    Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen

    2016-09-14

    A growing number of halogenated organic compounds have been identified as hazardous pollutants. Although numerous advanced oxidative processes have been developed to degrade organohalide compounds, reductive and nucleophilic molecular approaches to dehalogenate organic compounds have rarely been reported. In this manuscript, we employ nickel(ii)-ate complexes bearing the o-phenylenebis(N-methyloxamide) (Me2opba) tetraanionic ligand as nucleophilic reagents that can react with alkyl halides (methyl up to the bulky isobutyl) by O-alkylation to give their respective imidate products. Four new nickel(ii) complexes have been characterized by X-ray crystallography, and the salient structural parameters and FT-IR vibrational bands (∼1655 cm(-1)) concur with their assignment as the imidate tautomeric form. To the best of our knowledge, this is the first report on the nucleophilic reactivity of Ni(II)(Me2opba) with halogenated organic compounds. The parent nickel(ii) Me2opba complex exhibits reversible electrochemical oxidation and reduction behavior. As a proof of concept, Ni(II)(Me2opba) and its alkylated congeners were utilized for the electrocatalytic reduction of chloroform, as a representative, simple polyhalogenated organic molecule that could arise from the oxidative treatment of organic compounds by chlorination. Modest turnover numbers of up to 6 were recorded, with dichloromethane identified as one of the possible products. Future efforts are directed towards bulkier -ate complexes that possess metal-centered instead of ligand-centered nucleophilic activity to create more effective electrocatalysts for the reduction of halogenated organic compounds. PMID:27506275

  11. From carbanions to organometallic compounds: quantification of metal ion effects on nucleophilic reactivities.

    Science.gov (United States)

    Corral-Bautista, Francisco; Klier, Lydia; Knochel, Paul; Mayr, Herbert

    2015-10-12

    The influence of the metal on the nucleophilic reactivities of indenyl metal compounds was quantitatively determined by kinetic investigations of their reactions with benzhydrylium ions (Ar2 CH(+) ) and structurally related quinone methides. With the correlation equation log k2 =sN (N+E), it can be derived that the ionic indenyl alkali compounds are 10(18) to 10(24) times more reactive (depending on the reference electrophile) than the corresponding indenyltrimethylsilane. PMID:25951612

  12. Nucleophile aromatische Substitution als Werkzeug zur Funktionalisierung von Polyvinylaminen und Hybridmaterialien

    OpenAIRE

    Roth, Isabelle

    2007-01-01

    Die nucleophile aromatische Substitution von ausgewählten aktivierten Fluoraromaten mit Polyvinylaminen wurde in Wasser untersucht, um neue chromophore wasserlösliche Polyelektrolyte zu synthetisieren. Die Löslichkeit der nitrogruppentragenden Fluorverbindungen in Wasser wurde durch Komplexierung mittels 2,6-O-Dimethyl-beta-Cyclodextrin vermittelt. Die chromophoren Einheiten von funktionalisierten Polyvinylaminen weisen interessante optische Eigenschaften sowohl in Abhängigkeit vom pH-Wert al...

  13. Mechanistic study of secondary organic aerosol components formed from nucleophilic addition reactions of methacrylic acid epoxide

    Science.gov (United States)

    Birdsall, A. W.; Miner, C. R.; Mael, L. E.; Elrod, M. J.

    2014-12-01

    Recently, methacrylic acid epoxide (MAE) has been proposed as a precursor to an important class of isoprene-derived compounds found in secondary organic aerosol (SOA): 2-methylglyceric acid (2-MG) and a set of oligomers, nitric acid esters, and sulfuric acid esters related to 2-MG. However, the specific chemical mechanisms by which MAE could form these compounds have not been previously studied with experimental methods. In order to determine the relevance of these processes to atmospheric aerosol, MAE and 2-MG have been synthesized and a series of bulk solution-phase experiments aimed at studying the reactivity of MAE using nuclear magnetic resonance (NMR) spectroscopy have been performed. The present results indicate that the acid-catalyzed MAE reaction is more than 600 times slower than a similar reaction of an important isoprene-derived epoxide, but is still expected to be kinetically feasible in the atmosphere on more acidic SOA. The specific mechanism by which MAE leads to oligomers was identified, and the reactions of MAE with a number of atmospherically relevant nucleophiles were also investigated. Because the nucleophilic strengths of water, sulfate, alcohols (including 2-MG), and acids (including MAE and 2-MG) in their reactions with MAE were found to be of similar magnitudes, it is expected that a diverse variety of MAE + nucleophile product species may be formed on ambient SOA. Thus, the results indicate that epoxide chain reaction oligomerization will be limited by the presence of high concentrations of non-epoxide nucleophiles (such as water); this finding is consistent with previous environmental chamber investigations of the relative humidity dependence of 2-MG-derived oligomerization processes and suggests that extensive oligomerization may not be likely on ambient SOA because of other competitive MAE reaction mechanisms.

  14. Palladium-catalyzed insertion of N-tosylhydrazones and trapping with carbon nucleophiles.

    Science.gov (United States)

    Zhou, Ping-Xin; Ye, Yu-Ying; Liang, Yong-Min

    2013-10-01

    A Pd-catalyzed three-component cross-coupling reaction of vinyl iodide, N-tosylhydrazone, and carbon nucleophiles is reported, and a one-pot procedure is also developed. The cross-coupling is proposed to proceed through a palladium-carbene migratory insertion, carbopalladation other than classic palladium-carbene migratory insertion, and β-H elimination. Moreover, the reaction proceeds under mild conditions and with high stereoselectivity. PMID:24070001

  15. Point Coupled Displacement Sensor Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Real-time displacement measurement techniques are needed to acquire aerodynamic and structural system characteristics in flight. This proposal describes the...

  16. Novel nucleophiles enhance the human serum paraoxonase 1 (PON1)-mediated detoxication of organophosphates.

    Science.gov (United States)

    Chambers, Janice E; Chambers, Howard W; Meek, Edward C; Funck, Kristen E; Bhavaraju, Manikanthan H; Gwaltney, Steven R; Pringle, Ronald B

    2015-01-01

    Paraoxonase 1 (PON1) is a calcium-dependent hydrolase associated with serum high-density lipoprotein particles. PON1 hydrolyzes some organophosphates (OPs), including some nerve agents, through nucleophilic attack of hydroxide ion (from water) in the active site. Most OPs are hydrolyzed inefficiently. This project seeks to identify nucleophiles that can enhance PON1-mediated OP degradation. A series of novel nucleophiles, substituted phenoxyalkyl pyridinium oximes, has been synthesized which enhance the degradation of surrogates of sarin (nitrophenyl isopropyl methylphosphonate; NIMP) and VX (nitrophenyl ethyl methylphosphonate; NEMP). Two types of in vitro assays have been conducted, a direct assay using millimolar concentrations of substrate with direct spectrophotometric quantitation of a hydrolysis product (4-nitrophenol) and an indirect assay using submicromolar concentrations of substrate with quantitation by the level of inhibition of an exogenous source of acetylcholinesterase from non-hydrolyzed substrate. Neither NIMP nor NEMP is hydrolyzed effectively by PON1 if one of these novel oximes is absent. However, in the presence of eight novel oximes, PON1-mediated degradation of both surrogates occurs. Computational modeling has created a model of PON1 embedded in phospholipid and has indicated general agreement of the binding enthalpies with the relative efficacy as PON1 enhancers. PON1 enhancement of degradation of OPs could be a unique and unprecedented mechanism of antidotal action. PMID:25304213

  17. Automated electrophilic radiosynthesis of [18F]FBPA using a modified nucleophilic GE TRACERlab FXFDG

    International Nuclear Information System (INIS)

    We modified a commercially available synthesis module for nucleophilic [18F]fluorinations (TRACERlabTM FXFDG, GE Healthcare) to enable the reliable synthesis of 2-[18F]fluoro-4-borono-L-phenylalanine ([18F]FBPA) via direct electrophilic substitution of 4-borono-L-phenylalanine with [18F]F2 gas. [18F]FBPA was obtained with a RCY of 8.5±2.0% and a radiochemical purity of 98±1% in a total synthesis time of 72±7 min (n=22). The modified synthesis module might also be useful for the synthesis of other [18F]radiopharmaceuticals via electrophilic substitution reactions while still being suitable for nucleophilic substitution reactions. - Highlights: • Automated synthesis of [18F]FBPA was developed via reaction of BPA with [18F]F2. • [18F]FBPA was obtained with a RCY of 8.5±2.0%. • Nucleophilic synthesis module was adapted for electrophilic [18F]fluorinations. • Modified synthesis module may also enable other electrophilic [18F]fluorinations

  18. Annulation of thioimidates and vinyl carbodiimides to prepare 2-aminopyrimidines, competent nucleophiles for intramolecular alkyne hydroamination. Synthesis of (-)-crambidine.

    Science.gov (United States)

    Perl, Nicholas R; Ide, Nathan D; Prajapati, Sudeep; Perfect, Hahdi H; Durón, Sergio G; Gin, David Y

    2010-02-17

    A convergent synthesis of (-)-crambidine is reported. The sequence capitalizes on two novel key transformations, including a [4+2] annulation of thioimidates with vinyl carbodiimides and an alkyne hydroamination employing 2-aminopyrimidine nucleophiles. PMID:20095555

  19. Displacement, Substitution, Sublimation: A Bibliography.

    Science.gov (United States)

    Pedrini, D. T.; Pedrini, Bonnie C.

    Sigmund Freund worked with the mechanisms of displacement, substitution, and sublimation. These mechanisms have many similarities and have been studied diagnostically and therapeutically. Displacement and substitution seem to fit in well with phobias, hysterias, somatiyations, prejudices, and scapegoating. Phobias, prejudices, and scapegoating…

  20. The management of climate displacement

    Directory of Open Access Journals (Sweden)

    Scott Leckie

    2012-12-01

    Full Text Available Many of those who have fought against displacement now find themselves being advocates for resettlement and relocation. Knowing that displacements will occur as a result of climate change,the humanitarian community will need to work pre-emptively with communities identified as likely to be threatened on the land-based solutions that may be available to them.

  1. A displacement-doubling prism

    International Nuclear Information System (INIS)

    A novel prism has been devised which can be used in place of the ‘flag’ in an optical shadow-sensing type of displacement sensor, for example. In this way, theoretically the displacement sensitivity of the sensor can be doubled. Such a prism has been manufactured, and its displacement-doubling property has been verified. - Highlights: • A new type of glass prism doubles linear displacement of optical beams. • Optical operation has been verified. • Light beams enter and exit at normal incidence to prism's windows. • Optical path length through prism remains constant, as prism is moved. • Designed to double the displacement sensitivity of knife-edge shadow sensors

  2. Oxidative phosphonylation of aromatic compounds

    OpenAIRE

    Effenberger, Franz; Kottmann, Hariolf

    1985-01-01

    Aryl phosphonates can be prepared in good yield from the respective arenes and tri- or dialkyphosphites by either chemical or anodic oxidation. The anodic oxidation proceeds either via phosphinium radical cations, which then attack the arenes electrophilically, or via arene radical cations, which add the trialkylphosphite as nucleophile. Aryl phosphonates are also obtained in good yield by chemical oxidation with peroxodisulfate/AgNO3 in acetonitrile/water or glacial acetic acid. The diethylp...

  3. Aromatic molecules as spintronic devices

    International Nuclear Information System (INIS)

    In this paper, we study the spin-dependent electron transport through aromatic molecular chains attached to two semi-infinite leads. We model this system taking into account different geometrical configurations which are all characterized by a tight binding Hamiltonian. Based on the Green's function approach with a Landauer formalism, we find spin-dependent transport in short aromatic molecules by applying external magnetic fields. Additionally, we find that the magnetoresistance of aromatic molecules can reach different values, which are dependent on the variations in the applied magnetic field, length of the molecules, and the interactions between the contacts and the aromatic molecule

  4. Is Fibular Fracture Displacement Consistent with Tibiotalar Displacement?

    OpenAIRE

    van den Bekerom, Michel P. J.; van Dijk, C. Niek

    2009-01-01

    We believed open reduction with internal fixation is required for supination-external rotation ankle fractures located at the level of the distal tibiofibular syndesmosis (Lauge-Hanssen SER II and Weber B) with 2 mm or more fibular fracture displacement. The rationale for surgery for these ankle fractures is based on the notion of elevated intraarticular contact pressures with lateral displacement. To diagnose these injuries, we presumed that in patients with a fibular fracture with at least ...

  5. "Carbo-aromaticity" and novel carbo-aromatic compounds.

    Science.gov (United States)

    Cocq, Kévin; Lepetit, Christine; Maraval, Valérie; Chauvin, Remi

    2015-09-21

    While the concept of aromaticity is being more and more precisely delineated, the category of "aromatic compounds" is being more and more expanded. This is illustrated by an introductory highlight of the various types of "aromaticity" previously invoked, and by a focus on the recently proposed "aromatic character" of the "two-membered rings" of the acetylene and butatriene molecules. This serves as a general foundation for the definition of "carbo-aromaticity", the relevance of which is surveyed through recent results in the synthetic, physical, and theoretical chemistry of carbo-mers and in particular macrocyclic-polycyclic representatives constituting a natural family of "novel aromatic compounds". With respect to their parent molecules, carbo-mers are constitutionally defined as "carbon-enriched", and can also be functionally regarded as "π-electron-enriched". This is exemplified by recent experimental and theoretical results on functional, aromatic, rigid, σ,π-macrocyclic carbo-benzene archetypes of various substitution patterns, with emphasis on the quadrupolar pattern. For the purpose of comparison, several types of non-aromatic references of carbo-benzenes are then considered, i.e. freely rotating σ,π-acyclic carbo-n-butadienes and flexible σ-cyclic, π-acyclic carbo-cyclohexadienes, and to "pro-aromatic" congeners, i.e. rigid σ,π-macrocyclic carbo-quinoids. It is shown that functional carbo-mers are entering the field of "molecular materials" for properties such as linear or nonlinear optical properties (e.g. dichromism and two-photon absorption) and single molecule conductivity. Since total or partial carbo-mers of aromatic carbon-allotropes of infinite size such as graphene (graphynes and graphdiynes) and graphite ("graphitynes") have long been addressed at the theoretical or conceptual level, recent predictive advances on the electrical, optical and mechanical properties of such carbo-materials are surveyed. Very preliminary experimental results

  6. Internal displacement in eastern Burma

    Directory of Open Access Journals (Sweden)

    Heather Rae

    2007-07-01

    Full Text Available The history of post-independent Burma is characterisedby numerous conflicts in this extraordinarily heterogeneous country. Since military rule began in 196 2 Burmahas witnessed gross human rights abuses andmassive displacement.

  7. Cyclization of ortho-hydroxycinnamates to coumarins under mild conditions: A nucleophilic organocatalysis approach

    Directory of Open Access Journals (Sweden)

    Florian Boeck

    2012-09-01

    Full Text Available (E-Alkyl ortho-hydroxycinnamates cyclize to coumarins at elevated temperatures of 140–250 °C. We find that the use of tri-n-butylphosphane (20 mol % as a nucleophilic organocatalyst in MeOH solution allows cyclization to take place under much milder conditions (60–70 °C. Several coumarins were prepared, starting from ortho-hydroxyarylaldehydes, by Wittig reaction with Ph3P=CHCO2Me to (E-methyl ortho-hydroxycinnamates, followed by the phosphane catalyzed cyclization.

  8. Hydrocarbation of C≡C bonds: quantification of the nucleophilic reactivity of ynamides.

    Science.gov (United States)

    Laub, Hans A; Evano, Gwilherm; Mayr, Herbert

    2014-05-01

    Donor-substituted diarylcarbenium ions Ar2 CH(+) react with ynamides to give 1-amido-substituted allyl cations (α,β-unsaturated iminium ions). Kinetic studies show that these adducts, which correspond to the addition of a CH bond across the CC bond, are formed stepwise with initial formation of keteniminium ions and subsequent 1,3-hydride shifts. The linear correlations between the second-order rate constants (lg k2 , 20 °C) with the electrophilicity parameters E of the diarylcarbenium ions allow us to include ynamides in our comprehensive nucleophilicity scale and thus predict potential electrophilic reaction partners. PMID:24715471

  9. Highly nucleophilic dipropanolamine chelated boron reagents for aryl-transmetallation to iron complexes.

    Science.gov (United States)

    Dunsford, Jay J; Clark, Ewan R; Ingleson, Michael J

    2015-12-21

    New aryl- and heteroarylboronate esters chelated by dipropanolamine are synthesised directly from boronic acids. The corresponding anionic borates are readily accessible by deprotonation and demonstrate an increase in hydrocarbyl nucleophilicity in comparison to other common borates. The new borates proved competent for magnesium or zinc additive-free, direct boron-to-iron hydrocarbyl transmetallations with well-defined iron(II) (pre)catalysts. The application of the new borate reagents in representative Csp(2)-Csp(3) cross-coupling led to almost exclusive homocoupling unless coupling is performed in the presence of a zinc additive. PMID:26554484

  10. tert-Butanesulfinamides as Nitrogen Nucleophiles in Carbon-Nitrogen Bond Forming Reactions.

    Science.gov (United States)

    Ramirez Hernandez, Johana; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Oble, Julie; Perez-Luna, Alejandro; Poli, Giovanni

    2016-01-01

    The use of tert-butanesulfinamides as nitrogen nucleophiles in carbon-nitrogen bond forming reactions is reviewed. This field has grown in the shadow of the general interest in N-tert-butanesulfinyl imines for asymmetric synthesis and occupies now an important place in its own right in the chemistry of the chiral amine reagent tert-butanesulfinamide. This article provides an overview of the area and emphasizes recent contributions wherein the tert-butanesulfinamides act as chiral auxiliaries or perform as nitrogen donors in metal-catalyzed amination reactions. PMID:26931222

  11. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  12. A novel linear displacement sensor

    Science.gov (United States)

    Yang, Ji-sen; Zhang, Jing; Chen, Xi-hou; Zhang, Tian-heng

    2011-12-01

    With development of time grating technology in the past 10 years, the theory of using time to measure spatial displacement has been completed greatly. In the study of time grating, one novel linear displacement sensor is proposed based on the measurement principles of time grating. The measurement principles of linear displacement are similar to that of angular displacement. Both of them need one endless coordinate with uniform velocity. The theory of linear AC motor is used, and the three-phase winding with equal division space of 120° and three-phase exciting signal with uniform time are utilized to generate the endless moving coordinate with uniform velocity. The magnetic traveling wave arises from the left endpoint and disappears in the right endpoint, and it travels pole pitch distance of W during the periodic time of T with the uniform velocity. When magnetic traveling wave passes by the static probe and the moving probe, the electric signals will be induced on the winding, respectively. Therefore, the linear displacement can be achieved by comparing the phase between the two output induced signals from he static probe and the moving probe. Furthermore, in order to improve the machining technique, four kinds of winding framework are designed to employ. The experimental results show that advantages and disadvantages both exist in the design methods and the precision of experiment results reaches +/-2µm. The next study plan is to choose the most excellent design method through further experiments and improve the precision of displacement sensor greatly.

  13. Non-stabilized nucleophiles in Cu-catalysed dynamic kinetic asymmetric allylic alkylation

    Science.gov (United States)

    You, Hengzhi; Rideau, Emeline; Sidera, Mireia; Fletcher, Stephen P.

    2015-01-01

    The development of new reactions forming asymmetric carbon-carbon bonds has enabled chemists to synthesize a broad range of important carbon-containing molecules, including pharmaceutical agents, fragrances and polymers. Most strategies to obtain enantiomerically enriched molecules rely on either generating new stereogenic centres from prochiral substrates or resolving racemic mixtures of enantiomers. An alternative strategy--dynamic kinetic asymmetric transformation--involves the transformation of a racemic starting material into a single enantiomer product, with greater than 50 per cent maximum yield. The use of stabilized nucleophiles (pKa =50, more than 25 orders of magnitude more basic than the nucleophiles that are typically used in such transformations. Organometallic reagents are generated in situ from alkenes by hydrometallation and give highly enantioenriched products under mild reaction conditions. The method is used to synthesize natural products that possess activity against tuberculosis and leprosy, and an inhibitor of para-aminobenzoate biosynthesis. Mechanistic studies indicate that the reaction proceeds through a rapidly isomerizing intermediate. We anticipate that this approach will be a valuable complement to existing asymmetric catalytic methods.

  14. Configurationally Stable, Enantioenriched Organometallic Nucleophiles in Stereospecific Pd-Catalyzed Cross-Coupling Reactions: An Alternative Approach to Asymmetric Synthesis

    Science.gov (United States)

    Wang, Chao-Yuan; Derosaa, Joseph

    2015-01-01

    Several research groups have recently developed methods to employ configurationally stable, enantioenriched organometallic nucleophiles in stereospecific Pd-catalyzed cross-coupling reactions. By establishing the absolute configuration of a chiral alkyltin or alkylboron nucleophile prior to its use in cross-coupling reactions, new stereogenic centers may be rapidly and reliably generated with preservation of the known initial stereochemistry. While this area of research is still in its infancy, such stereospecific cross-coupling reactions may emerge as simple, general methods to access diverse, optically active products from common enantioenriched organometallic building blocks. This minireview highlights recent progress towards the development of general, stereospecific Pd-catalyzed cross-coupling reactions using configurationally stable organometallic nucleophiles. PMID:26388985

  15. Formation around planetary displaced orbit

    Institute of Scientific and Technical Information of China (English)

    GONG Sheng-ping; LI Jun-feng; BAOYIN He-xi

    2007-01-01

    The paper investigates the relative motion around the planetary displaced orbit. Several kinds of displaced orbits for geocentric and martian cases were discussed. First, the relative motion was linearized around the displaced orbits. Then, two seminatural control laws were investigated for each kind of orbit and the stable regions were obtained for each case. One of the two control laws is the passive control law that is very attractive for engineering practice. However, the two control laws are not very suitable for the Martian mission. Another special semi-natural control law is designed based on the requirement of the Martian mission. The results show that large stable regions exist for the control law.

  16. Perceived Displacement explains Wolfpack Effect

    Directory of Open Access Journals (Sweden)

    Matúš eŠimkovic

    2014-12-01

    Full Text Available We investigate the influence of perceived displacement of moving agent-like stimuli on the performance in dynamic interactive tasks. In order to reliably measure perceived displacement we utilize multiple tasks with different task demands. The perceived center of an agent’s body is displaced in the direction in which the agent is facing and this perceived displacement is larger than the theoretical position of the center of mass would predict. Furthermore, the displacement in the explicit judgment is dissociated from the displacement obtained by the implicit measures. By manipulating the location of the pivot point, we show that it is not necessary to postulate orientation as an additional cue utilized by perception, as has been suggested by earlier studies. These studies showed that the agent’s orientation influences the detection of chasing motion and the detection-related performance in interactive tasks. This influence has been labeled wolfpack effect. In one of the demonstrations of the wolfpack effect participants control a green circle on a display with a computer mouse. It has been shown that participants avoid display areas withagents pointing towards the green circle. Participants do so in favor of areas where the agents point in the direction perpendicular to the circle. We show that this avoidance behavior arises because the agent’s pivot point selected by the earlier studies is different from where people locate the center of agent’s body. As a consequence, the nominal rotation confounds rotation and translation. We show that the avoidance behavior disappears once the pivot point is set to the center of agent’s body.

  17. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  18. Micropropagation of different aromatic plants

    OpenAIRE

    Koleva Gudeva, Liljana; Iljovska Tusev, Jasmina; Trajkova, Fidanka

    2014-01-01

    Aromatic plants have been used for centuries as species, natural flavor, raw material for essential-oil industry and other purposes. Micropropagation has advantage over conventional propagation because of high multiplication rate, but it depends on the performance of the starting material, media composition, phytohormones and environmental factors. In this study, aromatic plants as peppermint (Menta piperita L.) and Menta sp., rosemary (Rosmarinus sp.), rocket (Eruca sativa Mill.), coriand...

  19. Aromatic products from reaction of lignin model compounds with UV-alkaline peroxide

    International Nuclear Information System (INIS)

    A series of guaiacyl and syringyl lignin model compounds and their methylated analogues were reacted with alkaline hydrogen peroxide while irradiating with UV light at 254 nm. The aromatic products obtained were investigated by gas chromatography-mass spectrometry (GC-MS). Guaiacol, syringol and veratrol gave no detectable aromatic products. However, syringol methyl ether gave small amounts of aromatic products, resulting from ring substitution and methoxyl displacement by hydroxyl radicals. Reaction of vanillin and syringaldehyde gave the Dakin reaction products, methoxy-1,4-hydroquinones, while reaction of their methyl ethers yielded benzoic acids. Acetoguaiacone, acetosyringone and their methyl ethers afforded several hydroxylated aromatic products, but no aromatic products were identified in the reaction mixtures from guaiacylpropane and syringylpropane. In contrast, veratrylpropane gave a mixture from which 17 aromatic hydroxylated compounds were identified. It is concluded that for phenolic lignin model compounds, particularly those possessing electrondonating aromatic ring substituents, ring-cleavage reactions involving superoxide radical anions are dominant, whereas for non-phenolic lignin models, hydroxylation reactions through attack of hydroxyl radicals prevail

  20. New bimetallic palladium(ii) and platinum(ii) complexes: studies of the nucleophilic substitution reactions, interactions with CT-DNA, bovine serum albumin and cytotoxic activity.

    Science.gov (United States)

    Jovanović, Snežana; Obrenčević, Katarina; Bugarčić, Živadin D; Popović, Iva; Žakula, Jelena; Petrović, Biljana

    2016-08-01

    Two new dinuclear bimetallic complexes, [{PdCl(bipy)}{μ-(pyrazine)}{PtCl(bipy)}]Cl(ClO4) (1) (bipy is 2,2'-bipyridine) and [{PdCl(en)}{μ-(pyrazine)}{PtCl(en)}]Cl(ClO4) (2) (en is ethylenediamine), have been synthesized and characterized by elemental microanalysis, IR, (1)H NMR spectroscopy and MALDI-TOF mass spectrometry. The pKa values of the coordinated water molecules of the diaqua species were determined as well. Substitution reactions of complexes (1) and (2) with thiourea (Tu), l-methionine (l-Met), l-cysteine (l-Cys), l-histidine (l-His) and guanosine-5'-monophosphate (5'-GMP) were studied under the pseudo-first order conditions as a function of nucleophile concentration and temperature. The order of reactivity of nucleophiles was: Tu > l-Met > l-Cys > l-His > 5'-GMP. Substitution reactions with Tu, l-Cys and l-His were followed by decomposition of bimetallic complexes to the corresponding substituted mononuclear complexes [Pd(N-N)(Nu)2] and [Pt(N-N)(Nu)2] (N-N = bipy, en), releasing the bridging ligand. However, the structures of starting bimetallic complexes were preserved during the reactions with l-Met and 5'-GMP. The absorption spectroscopic study of interactions of calf-thymus DNA (CT-DNA) with complexes (1), (2) and [{PdCl(bipy)}{μ-(NH2(CH2)6H2N)} {PtCl(bipy)}]Cl(ClO4) (3), has shown that all the complexes exhibit high intrinsic binding constants (Kb = 10(4)-10(5) M(-1)). DNA-ethidium bromide (DNA-EB) fluorescence was quenched after addition of complexes (1), (2) or (3), indicating displacement of intercalating EB by complexes. All complexes have shown good binding affinity to bovine serum albumin protein (BSA). Chemosensitivity of A375 (human melanoma) and HeLa (human cervical cancer) cell lines toward complexes (1), (2) and (3) was analyzed by SRB assay. Complex (1) displayed significant inhibitory effect on the growth of both cell lines. PMID:27431616

  1. DISPLACEMENT BASED SEISMIC DESIGN METHODS.

    Energy Technology Data Exchange (ETDEWEB)

    HOFMAYER,C.MILLER,C.WANG,Y.COSTELLO,J.

    2003-07-15

    A research effort was undertaken to determine the need for any changes to USNRC's seismic regulatory practice to reflect the move, in the earthquake engineering community, toward using expected displacement rather than force (or stress) as the basis for assessing design adequacy. The research explored the extent to which displacement based seismic design methods, such as given in FEMA 273, could be useful for reviewing nuclear power stations. Two structures common to nuclear power plants were chosen to compare the results of the analysis models used. The first structure is a four-story frame structure with shear walls providing the primary lateral load system, referred herein as the shear wall model. The second structure is the turbine building of the Diablo Canyon nuclear power plant. The models were analyzed using both displacement based (pushover) analysis and nonlinear dynamic analysis. In addition, for the shear wall model an elastic analysis with ductility factors applied was also performed. The objectives of the work were to compare the results between the analyses, and to develop insights regarding the work that would be needed before the displacement based analysis methodology could be considered applicable to facilities licensed by the NRC. A summary of the research results, which were published in NUREGICR-6719 in July 2001, is presented in this paper.

  2. Effect of solid particle loading on nucleophilic addition of epoxy-resin to isophorone diisocyanate

    Institute of Scientific and Technical Information of China (English)

    Wei Zhang; Richard S.Blackburn; Abbas A.Dehghani-Sanij

    2008-01-01

    In the preparation of surface coatings made of conductive composites consisting of conductive particulate fillers in a soft matrix, cracks will develop with increase of the particulate loading, which is believed to be related to the nucleophilic addition reaction between glycidyl end-capped poly (bisphenol A-co-epichlorohydrin) and isophorone diisocyanate molecules. This curing reaction is responsible for the generation of cross-linking network throughout the coatings. The influence of solid particle loading on the chemical reaction may be described as a volume-excluded effect, that is, the high solid particle loading will occupy the space between the functional groups thus preventing the chemical reaction to take place. As a direct consequence, the cross-linking network cannot develop properly due to the insufficiency of curing reaction. This will lead to the generation of cracks, as was supported by FT-IR analysis in this work.

  3. Taming of fluoroform: direct nucleophilic trifluoromethylation of Si, B, S, and C centers.

    Science.gov (United States)

    Prakash, G K Surya; Jog, Parag V; Batamack, Patrice T D; Olah, George A

    2012-12-01

    Fluoroform (CF(3)H), a large-volume by-product of the manufacture of Teflon, refrigerants, polyvinylidene fluoride (PVDF), fire-extinguishing agents, and foams, is a potent and stable greenhouse gas that has found little practical use despite the growing importance of trifluoromethyl (CF3) functionality in more structurally elaborate pharmaceuticals, agrochemicals, and materials. Direct nucleophilic trifluoromethylation using CF(3)H has been a challenge. Here, we report on a direct trifluoromethylation protocol using close to stoichiometric amounts of CF(3)H in common organic solvents such as tetrahydrofuran (THF), diethyl ether, and toluene. The methodology is widely applicable to a variety of silicon, boron, and sulfur-based electrophiles, as well as carbon-based electrophiles. PMID:23224551

  4. Highly Defined Multiblock Copolypeptoids: Pushing the Limits of Living Nucleophilic Ring-Opening Polymerization

    KAUST Repository

    Fetsch, Corinna

    2012-06-05

    Advanced macromolecular engineering requires excellent control over the polymerization reaction. Living polymerization methods are notoriously sensitive to impurities, which makes a practical realization of such control very challenging. Reversible-deactivation radical polymerization methods are typically more robust, but have other limitations. Here, we demonstrate by repeated (ge;10 times) chain extension the extraordinary robustness of the living nucleophilic ring-opening polymerization of N-substituted glycine N-carboxyanhydrides, which yields polypeptoids. We observe essentially quantitative end-group fidelity under experimental conditions that are comparatively easily managed. This is employed to synthesize a pentablock quinquiespolymer with high definition. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Nucleophilic addition-triggered lanthanide luminescence allows detection of amines by Eu(thenoyltrifluoroacetone)3.

    Science.gov (United States)

    Zhou, Zhan; Wang, Qianming; Lin, Jintai; Chen, Yanna; Yang, Chuqin

    2012-01-01

    Herein, a novel fluorescent indicator for the real-time monitoring of amines is described. This probe contains a complex of europium-(thenoyltrifluoroacetone)(3) (Eu(TTA)(3)) that efficiently reacts with primary and secondary amines. The electron-withdrawing trifluoroacetyl undergoes a nucleophilic addition with amines, and the complex was used to selectively detect BuNH(2) and Et(2) NH (quenching concentration for BuNH(2): 10(-4) M, for Et(2)NH: 1.2 × 10(-3) M) by monitoring emission; no changes were observed in the emission spectrum of Eu(TTA)(3) in the presence of Et(3)N, [Bu(4)N]Cl, or PhNH(2) in aqueous solution (THF/H(2)O = 1:1). The ratio of emission intensity to amine concentration was linear by the least-squares fitting method. PMID:22458513

  6. Mechanism of Oxidative Amidation of Nitroalkanes with Oxygen and Amine Nucleophiles by Using Electrophilic Iodine.

    Science.gov (United States)

    Li, Jing; Lear, Martin J; Kwon, Eunsang; Hayashi, Yujiro

    2016-04-11

    Recently, we developed a direct method to oxidatively convert primary nitroalkanes into amides that entailed mixing an iodonium source with an amine, base, and oxygen. Herein, we systematically investigated the mechanism and likely intermediates of such methods. We conclude that an amine-iodonium complex first forms through N-halogen bonding. This complex reacts with aci-nitronates to give both α-iodo- and α,α-diiodonitroalkanes, which can act as alternative sources of electrophilic iodine and also generate an extra equimolar amount of I(+) under O2. In particular, evidence supports α,α-diiodonitroalkane intermediates reacting with molecular oxygen to form a peroxy adduct; alternatively, these tetrahedral intermediates rearrange anaerobically to form a cleavable nitrite ester. In either case, activated esters are proposed to form that eventually reacts with nucleophilic amines in a traditional fashion. PMID:26938791

  7. The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes

    International Nuclear Information System (INIS)

    Treatment of U(BH4)4 with 1 or 3 equiv of Li2(SCS). 1.5Et2O, 1, afforded the actinide carbene complexes U(μ-SCS)3[U(BH4)3]2 (4) and U(μ-SCS)3[Li(Et2O)]2 (6), respectively [SCS = (Ph2P = S)2C]. In THF, complex 4 was transformed into the mononuclear derivative (SCS)U(BH4)2(THF)2 (5). The multiple bond character of the uranium-carbon bond was first revealed by the X-ray crystal structures of the three complexes. The U=C bond in these complexes present a nucleophilic character, as shown by their reaction with a carbonyl derivative. Finally, DFT calculations prove the involvement of both 5f and 6d orbitals in both the σ and the π U-C bonds. (authors)

  8. Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides.

    Science.gov (United States)

    Everson, Daniel A; Jones, Brittany A; Weix, Daniel J

    2012-04-11

    A general method is presented for the synthesis of alkylated arenes by the chemoselective combination of two electrophilic carbons. Under the optimized conditions, a variety of aryl and vinyl bromides are reductively coupled with alkyl bromides in high yields. Under similar conditions, activated aryl chlorides can also be coupled with bromoalkanes. The protocols are highly functional-group tolerant (-OH, -NHTs, -OAc, -OTs, -OTf, -COMe, -NHBoc, -NHCbz, -CN, -SO(2)Me), and the reactions are assembled on the benchtop with no special precautions to exclude air or moisture. The reaction displays different chemoselectivity than conventional cross-coupling reactions, such as the Suzuki-Miyaura, Stille, and Hiyama-Denmark reactions. Substrates bearing both an electrophilic and nucleophilic carbon result in selective coupling at the electrophilic carbon (R-X) and no reaction at the nucleophilic carbon (R-[M]) for organoboron (-Bpin), organotin (-SnMe(3)), and organosilicon (-SiMe(2)OH) containing organic halides (X-R-[M]). A Hammett study showed a linear correlation of σ and σ(-) parameters with the relative rate of reaction of substituted aryl bromides with bromoalkanes. The small ρ values for these correlations (1.2-1.7) indicate that oxidative addition of the bromoarene is not the turnover-frequency determining step. The rate of reaction has a positive dependence on the concentration of alkyl bromide and catalyst, no dependence upon the amount of zinc (reducing agent), and an inverse dependence upon aryl halide concentration. These results and studies with an organic reductant (TDAE) argue against the intermediacy of organozinc reagents. PMID:22463689

  9. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  10. Synthesis of o-Chlorophenols via an Unexpected Nucleophilic Chlorination of Quinone Monoketals Mediated by N, N′-Dimethylhydrazine Dihydrochloride

    OpenAIRE

    Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping

    2014-01-01

    An unexpected nucleophilic chlorination of a quinone monoketal while carrying out a pyrazolidine synthesis has led to a general preparation of multisubstituted phenols. The products are obtained in good to high yields under mild conditions. The bridged pyrazolidines that were the original targets are obtained in the presence of a protic solvent.

  11. Citrus Peel Additives for One-Pot Triazole Formation by Decarboxylation, Nucleophilic Substitution, and Azide-Alkyne Cycloaddition Reactions

    Science.gov (United States)

    Mendes, Desiree E.; Schoffstall, Allen M.

    2011-01-01

    This undergraduate organic laboratory experiment consists of three different reactions occurring in the same flask: a cycloaddition reaction, preceded by decarboxylation and nucleophilic substitution reactions. The decarboxylation and cycloaddition reactions occur using identical Cu(I) catalyst and conditions. Orange, lemon, and other citrus fruit…

  12. Preparation of n.c.a. [18F]-CH2BrF via aminopolyether supported nucleophilic substitution

    International Nuclear Information System (INIS)

    A complex of the macrocyclic aminopolyether Kryptofix 2.2.2. and potassium carbonate was used to synthesize the positron emission tomography radiopharmaceutical, [18F]-CH2BrF, from dibromomethane. At the no-carrier-added level the nucleophilic 18F-for-Br exchange gives rise to a corrected radiochemical yield up to 62%. (author)

  13. Synthesis of 4-Methylene-2-cyclohexenones and Their Aromatization Reaction toward para-Methoxylmethyl Anisole Derivatives

    International Nuclear Information System (INIS)

    We and other groups have reported the selective introduction of nucleophiles at the secondary benzylic position of the Baylis-Hillman acetates via the corresponding DABCO salts. Thus, we envisioned that we could prepare 4-methylene- 2-cyclohexenone skeleton and para-methoxymethyl anisoles by combining the DABCO salt concept and the aromatization reaction with iodine in methanol. Suitably substituted anisoles are useful as the starting materials for the fragrances, dyes and pesticides, as antioxidants in oils and fats, or as stabilizers of plastics. Moreover, paramethoxymethyl anisoles have been used for the kinetic acetalization of diol or amino alcohol systems in the presence of DDQ5 during the synthesis of (+)-FR900482, taxotere side chain,5c cyclopropyl lactone oxylipins, and erythromycin A.

  14. Spectroscopic Evidence for Covalent Binding of Sulfadiazine to Natural Soils via 1,4-nucleophilic addition (Michael Type Addition) studied by Spin Labeling ESR

    Science.gov (United States)

    Aleksandrova, Olga

    2015-04-01

    with different polarity. As shown by the spin labeling ESR experiment, molecules modeling SDZ were promptly bound to non-hydrolysable network of soil organic matter only via the aromatic amines that was accompanied by a prompt enlargement of humic particles binding aromatic amines, whereas binding of decomposition products of SDZ to humic acids of soil via the aliphatic amines was not observable. The ESR spectra obviously showed a single-phase process of covalent binding of the aromatic amines. Repeated washouts of labeled soil samples using distil water and ultrafiltration through the membrane of 5000 MWCO PES confirmed irreversible binding of the aromatic amines, and showed that via the aliphatic amines, binding of SDZ or decomposition products of SDZ to soil might also occur but reversibly and only to small soil molecules, which don't enter into the composition of non-hydrolysable part of soil organic matter. SL ESR experiments of different soils at the presence of Laccase highlighted that covalent binding of the aromatic amines to humic particles occurred in the specific hydrophobic areas of soil found as depleted in oxygen. All measured data evidenced that first, SDZ might be decomposed that allowed for measuring the same change of a paramagnetic signal of soil organic matter influenced by both aromatic and aliphatic amines as in the experiment of the interaction of soil with SDZ. Second, a decomposition product of SDZ with the aromatic amine might be bound to non-hydrolysable parts of soil organic matter under specific anaerobic conditions only via 1,4 - nucleophilic addition, Michael-type addition. Gulkowska, A., Thalmann, B., D., Hollender, J., & Krauss, M. (2014). Chemosphere, 107, 366 - 372. Müller, T., Rosendahl, I., Focks, A., Siemens, J., Klasmeier, J., & Matthies. (2013). Environmental Pollution, 172,180 - 185. Nowak, K.M., Miltner, A., Gehre, M., Schaeffer, A., & Kaestner, M. (2011). Environmental Science & Technology 45, 999 - 1006. Weber, E.J., Spidle

  15. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    Pankaj Kumar Arora

    2015-08-01

    Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

  16. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

    2016-02-26

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  17. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    International Nuclear Information System (INIS)

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”

  18. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Directory of Open Access Journals (Sweden)

    Rajagopal Appavu

    2016-03-01

    Full Text Available While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  19. Solvent-free functionalization of fullerene C60 and pristine multi-walled carbon nanotubes with aromatic amines

    Science.gov (United States)

    Ramírez-Calera, Itzel J.; Meza-Laguna, Victor; Gromovoy, Taras Yu.; Chávez-Uribe, Ma. Isabel; Basiuk, Vladimir A.; Basiuk, Elena V.

    2015-02-01

    We employed a direct one-step solvent-free covalent functionalization of solid fullerene C60 and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180-250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, 13C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C60 molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C60, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine.

  20. PHASE CONVERTER OF COMPOSING DISPLACEMENT

    OpenAIRE

    SMIRNOV YU.S.; Lysov, A. N.; E.V. Yurasova; SAFRONOV V.V.; VSTAVSKAYA E.V.

    2016-01-01

    Minimax strategy of mechatronic converters efficiency improving relative to error decrease with velocity increase at the same time provides common dataware level rise. The analysis of usage possibilities of different type position transducers (PT) gives the advantages of resolvers. The subsequent processing of their output signals is performed by “Resolver-to-Digit” Converter (RDC) which provides displacement digital equivalent and digital or analog signals specifying its velocity and acceler...

  1. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie; Andersen, Jeanette Marker; Frydenvang, Karla Andrea; Nielsen, John

    2014-01-01

    We have efficiently synthesized 36 arylopeptoid dimers with ortho-, meta-, and para-substituted aromatic backbones and tert-butyl or phenyl side chains. The dimers were synthesized by using a "submonomer method" on solid phase, by applying a simplified common set of reaction conditions. X......-ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... conformation with a more open, extended structure of the surrounding aromatic backbone. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  2. Technology and Structural Unemployment: Reemploying Displaced Adults.

    Science.gov (United States)

    Congress of the U.S., Washington, DC. Office of Technology Assessment.

    This report concentrates on problems of displaced blue-collar and nonprofessional white-collar workers. Chapter 1 is a summary. Chapter 2 discusses policy issues and options focused on helping people prepare for worklife changes and helping workers to cope if displacement occurs. A definition and description of worker displacement are offered in…

  3. 25 CFR 700.59 - Displaced person.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 2 2010-04-01 2010-04-01 false Displaced person. 700.59 Section 700.59 Indians THE... Policies and Instructions Definitions § 700.59 Displaced person. Displaced person means a member of the... residing within the area partitioned to the Hopi Tribe who must be relocated pursuant to the Act. This...

  4. Proof nets for the Displacement calculus

    OpenAIRE

    Moot, Richard

    2016-01-01

    We present a proof net calculus for the Displacement calculus and show its correctness. This is the first proof net calculus which models the Displacement calculus directly and not by some sort of translation into another formalism. The proof net calculus opens up new possibilities for parsing and proof search with the Displacement calculus.

  5. Survey of Recent Innovations in Aromatic Rice

    OpenAIRE

    Napasintuwong, Orachos

    2012-01-01

    This paper provides situations of aromatic rice demand, and international standards. The history and recent developments of traditional and evolved aromatic rice varieties, namely Basmati rice and Jasmine rice, are reviewed. The emerging aromatic rice innovations from developed countries such as the U.S. and other Asian countries generate a threat to these traditional aromatic rice producers such as India, Pakistan, and Thailand. Under WTO Trade Related Aspects of Intellectual Property Rights...

  6. Electromagnetic device of linear displacement

    International Nuclear Information System (INIS)

    The device moves a rod integral with a nuclear reactor control element. It has a grab for the rod operated by a mobil pole drive by a coil carried by a surrounding sealed casing, a second grab with fixed and mobile poles with facing surfaces shaped to limit the variation of magnetic force with distance between them, and a plunger driven by a coil to bear against another mobile pole moved by a coil. The invention proposes a device ensuring a displacement while the impact forces at the different level of the mechanism are reduced

  7. Displaced Children: The Psychological Implications.

    Science.gov (United States)

    Joshi, Paramjit T; Fayyad, John A

    2015-10-01

    Millions of people across the world have been displaced or live in exile and/or as refugees largely as a consequence of wars, acts of terrorism, and catastrophic natural disasters. There are serious psychological consequences as a result of these extremely difficult life circumstances. Adults often can express their needs and have them be heard, whereas children are unable to do so. The children may be provided food, shelter, and clothing and have their medical needs attended to, but their emotional and psychological needs go unrecognized and unmet, with dire and monumental long-term consequences. PMID:26346385

  8. Photocatalytic nucleophilic addition of alcohols to styrenes in Markovnikov and anti-Markovnikov orientation

    Directory of Open Access Journals (Sweden)

    Martin Weiser

    2015-04-01

    Full Text Available The nucleophilic addition of methanol and other alcohols to 1,1-diphenylethylene (1 and styrene (6 into the Markovnikov- and anti-Markovnikov-type products was selectively achieved with 1-(N,N-dimethylaminopyrene (Py and 1,7-dicyanoperylene-3,4:9,10-tetracarboxylic acid bisimide (PDI as photoredox catalysts. The regioselectivity was controlled by the photocatalyst. For the reductive mode towards the Markovnikov-type regioselectivity, Py was applied as photocatalyst and triethylamine as electron shuttle. This approach was also used for intramolecular additions. For the oxidative mode towards the anti-Markovnikov-type regioselectivety, PDI was applied together with Ph–SH as additive. Photocatalytic additions of a variety of alcohols gave the corresponding products in good to excellent yields. The proposed photocatalytic electron transfer mechanism was supported by detection of the PDI radical anion as key intermediate and by comparison of two intramolecular reactions with different electron density. Representative mesoflow reactor experiments allowed to significantly shorten the irradiation times and to use sunlight as “green” light source.

  9. Theoretical study of nucleophilic halogenalkylation of propylene oxide with halogenmethane and dihalogenmethane anion

    Indian Academy of Sciences (India)

    Tao Liu; Xiang-Chen Yin; Guo-Dong Liu; Zhang-Yu Yu

    2010-11-01

    The nucleophilic halogenalkylation reactions of propylene oxide with halogenmethane anion (CH2X-) and dihalogenmethane anion (CHX$^{-}_{2}$) (X = F, Cl) in the gas phase and in the Et2O solvent are studied using the B3LYP method and the SCIPCM model for simulating solution effects. Our calculations predict the same reaction path for following reactions: (1) (X = F, Cl) and (2) (X = F) in the two phases, but there is a little difference in the relative energy of IM1(2Cl) in the gas phase and in the Et2O solvent for reaction (2) (X = Cl). All the four reactions proceed in two steps. Reactions (1) and (2) are predicted to be exothermic and thermodynamically favourable in both the gas phase and the Et2O solvent. The overall barrier energies for reaction (1) (X = F), reaction (1) (X = Cl), reaction (2) (X = F), and reaction (2) (X = Cl) are predicted to be 2.74 and 4.08 kcal mol-1, 3.35 and 5.20 kcal mol-1, 4.67 and 6.05 kcal mol-1, and 5.33 and 8.23 kcal mol-1 in the gas phase and in the Et2O solvent, respectively. The accurate calculation of results for the model systems would be useful for experimental researchers working in this field.

  10. Routes to covalent catalysis by reactive selection for nascent protein nucleophiles.

    Science.gov (United States)

    Reshetnyak, Andrey V; Armentano, Maria Francesca; Ponomarenko, Natalia A; Vizzuso, Domenica; Durova, Oxana M; Ziganshin, Rustam; Serebryakova, Marina; Govorun, Vadim; Gololobov, Gennady; Morse, Herbert C; Friboulet, Alain; Makker, Sudesh P; Gabibov, Alexander G; Tramontano, Alfonso

    2007-12-26

    Reactivity-based selection strategies have been used to enrich combinatorial libraries for encoded biocatalysts having revised substrate specificity or altered catalytic activity. This approach can also assist in artificial evolution of enzyme catalysis from protein templates without bias for predefined catalytic sites. The prevalence of covalent intermediates in enzymatic mechanisms suggests the universal utility of the covalent complex as the basis for selection. Covalent selection by phosphonate ester exchange was applied to a phage display library of antibody variable fragments (scFv) to sample the scope and mechanism of chemical reactivity in a naive molecular library. Selected scFv segregated into structurally related covalent and noncovalent binders. Clones that reacted covalently utilized tyrosine residues exclusively as the nucleophile. Two motifs were identified by structural analysis, recruiting distinct Tyr residues of the light chain. Most clones employed Tyr32 in CDR-L1, whereas a unique clone (A.17) reacted at Tyr36 in FR-L2. Enhanced phosphonylation kinetics and modest amidase activity of A.17 suggested a primitive catalytic site. Covalent selection may thus provide access to protein molecules that approximate an early apparatus for covalent catalysis. PMID:18044899

  11. Nucleophile-directed selectivity towards linear carbonates in the niobium pentaethoxide-catalysed cycloaddition of CO2 and propylene oxide

    KAUST Repository

    Dutta, Barnali

    2014-01-01

    Homoleptic Nb-complexes combined with selected organic nucleophiles generate very active catalytic systems for the cycloaddition of propylene oxide and CO2 under ambient conditions. An unprecedented reaction pathway towards an acyclic organic carbonate is observed when extending the study to [Nb(OEt)5] in combination with 4-dimethylamino-pyridine (DMAP) or tetra-n-butylammonium bromide (TBAB). Mechanistic insights of the reaction are provided based on experimental and spectroscopic evidences. This journal is © the Partner Organisations 2014.

  12. Catalysis of hydrolysis and nucleophilic substitution at the P-N bond of phosphoimidazolide-activated nucleotides in phosphate buffers

    Science.gov (United States)

    Kanavarioti, A.; Rosenbach, M. T.

    1991-01-01

    Phosphoimidazolide-activated derivatives of guanosine and cytidine 5'-monophosphates, henceforth called ImpN's, exhibit enhanced rates of degradation in the presence of aqueous inorganic phosphate in the range 4.0 < or = pH < or = 8.6. This degradation is been attributed to (i) nucleophilic substitution of the imidazolide and (ii) catalysis of the P-N bond hydrolysis by phosphate. The first reaction results in the formation of nucleoside 5'-diphosphate and the second in nucleoside 5'-monophosphate. Analysis of the observed rates as well as the product ratios as a function of pH and phosphate concentration allow distinction between various mechanistic possibilities. The results show that both H2PO4- and HPO4(2-) participate in both hydrolysis and nucleophilic substitution. Statistically corrected biomolecular rate constants indicate that the dianion is 4 times more effective as a general base than the monoanion, and 8 times more effective as nucleophile. The low Bronsted value beta = 0.15 calculated for these phosphate species, presumed to act as general bases in facilitating water attack, is consistent with the fact that catalysis of the hydrolysis of the P-N bond in ImpN's has not been detected before. The beta nuc = 0.35 calculated for water, H2PO4-, HPO4(2-), and hydroxide acting as nucleophiles indicates a more associative transition state for nucleotidyl (O2POR- with R = nucleoside) transfers than that observed for phosphoryl (PO3(2-)) transfers (beta nuc = 0.25). With respect to the stability/reactivity of ImpN's under prebiotic conditions, our study shows that these materials would not suffer additional degradation due to inorganic phosphate, assuming the concentrations of phosphate, Pi, on prebiotic Earth were similar to those in the present oceans ([Pi] approximately 2.25 micromoles).

  13. Displacement of squeezed propagating microwave states

    Science.gov (United States)

    Fedorov, Kirill G.; Zhong, Ling; Pogorzalek, Stefan; Eder, Peter; Fischer, Michael; Goetz, Jan; Wulschner, Friedrich; Xie, Edwar; Menzel, Edwin; Deppe, Frank; Marx, Achim; Gross, Rudolf

    Displacement of propagating squeezed states is a fundamental operation for quantum communications. It can be applied to fundamental studies of macroscopic quantum coherence and has an important role in quantum teleportation protocols with propagating microwaves. We generate propagating squeezed states using a Josephson parametric amplifier and implement displacement using a cryogenic directional coupler. We study single- and two-mode displacement regimes. For the single-mode displacement we find that the squeezing level of the displaced squeezed state does not depend on the displacement amplitude. Also, we observe that quantum entanglement between two spatially separated channels stays constant across 4 orders of displacement power. We acknowledge support by the German Research Foundation through SFB 631 and FE 1564/1-1, the EU project PROMISCE, and Elite Network of Bavaria through the program ExQM.

  14. A Theoretical Model to Predict Both Horizontal Displacement and Vertical Displacement for Electromagnetic Induction-Based Deep Displacement Sensors

    Directory of Open Access Journals (Sweden)

    Xiong Li

    2011-12-01

    Full Text Available Deep displacement observation is one basic means of landslide dynamic study and early warning monitoring and a key part of engineering geological investigation. In our previous work, we proposed a novel electromagnetic induction-based deep displacement sensor (I-type to predict deep horizontal displacement and a theoretical model called equation-based equivalent loop approach (EELA to describe its sensing characters. However in many landslide and related geological engineering cases, both horizontal displacement and vertical displacement vary apparently and dynamically so both may require monitoring. In this study, a II-type deep displacement sensor is designed by revising our I-type sensor to simultaneously monitor the deep horizontal displacement and vertical displacement variations at different depths within a sliding mass. Meanwhile, a new theoretical modeling called the numerical integration-based equivalent loop approach (NIELA has been proposed to quantitatively depict II-type sensors’ mutual inductance properties with respect to predicted horizontal displacements and vertical displacements. After detailed examinations and comparative studies between measured mutual inductance voltage, NIELA-based mutual inductance and EELA-based mutual inductance, NIELA has verified to be an effective and quite accurate analytic model for characterization of II-type sensors. The NIELA model is widely applicable for II-type sensors’ monitoring on all kinds of landslides and other related geohazards with satisfactory estimation accuracy and calculation efficiency.

  15. Shore line displacement in Oeregrundsgrepen

    International Nuclear Information System (INIS)

    This report is a part of the SKB project 'SAFE' (Safety Assessment of the Final Repository of Radioactive Operational Waste). The aim of project SAFE is to update the previous safety analysis of SFR-1. The analysis is to be presented to the Swedish authorities not later than the end of 2000. SFR-1 is a facility for disposal of low and intermediate level radioactive waste and is situated in bedrock beneath the Baltic Sea, 1 km off the coast near the Forsmark nuclear power plant in Northern Uppland. The shore displacement in the Oeregrundsgrepen area is at present approximately 60 cm per 100 years and is slowly decreasing, but will still be substantial for many thousands of years. Since Oeregrundsgrepen is a relatively shallow part of the Bothnian Sea, the positive shore displacement will greatly effect the proportions of land and sea in the future. Within 2000 years (4000 AD) half of the current water area in Oeregrundsgrepen will be land and the water volume will be decreased with two thirds. At 7000 AD, the whole Oeregrundsgrepen area will be without brackish water. The effects on the landscape evolution due to shore displacement in the Oeregrundsgrepen area are illustrated in a chronological series of digital maps in Power Point format available saved on the supplied CD-rom and entitled 'Elevation.ppt '. The bedrock tectonics in the area are in two dominating directions: one northern that can be seen in the west shoreline of the island Graesoe and one in a north-westerly direction seen in the shoreline of the mainland. Many of the large basins that will be established in the area due to the shore displacement will be elongated in one of these directions. Some of the basins are relatively shallow and therefore probably will be totally filled with organic rich sediments and will form peat or bogs. Other basins, especially Graesoeraennan (the deep channel on the west side of Graesoe) are deep basins and will form a long chain of deep lakes. One of the deeper basins

  16. Searching for Displaced Higgs Decays

    CERN Document Server

    Csaki, Csaba; Lombardo, Salvator; Slone, Oren

    2015-01-01

    We study a simplified model of the SM Higgs boson decaying to a degenerate pair of scalars which travel a macroscopic distance before decaying to SM particles. This is the leading signal for many well-motivated solutions to the hierarchy problem that do not propose additional light colored particles. Bounds for displaced Higgs decays below $10$ cm are found by recasting existing tracker searches from Run I. New tracker search strategies, sensitive to the characteristics of these models and similar decays, are proposed with sensitivities projected for Run II at $\\sqrt{s} = 13 $ TeV. With 20 fb$^{-1}$ of data, we find that Higgs branching ratios down to $7 \\times 10^{-4}$ can be probed for centimeter decay lengths.

  17. Possible displacement of mercury's dipole

    International Nuclear Information System (INIS)

    Earlier attempts to model the Hermean magnetospheric field based on a planet-centered magnetic multipole field have required the addition of a quadrupole moment to obtain a good fit to space vehicle observations. In this work we obtain an equally satisfactory fit by assuming a null quadrupole moment and least squares fitting of the displacement of the planetary dipole from the center of the planet. We find a best fit for a dipole displacement from the planet center of 0.033 R/sub m/ away from the solar direction, 0.025 R/sub m/ toward dawn in the magnetic equatorial plane, and 0.189 R/sub m/ northward along the magnetic dipole axis, where R/sub m/ is the planet radius. Therefore the presence of a magnetic quadrupole moment is not ruled out. The compressed dipole field more completely represents the field in the present work than in previous work where the intrinsic quadrupole field was not included in the magnetopause surface and field calculations. Moreover, we have corrected a programing error in previous work in the computation of dipole tilt lambda away from the sun. We find a slight increase for the planet dipole moment of 190γR/sub m/3 and a dipole tilt angle lambda away from the sun. We find a slight increase for the planet moment of 190γR/sub m/3 and a dipole tilt angle lambda of only 1.20 away from the sun. All other parameters are essentially unchanged

  18. Biodegradation of Polycyclic Aromatic Hydrocarbons

    OpenAIRE

    DEMİR, İsmail; DEMİRBAĞ, Zihni

    1999-01-01

    Polycylic aromatic hydrocarbons (PAHs), such as petroleum and petroleum derivatives, are widespread organic pollutants entering the environment, chiefly, through oil spills and incomplete combustion of fossil fuels. Since most PAHs are persist in the environment for a long period of time and bioaccumulate, they cause environmental pollution and effect biological equilibrium dramatically. Biodegradation of some PAHs by microorganisms has been biochemically and genetically investigated. Ge...

  19. Analysis of heterocyclic aromatic amines.

    Science.gov (United States)

    Murkovic, M

    2007-09-01

    Heterocyclic aromatic amines are formed in protein and amino acid-rich foods at temperatures above 150 degrees C. Of more than twenty heterocyclic aromatic amines identified ten have been shown to have carcinogenic potential. As nutritional hazards, their reliable determination in prepared food, their uptake and elimination in living organisms, including humans, and assessment of associated risks are important food-safety issues. The concentration in foods is normally in the low ng g(-1) range, which poses a challenge to the analytical chemist. Because of the complex nature of food matrixes, clean-up and enrichment of the extracts are also complex, usually involving both cation-exchange (propylsulfonic acid silica gel, PRS) and reversed-phase purification. The application of novel solid-phase extraction cartridges with a wettable apolar phase combined with cation-exchange characteristics simplified this process--both the polar and apolar heterocyclic aromatic amines were recovered in one fraction. Copper phthalocyanine trisulfonate bonded to cotton ("blue cotton") or rayon, and molecular imprinted polymers have also been successfully used for one-step sample clean-up. For analysis of the heterocyclic aromatic amines, liquid chromatography with base-deactivated reversed-phase columns has been used, and, recently, semi-micro and capillary columns have been introduced. The photometric, fluorimetric, or electrochemical detectors used previously have been replaced by mass spectrometers. Increased specificity and sub-ppb sensitivities have been achieved by the use of the selected-reaction-monitoring mode of detection of advanced MS instrumentation, for example the triple quadrupole and Q-TOF instrument combination. Gas chromatography, also with mass-selective detection, has been used for specific applications; the extra derivatization step needed for volatilization has been balanced by the higher chromatographic resolution. PMID:17546447

  20. Nucleophilic substitution in preparation and surface modification of hypercrosslinked stationary phases.

    Science.gov (United States)

    Janků, Simona; Škeříková, Veronika; Urban, Jiří

    2015-04-01

    Four linear diaminoalkanes (1,2-diaminoethane, 1,4-diaminobutane, 1,6-diaminohexane, and 1,8-diaminooctane) have been used to hypercrosslink poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene) monolithic stationary phases by nucleophilic substitution reaction. The column efficiency of polymer monoliths improved with longer diaminoalkane with 1,8-diaminoctane providing the highest efficiency. The concentration of 1,8-diaminoctane, together with hypercrosslinking time and temperature has been optimized. To improve the permeability of prepared columns, the hypercrosslinking modification has been combined with an early termination of polymerization reaction and decrease in polymerization temperature. The optimal column has been prepared by a polymerization reaction for 2h at 65°C and hypercrosslinked in the presence of 3% 1,8-diaminooctane for 2h at 95°C. The repeatability study of the presented protocol provided relative standard deviation for nine columns prepared independently out of three individual polymerization mixtures in between 2.0-12.0% for retention factors and 1.5-6.5% for plate heights, respectively. Further, we have modified residual chloromethyl groups with 2-aminoethanesulfonic acid (taurine) to prepare monolithic columns suitable for separation of small polar molecules in hydrophilic interaction chromatography. The highest retention of polar thiourea showed the column modified at 70°C for 20 h. Taurine-modified hypercrosslinked column showed the minimum of van Deemter curve of 20 μm. The prepared column provided dual-retention mechanism, including hydrophilic interaction and reversed-phase liquid chromatography that can be controlled by the composition of the mobile phase. The prepared column has been successfully used for an isocratic separation of low-molecular phenolic acids. PMID:25728663

  1. Deuterated polycyclic aromatic hydrocarbons: Revisited

    CERN Document Server

    Doney, Kirstin D; Mori, Tamami; Onaka, Takashi; Tielens, A G G M

    2016-01-01

    The amount of deuterium locked up in polycyclic aromatic hydrocarbons (PAHs) has to date been an uncertain value. We present a near-infrared (NIR) spectroscopic survey of HII regions in the Milky Way, Large Magellanic Cloud (LMC), and Small Magellanic Cloud (SMC) obtained with AKARI, which aims to search for features indicative of deuterated PAHs (PAD or Dn-PAH) to better constrain the D/H ratio of PAHs. Fifty-three HII regions were observed in the NIR (2.5-5 {\\mu}m), using the Infrared Camera (IRC) on board the AKARI satellite. Through comparison of the observed spectra with a theoretical model of deuterated PAH vibrational modes, the aromatic and (a)symmetric aliphatic C-D stretch modes were identified. We see emission features between 4.4-4.8 {\\mu}m, which could be unambiguously attributed to deuterated PAHs in only six of the observed sources, all of which are located in the Milky Way. In all cases, the aromatic C-D stretching feature is weaker than the aliphatic C-D stretching feature, and, in the case o...

  2. The direct aromatization of methane

    Energy Technology Data Exchange (ETDEWEB)

    Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

    1995-12-31

    The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

  3. Solvent-free functionalization of fullerene C60 and pristine multi-walled carbon nanotubes with aromatic amines

    International Nuclear Information System (INIS)

    Highlights: • Pristine multi-walled carbon nanotubes were functionalized with aromatic amines. • The amines add onto nanotube defects, likewise they add onto fullerene C60. • The addition takes place at elevated temperature and without organic solvents. • Functionalized nanotubes were characterized by a number of instrumental techniques. - Abstract: We employed a direct one-step solvent-free covalent functionalization of solid fullerene C60 and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180–250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, 13C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C60 molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C60, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine

  4. Solvent-free functionalization of fullerene C{sub 60} and pristine multi-walled carbon nanotubes with aromatic amines

    Energy Technology Data Exchange (ETDEWEB)

    Ramírez-Calera, Itzel J. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico); Meza-Laguna, Victor [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Gromovoy, Taras Yu. [O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of the Ukraine, Gen. Naumova 17, 03164 Kiev (Ukraine); Chávez-Uribe, Ma. Isabel [Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Vladimir A., E-mail: basiuk@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Elena V., E-mail: elbg1111@gmail.com [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico)

    2015-02-15

    Highlights: • Pristine multi-walled carbon nanotubes were functionalized with aromatic amines. • The amines add onto nanotube defects, likewise they add onto fullerene C{sub 60}. • The addition takes place at elevated temperature and without organic solvents. • Functionalized nanotubes were characterized by a number of instrumental techniques. - Abstract: We employed a direct one-step solvent-free covalent functionalization of solid fullerene C{sub 60} and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180–250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, {sup 13}C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C{sub 60} molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C{sub 60}, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine.

  5. Modelling toehold-mediated RNA strand displacement

    CERN Document Server

    Šulc, Petr; Romano, Flavio; Doye, Jonathan P K; Louis, Ard A

    2014-01-01

    We study the thermodynamics and kinetics of an RNA toehold-mediated strand displacement reaction with a recently developed coarse-grained model of RNA. Strand displacement, during which a single strand displaces a different strand previously bound to a complementary substrate strand, is an essential mechanism in active nucleic acid nanotechnology and has also been hypothesized to occur in vivo. We study the rate of displacement reactions as a function of the length of the toehold and temperature and make two experimentally testable predictions: that the displacement is faster if the toehold is placed at the 5' end of the substrate and that the displacement slows down with increasing temperature for longer toeholds.

  6. Rock displacements measured during URL shaft sinking

    International Nuclear Information System (INIS)

    During sinking of the Canadian Underground Research Laboratory (URL) shaft, borehole extensometers were used to obtain rock displacement measurements and a tape extensometer was used to measure total convergences. The instruments, instrument modifications, and methods used are described. The measurements are summarized and assessed, with particular emphasis on the influence of natural fractures on rock-mass response and the performance of the instrumentation. Displacements varied from 0.09 mm to 1.75 mm. The frequency of sub-vertical fractures in the rock appeared to be the main factor causing the variation in the measured displacements. Although the displacement instrumentation met certain operational requirement well, lack of precision was a problem. Displacement instrumentation used in future URL experiments should have more measuring points, greater sensitivity, and greater accuracy to better measure small displacements

  7. Noncomparative scaling of aromaticity through electron itinerancy

    International Nuclear Information System (INIS)

    Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry

  8. Preventing re-displacement through genuine reintegration in Burundi

    Directory of Open Access Journals (Sweden)

    Lucy Hovil

    2012-12-01

    Full Text Available Displacement is often part of a cyclical process of conflict anddisplacement. Preventing displacement, therefore, is not only aboutpreventing new displacement but about ensuring that people do notget re-displaced.

  9. Policies for Displaced Workers: An American Perspective

    OpenAIRE

    O'Leary, Christopher J.

    2009-01-01

    American employment policy for displaced workers started in the Great Depression with programs for the employment service, unemployment insurance, work experience, and direct job creation. Assistance for workers displaced by foreign competition emerged in the 1960s along with formalized programs for occupational job skill training. The policy focus on displaced workers was sharpened in the 1980s through the Worker Adjustment and Retraining Notification Act and the Economic Dislocation and Wor...

  10. Displacement speeds in turbulent premixed flame simulations

    Energy Technology Data Exchange (ETDEWEB)

    Day, Marcus S.; Shepherd, Ian G.; Bell, J.; Grcar, Joseph F.; Lijewski, Michael J.

    2007-07-01

    The theory of turbulent premixed flames is based on acharacterization of the flame as a discontinuous surface propagatingthrough the fluid. The displacement speed, defined as the local speed ofthe flame front normal to itself, relative to the unburned fluid,provides one characterization of the burning velocity. In this paper, weintroduce a geometric approach to computing displacement speed anddiscuss the efficacy of the displacement speed for characterizing aturbulent flame.

  11. Displacing AIDS: therapeutic transitions in Northern Uganda

    OpenAIRE

    Wilhelm-Solomon, M. M.; Alexander, Jocelyn; Daley, Patricia

    2014-01-01

    This doctoral project, entitled 'Displacing AIDS: Therapeutic Transitions in Northern Uganda' examines the biosocial transitions engendered by the treatment of HIV, focusing on antiretroviral therapy (ART/ARV) interventions, and the ways these are intertwined with the social transitions of conflict, displacement and return. The research involved an inter-disciplinary qualitative study with internally displaced communities living with HIV in northern Uganda, during 10 months fieldwork between ...

  12. Microwave Assisted Condensation Reactions of 2-Aryl Hydrazonopropanals with Nucleophilic Reagents and Dimethyl Acetylenedicarboxylate

    Directory of Open Access Journals (Sweden)

    Rita M. Borik

    2007-08-01

    Full Text Available The reaction of methyl ketones 1a-g with dimethylformamide dimethylacetal (DMFDMA afforded the enaminones 2a-g, which were coupled with diazotized aromatic amines 3a,b to give the corresponding aryl hydrazones 6a-h. Condensation of compounds 6a-h with some aromatic heterocyclic amines afforded iminoarylhydrazones 9a-m. Enaminoazo compounds 12a,b could be obtained from condensation of 6c with secondary amines. The reaction of 6e,h with benzotriazolylacetone yielded 14a,b. Also, the reaction of 6a,b,d-f,h with glycine and hippuric acid in acetic anhydride afforded pyridazinone derivatives 17a-f. Synthesis of pyridazine carboxylic acid derivatives 22a,b from the reaction of 6b,e with dimethyl acetylenedicarboxylate (DMAD in the presence of triphenylphosphine at room temperature is also reported. Most of these reactions were conducted under irradiation in a microwave oven in the absence of solvent in an attempt to improve the product yields and to reduce the reaction times.

  13. Displacement of Propagating Squeezed Microwave States.

    Science.gov (United States)

    Fedorov, Kirill G; Zhong, L; Pogorzalek, S; Eder, P; Fischer, M; Goetz, J; Xie, E; Wulschner, F; Inomata, K; Yamamoto, T; Nakamura, Y; Di Candia, R; Las Heras, U; Sanz, M; Solano, E; Menzel, E P; Deppe, F; Marx, A; Gross, R

    2016-07-01

    Displacement of propagating quantum states of light is a fundamental operation for quantum communication. It enables fundamental studies on macroscopic quantum coherence and plays an important role in quantum teleportation protocols with continuous variables. In our experiments, we have successfully implemented this operation for propagating squeezed microwave states. We demonstrate that, even for strong displacement amplitudes, there is no degradation of the squeezing level in the reconstructed quantum states. Furthermore, we confirm that path entanglement generated by using displaced squeezed states remains constant over a wide range of the displacement power. PMID:27447495

  14. Displacement of Propagating Squeezed Microwave States

    Science.gov (United States)

    Fedorov, Kirill G.; Zhong, L.; Pogorzalek, S.; Eder, P.; Fischer, M.; Goetz, J.; Xie, E.; Wulschner, F.; Inomata, K.; Yamamoto, T.; Nakamura, Y.; Di Candia, R.; Las Heras, U.; Sanz, M.; Solano, E.; Menzel, E. P.; Deppe, F.; Marx, A.; Gross, R.

    2016-07-01

    Displacement of propagating quantum states of light is a fundamental operation for quantum communication. It enables fundamental studies on macroscopic quantum coherence and plays an important role in quantum teleportation protocols with continuous variables. In our experiments, we have successfully implemented this operation for propagating squeezed microwave states. We demonstrate that, even for strong displacement amplitudes, there is no degradation of the squeezing level in the reconstructed quantum states. Furthermore, we confirm that path entanglement generated by using displaced squeezed states remains constant over a wide range of the displacement power.

  15. Tracking speckle displacement by double Kalman filtering

    Institute of Scientific and Technical Information of China (English)

    Donghui Li; Li Guo

    2006-01-01

    @@ A tracking technique using two sequentially-connected Kalman filter for tracking laser speckle displacement is presented. One Kalman filter tracks temporal speckle displacement, while another Kalman filter tracks spatial speckle displacement. The temporal Kalman filter provides a prior for the spatial Kalman filter, and the spatial Kalman filter provides measurements for the temporal Kalman filter. The contribution of a prior to estimations of the spatial Kalman filter is analyzed. An optical analysis system was set up to verify the double-Kalman-filter tracker's ability of tracking laser speckle's constant displacement.

  16. Effects of Fault Displacement on Emplacement Drifts

    International Nuclear Information System (INIS)

    The purpose of this analysis is to evaluate potential effects of fault displacement on emplacement drifts, including drip shields and waste packages emplaced in emplacement drifts. The output from this analysis not only provides data for the evaluation of long-term drift stability but also supports the Engineered Barrier System (EBS) process model report (PMR) and Disruptive Events Report currently under development. The primary scope of this analysis includes (1) examining fault displacement effects in terms of induced stresses and displacements in the rock mass surrounding an emplacement drift and (2 ) predicting fault displacement effects on the drip shield and waste package. The magnitude of the fault displacement analyzed in this analysis bounds the mean fault displacement corresponding to an annual frequency of exceedance of 10-5 adopted for the preclosure period of the repository and also supports the postclosure performance assessment. This analysis is performed following the development plan prepared for analyzing effects of fault displacement on emplacement drifts (CRWMS M and O 2000). The analysis will begin with the identification and preparation of requirements, criteria, and inputs. A literature survey on accommodating fault displacements encountered in underground structures such as buried oil and gas pipelines will be conducted. For a given fault displacement, the least favorable scenario in term of the spatial relation of a fault to an emplacement drift is chosen, and the analysis is then performed analytically. Based on the analysis results, conclusions are made regarding the effects and consequences of fault displacement on emplacement drifts. Specifically, the analysis will discuss loads which can be induced by fault displacement on emplacement drifts, drip shield and/or waste packages during the time period of postclosure

  17. Quantum transport through aromatic molecules

    International Nuclear Information System (INIS)

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices

  18. Substrate specific hydrolysis of aromatic and aromatic-aliphatic esters in orchid tissue cultures

    OpenAIRE

    Agnieszka Mironowicz; Krystyna Kukułczanka; Antoni Siewiński

    2014-01-01

    We found that tissue cultures of higher plants were able, similarly as microorganisms, to transform low-molecular-weight chemical compounds. In tissue cultures of orchids (Cymbidium 'Saint Pierre' and Dendrobium phalaenopsis) acetates of phenols and aromatic-aliphatic alcohols were hydrolyzed, whereas methyl esters of aromatic and aromatic-aliphatic acids did not undergo this reaction. Acetates of racemic aromatic-aliphatic alcohols were hydrolyzed with distinct enantiospecificity.

  19. Regional resilience to displacements: Explaining the regional capacity to re-employ displaced workers

    OpenAIRE

    Nyström, Kristina

    2015-01-01

    Job displacement, which is defined as an involuntary loss of job due to economic downturns or structural changes, hit millions of workers each year. According to OECD (2013) 2-7 percent of workers are displaced every year. For Sweden, OECD (2013) reports an average displacement rate of about 2 percent for the period 2000-2008. Our knowledge on the individual consequences of displacement, in terms of, for example, unemployment duration, and earning losses is comprehensive (See e.g. Hammermesh ...

  20. Etiopathogenesis of abomasal displacement in cattle

    Directory of Open Access Journals (Sweden)

    Šamanc Horea

    2003-01-01

    Full Text Available Abomasal displacement presents topographic gastropathy, where this organ has changed its position, and there is simultaneous dilatation which can vary in intensity. The incidence of this disorder in herds of high-yield dairy cows varies to a great degree (1 to 18 %. Abomasal displacement was established in herds of East-Frisian cows in 1 to 3% animals, and in Holstein cow herds in 5 to 18 % animals. The most frequent abomasal displacement is to the left (88%. There is significant seasonal variation in the incidence of abomasal displacement. About two-thirds of cases of abomasal displacement are diagnosed from October until April. The disorder appears more frequently in cows with repeated lactations. It has been established that it appears after the first calving in 27.8% cases, after the second to fifth calving in 66.7% cases, and after the sixth and seventh calving in 5.5% of the cows. The response of endocrine pancreas B-cells for insulin secretion to hyperglycaemia caused by applying an excess-glucose test is reduced in cows with left abomasal displacement, and there is constant hyperglycaemia in cows with right abomasal displacement. The excess-glucose test indicates a disrupted function of the endocrine pancreas in diseased animals. It has been determined through examinations of Aml genotypes in Holstein cow herds in connection with the appearance of abomasal displacement, that the occurrence of this disorder cannot be attributed to a genetic predisposition.

  1. 40 CFR 205.153 - Engine displacement.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Engine displacement. 205.153 Section 205.153 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) NOISE ABATEMENT PROGRAMS TRANSPORTATION EQUIPMENT NOISE EMISSION CONTROLS Motorcycles § 205.153 Engine displacement. (a)...

  2. Video Games, Adolescents, and the Displacement Effect

    Science.gov (United States)

    Fisher, Carla Christine

    2012-01-01

    The displacement effect (the idea that time spent in one activity displaces time spent in other activities) was examined within the lens of adolescents' video game use and their time spent reading, doing homework, in physically active sports and activities, in creative play, and with parents and friends. Data were drawn from the Panel Study…

  3. Capacitive Displacement Sensor With Frequency Readout

    Science.gov (United States)

    Fritsch, Klaus

    1989-01-01

    Simple displacement-measuring circuit senses capacitance between two parallel conducting plates and produces output signal, with frequency proportional to distance between plates. Principle of circuit provides advantages over other methods because of frequency-encoded output and high linearity. Used to measure displacements.

  4. Fractal dimensionality of cascades of atomic displacements

    International Nuclear Information System (INIS)

    The cascades of opening displacements, formed during irradiation of solids are the most typical process of dissipation of the energy of incident particles and the generation of radiation defects. The aim of the present work is the examination of the energy dependence of the fractal dimensionality of the cascades of atomic displacements in the solid

  5. Di(hydroxyphenyl)- benzimidazole monomers

    Science.gov (United States)

    Connell, John W. (Inventor); Hergenrother, Paul M. (Inventor); Smith, Joseph G. (Inventor)

    1993-01-01

    Di(hydroxyphenyl)benzimidazole monomers were prepared from phenyl-hydroxybenzoate and aromatic bis(o-diamine)s. These monomers were used in the synthesis of soluble polybenzimidazoles. The reaction involved the aromatic nucleophilic displacement of various di(hydroxyphenyl)benzimidazole monomers with activated aromatic dihalides or activated aromatic dinitro compounds in the presence of an alkali metal base. These polymers exhibited lower glass transition temperatures, improved solubility, and better compression moldability over their commercial counterparts.

  6. Rotor Displacement of the Ultrasonic Motor Having an Angular Displacement Self-Correction Function

    Science.gov (United States)

    Chen, Xiaoduo; Kusakabe, Chiharu; Tomikawa, Yoshiro; Takano, Takehiro

    1993-09-01

    This paper deals with the experimental investigation for confirmation of rotor displacement of the ultrasonic stepping motor having an angular displacement self-correction function. The experiment focused on the relationship between the rotor’s vibration displacement and its staying position for the self-correction. The result proved that the rotor always stays at the position where the displacement is smallest by cutting a slit into the rotor. Moreover, it has also been found that the stable self-correction of rotor angular displacement depends upon both the rotor driving frequency and rotor clamping force.

  7. A colorimetric detection of acrylamide in potato chips based on nucleophile-initiated thiol-ene Michael addition.

    Science.gov (United States)

    Hu, Qinqin; Fu, Yingchun; Xu, Xiahong; Qiao, Zhaohui; Wang, Ronghui; Zhang, Ying; Li, Yanbin

    2016-02-01

    Acrylamide (AA), a neurotoxin and a potential carcinogen, has been found in various thermally processed foods such as potato chips, biscuits, and coffee. Simple, cost-effective, and sensitive methods for the rapid detection of AA are needed to ensure food safety. Herein, a novel colorimetric method was proposed for the visual detection of AA based on a nucleophile-initiated thiol-ene Michael addition reaction. Gold nanoparticles (AuNPs) were aggregated by glutathione (GSH) because of a ligand-replacement, accompanied by a color change from red to purple. In the presence of AA, after the thiol-ene Michael addition reaction between GSH and AA with the catalysis of a nucleophile, the sulfhydryl group of GSH was consumed by AA, which hindered the subsequent ligand-replacement and the aggregation of AuNPs. Therefore, the concentration of AA could be determined by the visible color change caused by dispersion/aggregation of AuNPs. This new method showed high sensitivity with a linear range from 0.1 μmol L(-1) to 80 μmol L(-1) and a detection limit of 28.6 nmol L(-1), and especially revealed better selectivity than the fluorescence sensing method reported previously. Moreover, this new method was used to detect AA in potato chips with a satisfactory result in comparison with the standard methods based on chromatography, which indicated that the colorimetric method can be expanded for the rapid detection of AA in thermally processed foods. PMID:26699696

  8. Beyond organic chemistry: aromaticity in atomic clusters.

    Science.gov (United States)

    Boldyrev, Alexander I; Wang, Lai-Sheng

    2016-04-28

    We describe joint experimental and theoretical studies carried out collaboratively in the authors' labs for understanding the structures and chemical bonding of novel atomic clusters, which exhibit aromaticity. The concept of aromaticity was first discovered to be useful in understanding the square-planar unit of Al4 in a series of MAl4(-) bimetallic clusters that led to discoveries of aromaticity in many metal cluster systems, including transition metals and similar cluster motifs in solid compounds. The concept of aromaticity has been found to be particularly powerful in understanding the stability and bonding in planar boron clusters, many of which have been shown to be analogous to polycyclic aromatic hydrocarbons in their π bonding. Stimulated by the multiple aromaticity in planar boron clusters, a design principle has been proposed for stable metal-cerntered aromatic molecular wheels of the general formula, M@Bn(k-). A series of such borometallic aromatic wheel complexes have been produced in supersonic cluster beams and characterized experimentally and theoretically, including Ta@B10(-) and Nb@B10(-), which exhibit the highest coordination number in two dimensions. PMID:26864511

  9. Threshold Energies for Single Carbon Knockout from Polycyclic Aromatic Hydrocarbons

    CERN Document Server

    Stockett, M H; Chen, T; de Ruette, N; Giacomozzi, L; Wolf, M; Schmidt, H T; Zettergren, H; Cederquist, H

    2015-01-01

    We have measured absolute cross sections for ultrafast (fs) single-carbon knockout from Polycyclic Aromatic Hydrocarbon (PAH) cations as functions of He-PAH center-of-mass collision energy in the range 10-200 eV. Classical Molecular Dynamics (MD) simulations cover this range and extend up to 10$^5$ eV. The shapes of the knockout cross sections are well described by a simple analytical expression yielding experimental and MD threshold energies of $E_{th}^{Exp}=32.5\\pm 0.4$ eV and $E_{th}^{MD}=41.0\\pm 0.3$ eV, respectively. These are the first measurements of knockout threshold energies for molecules isolated \\emph{in vacuo}. We further deduce semi-empirical (SE) and MD displacement energies --- \\emph{i.e.} the energy transfers to the PAH molecules at the threshold energies for knockout --- of $T_{disp}^{SE}=23.3\\pm 0.3$ eV and $T_{disp}^{MD}=27.0\\pm 0.3$ eV. The semi-empirical results compare favorably with measured displacement energies for graphene $T_{disp}=23.6$ eV [Meyer \\emph{et al.} Phys. Rev Lett. \\tex...

  10. Acid dissociation constant and apparent nucleophilicity of lysine-501 of the alpha-polypeptide of sodium and potassium ion activated adenosinetriphosphatase

    International Nuclear Information System (INIS)

    A combination of competitive labeling with [3H]acetic anhydride and immunoaffinity chromatography is described that permits the assignment of the acid dissociation constant and the absolute nucleophilicity of individual lysines in a native enzyme. The acid dissociation constant of lysine-501 of the alpha-polypeptide in native (Na+ + K+)-ATPase was determined. This lysine had a normal pKa of 10.4. The rate constant for the reaction of the free base of lysine-501 with acetic anhydride at 10 degrees C is 400 M-1 s-1. This value is only 30% that for a fully accessible lysine in a protein. The lower than normal apparent nucleophilicity suggests that lysine-501 is hindered from reacting with its intrinsic nucleophilicity by the tertiary structure of the enzyme and is consistent with its location within a pocket that forms the active site upon the surface of the native protein

  11. Polycyclic aromatic hydrocarbons with SPICA

    CERN Document Server

    Berne, O; Mulas, G; Tielens, A G G M; Goicoechea, J R

    2009-01-01

    Thanks to high sensitivity and angular resolution and broad spectral coverage, SPICA will offer a unique opportunity to better characterize the nature of polycyclic aromatic hydrocarbons (PAHs) and very small grains (VSGs), to better use them as probes of astrophysical environments. The angular resolution will enable to probe the chemical frontiers in the evolution process from VSGs to neutral PAHs, to ionized PAHs and to "Grand-PAHs" in photodissotiation regions and HII regions, as a function of G$_0$/n (UV radiation field / density). High sensitivity will favor the detection of the far-IR skeletal emission bands of PAHs, which provide specific fingerprints and could lead to the identification of individual PAHs. This overall characterization will allow to use PAH and VSG populations as tracers of physical conditions in spatially resolved protoplanetary disks and nearby galaxies (using mid-IR instruments), and in high redshift galaxies (using the far-IR instrument), thanks to the broad spectral coverage SPIC...

  12. Epitaxial growth by monolayer restricted galvanic displacement

    Directory of Open Access Journals (Sweden)

    Vasilić Rastko

    2012-01-01

    Full Text Available The development of a new method for epitaxial growth of metals in solution by galvanic displacement of layers pre-deposited by underpotential deposition (UPD was discussed and experimentally illustrated throughout the lecture. Cyclic voltammetry (CV and scanning tunneling microscopy (STM are employed to carry out and monitor a “quasi-perfect”, two-dimensional growth of Ag on Au(111, Cu on Ag(111, and Cu on Au(111 by repetitive galvanic displacement of underpotentially deposited monolayers. A comparative study emphasizes the displacement stoichiometry as an efficient tool for thickness control during the deposition process and as a key parameter that affects the deposit morphology. The excellent quality of layers deposited by monolayer-restricted galvanic displacement is manifested by a steady UPD voltammetry and ascertained by a flat and uniform surface morphology maintained during the entire growth process.

  13. Making work safe for displaced women

    Directory of Open Access Journals (Sweden)

    Dale Buscher

    2012-12-01

    Full Text Available Displaced women need opportunities to make a living for themselves and their families but these opportunities should not increase their vulnerability. Understanding risk factors and protection strategies allows practitioners to ensure appropriate programme design and implementation.

  14. A flexible sensor measuring displacement and bending

    Science.gov (United States)

    Nishijima, Takashi; Yamamoto, Akio; Higuchi, Toshiro

    2009-04-01

    This paper proposes a new sensor that is capable of measuring both linear displacement and bending. The sensor is designed to be used with an electrostatic film motor that features mechanical flexibility, but can also be used as an independent sensor. The sensor employs three-phase electrodes both in sliding and stationary parts and estimates displacement and bending from the change of the capacitance between the electrodes. The paper describes an equivalent capacitance-network model for the sensor. Based on the model, sensing principles for both displacement and bending are presented and analyzed. The analyses are experimentally verified using a prototype sensor. The experimental results show that the prototype sensor could measure both displacement and bending with little interference between them.

  15. Precision optical displacement measurements using biphotons

    OpenAIRE

    Lyons, Kevin; Pang, Shengshi; Kwiat, Paul G.; Jordan, Andrew N

    2016-01-01

    We propose and examine the use of biphoton pairs, such as those created in parametric down conversion or four-wave mixing, to enhance the precision and the resolution of measuring optical displacements by position-sensitive detection. We show that the precision of measuring a small optical beam displacement with this method can be significantly enhanced by the correlation between the two photons, given the same optical mode. The improvement is largest if the correlations between the photons a...

  16. Translation of an aromatic field image

    Science.gov (United States)

    Yastrebov, Anatoliy S.; Makarov, Leonid M.; Protasenya, Sergey V.; Vereshak, Evgeniy V.

    2005-04-01

    As is known, for a person there are possibilities of perception of audio, video, and aromatic information messages by means of touch systems available to him. Such packages of the messages are accepted remotely without direct contact to a message source. Now the direction bound with creation of devices capable to playback aromatic information images is actively developed. Such systems switched on in special transmission channels of information provide adequate perception of information highways describing actual event which happen in the enclosing world. One can present the aromatic-field image through a series of control codes for an aromatic field synthesizer, thereupon it is possible to transmit the image on telecommunication networks. For odor oscillators installation problems in compartments of automobiles, buses as well as of airplanes are widely discussed. In this work we deal with a device for synthesis of an image of an aromatic field which works under the control of a personal computer with an express program. In the given operation, the possibility of remote handle of an image of an aromatic field and, as a corollary, organization of a new tansmission channel for the information on the aromatic-field image through an existing synthesizer is considered.

  17. Displaced and non-displaced Colombian children's evaluations of moral transgressions, retaliation, and reconciliation

    OpenAIRE

    Ardila-Rey, Alicia; Killen, Melanie; Brenick, Alaina

    2009-01-01

    In order to assess the effects of displacement and exposure to violence on children's moral reasoning, Colombian children exposed to minimal violence (non-displaced or low-risk) (N = 99) and to extreme violence (displaced or high-risk) (N = 94), evenly divided by gender, at 6-, 9-, and 12 - years of age, were interviewed regarding their evaluation of peer-oriented moral transgressions (hitting and not sharing toys). The vast majority of children evaluated moral transgressions as wrong. Group ...

  18. Conservation of medicinal and aromatic plants

    Directory of Open Access Journals (Sweden)

    Šveistytė, Laima

    2016-07-01

    Full Text Available The conservation of medicinal and aromatic plants includes ex situ and in situ methods. The genetic recourses of medicinal and aromatic plants are stored, studied and constantly maintained in the field collections of the Institute of Botany of Nature Research Centre, Kaunas Botanical Garden of Vytautas Magnus University and Aleksandras Stulginskis University of Agriculture. Presently seeds of 214 accessions representing 38 species of medicinal and aromatic plants are stored in a long-term storage in the Plant Gene Bank. The data about national genetic resources are collected and stored in the Central Database of the Plant Gene Bank.

  19. Aromaticity influencing the thermostability of micellar dispersions

    Energy Technology Data Exchange (ETDEWEB)

    Davis, J.A.; Kunzman, W.J.

    1970-02-17

    The thermostability of a micellar dispersion is shifted to higher temperature ranges by increasing the aromaticity of the hydrocarbon within the dispersion. The micellar solution is composed of kerosene and light catalytic cycle oil (hydrocarbons), water, sodium or ammonium alkyl aryl naphthenic sulfonates (petroleum sulfonate surfactant), isopropanol (cosurfactant), and sodium sulfate (electrolyte). The aromatic content of the light catalytic cycle oil is higher than the aromatic content of the kerosene. By increasing the concentration of cycle oil to kerosene, stable micellar solutions at temperatures from ambient to 200/sup 0/F can be obtained. The aqueous medium can be soft, brackish, or a brine.

  20. Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

    Science.gov (United States)

    Yang, Yang

    2010-12-23

    Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one. PMID:21105726

  1. Cationic palladium(ii)-catalyzed dehydrative nucleophilic substitutions of benzhydryl alcohols with electron-deficient benzenethiols in water.

    Science.gov (United States)

    Hikawa, Hidemasa; Machino, Yumo; Toyomoto, Mariko; Kikkawa, Shoko; Azumaya, Isao

    2016-08-01

    An efficient direct nucleophilic substitution of benzhydryl alcohols with electron-deficient benzenethiols using cationic Pd(ii) catalysts as Lewis acids in water is reported. Atom economical and environmentally benign protocols afford S-benzylated products in moderate to excellent yields. Commercially available Pd(MeCN)4(OTf)2, PdCl2(MeCN)2, and Na2PdCl4 are highly efficient catalysts. Notably, this simple protocol can be achieved without any other additives such as acids, bases, or external ligands. A Hammett study on the rate constants of S-benzylation by using various substituted benzhydryl alcohols yielded negative ρ values, suggesting that there is a build-up of positive charge in the transition state. PMID:27363665

  2. 1 alpha,25-dihydroxyvitamin D3 analogs featuring aromatic and heteroaromatic rings: design, synthesis, and preliminary biological testing.

    Science.gov (United States)

    Posner, G H; Li, Z; White, M C; Vinader, V; Takeuchi, K; Guggino, S E; Dolan, P; Kensler, T W

    1995-10-27

    Aromatic compounds 2a-c, analogs of 1 alpha, 25-dihydroxyvitamin (calcitriol, 1), and heteroaromatic compounds 4a-c and 5a-c, analogs of 19-nor-1 alpha, 25-dihydroxyvitamin D3 (3), were designed to simulate the topology of their biologically potent parent compounds while avoiding previtamin D equilibrium. Convergent and facile total syntheses of the analogs (+)-2b, (+)-2c, (-)-4b, and (-)-5b were achieved via carbonyl addition of regiospecifically formed organolithium nucleophiles to the enantiomerically pure C,D-ring ketone (+)-17, characteristic of natural calcitriol (1). Likewise, hybrid analogs 20a-c were prepared to determine whether incorporation of a known potentiating side chain would lead to increased biological activity. Preliminary in vitro biological testing showed that aromatic analogs (+)-2b, (+)-2c, and 20a-c as well as heteroaromatic analogs (-)-4b and (-)-5b have very low affinities for the calf thymus vitamin D receptor but considerable antiproliferative activities in murine keratinocytes at micromolar concentration. No biological advantage was observed in this keratinocyte assay for the doubly modified hybrid analogs 20a-c over the singly modified parent (+)-2b. Analog (+)-2b, but surprisingly not the corresponding analog 20b differing from (+)-2b only in the side chain, showed considerable activity in nongenomic opening of calcium channels in rat osteosarcoma cells. PMID:7473581

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

    Science.gov (United States)

    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

  4. Pulse shape discrimination in non-aromatic plastics

    International Nuclear Information System (INIS)

    Recently it has been demonstrated that plastic scintillators have the ability to distinguish neutrons from gamma rays by way of pulse shape discrimination (PSD). This discovery has lead to new materials and new capabilities. Here we report our work with the effects of aromatic, non-aromatic, and mixed aromatic/non-aromatic matrices have on the performance of PSD plastic scintillators

  5. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  6. Graphite Oxide and Aromatic Amines : Size Matters

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Calvaresi, Matteo; Diamanti, Evmorfi A. K.; Tsoufis, Theodoros; Gournis, Dimitrios; Rudolf, Petra; Zerbetto, Francesco

    2015-01-01

    Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molec

  7. International congress on aromatic and medicinal plants

    International Nuclear Information System (INIS)

    Full Text : In Morocco, medicinal and aromatic plants occupy an important place in the traditional care system of a large number of local people. They are also economically strong potential, but unfortunately they are not valued enough. Indeed, Morocco by its privileged geographical position in the Mediterranean basin and its floristic diversity (with a total of over 4,200 species and subspecies of which over 500 are recognized as medicinal and aromatic plants), is a leading provider of traditional global market. In this context and given the back label of the natural global, group research and studies on Aromatic and Medicinal Plants (GREPAM), the Faculty of Semlalia and University Cadi Ayyad, organize: the International Congress on Medicinal and Aromatic Plants CIPAM 2009. The organization of this conference is part of scientific research developed by the GREPAM.

  8. Activity relationships for aromatic crown ethers

    CERN Document Server

    Wilson, M J

    1998-01-01

    This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities...

  9. Comments on Coulomb pairing in aromatic hydrocarbons

    CERN Document Server

    Huber, D L

    2013-01-01

    Recently reported anomalies in the double-photonionization spectra of aromatic molecules such as benzene, naphthalene, anthracene and coronene are attributed to Coulomb-pair resonances of pi electrons.

  10. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Hitesh Sharma; S Prakash

    2007-04-01

    We present here a systematic investigation of the atomic displacements in bcc transition metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method. Wills and Harrison interatomic potential is used to calculate the atomic force constants, the dynamical matrix and the impurity-induced forces. We have thoroughly investigated the atomic displacements using impurities from 3d, 4d and 5d series in the same host metal and the same impurity in different hosts. We have observed a systematic pattern in the atomic displacements for Cr-, Fe-, Nb-, Mo-, Ta- and W-based dilute alloys. The atomic displacements are found to increase with increase in the number of d electrons for all alloys considered except for V dilute alloys. The 3d impurities are found to be more easily dissolved in the 3d host metals than 4d or 5d TMs whereas 4d and 5d impurities show more solubility in 4d and 5d TMs. In general, the relaxation energy calculation suggests that impurities may be easily solvable in 5d TM hosts when compared to 3d or 4d TMs.

  11. Quantification of the vocal folds’ dynamic displacements

    Science.gov (United States)

    del Socorro Hernández-Montes, María; Muñoz, Silvino; De La Torre, Manuel; Flores, Mauricio; Pérez, Carlos; Mendoza-Santoyo, Fernando

    2016-05-01

    Fast dynamic data acquisition techniques are required to investigate the motional behavior of the vocal folds (VFs) when they are subjected to a steady air-flow through the trachea. High-speed digital holographic interferometry (DHI) is a non-invasive full-field-of-view technique that has proved its usefulness to study rapid and non-repetitive object movements. Hence it is an ideal technique used here to measure VF displacements and vibration patterns at 2000 fps. Analyses from a set of 200 displacement images showed that VFs’ vibration cycles are established along their width (y) and length (x). Furthermore, the maximum deformation for the right and left VFs’ area may be quantified from these images, which in itself represents an important result in the characterization of this structure. At a controlled air pressure, VF displacements fall within the range ~100-1740 nm, with a calculated precision and accuracy that yields a variation coefficient of 1.91%. High-speed acquisition of full-field images of VFs and their displacement quantification are on their own significant data in the study of their functional and physiological behavior since voice quality and production depend on how they vibrate, i.e. their displacement amplitude and frequency. Additionally, the use of high speed DHI avoids prolonged examinations and represents a significant scientific and technological alternative contribution in advancing the knowledge and working mechanisms of these tissues.

  12. PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

    International Nuclear Information System (INIS)

    We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH+s) might make to the Class A component of the 6.2 μm interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH+s have a band near 6.2 μm, as found in experiment. While the larger HPAH+s still have emission near 6.2 μm, the much larger intensity of the band near 6.3 μm overwhelms the weaker band at 6.2 μm, so that the 6.2 μm band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH+s cannot be major contributors to the observed emission at 6.2 μm (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 μm Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

  13. Dehydrogenative Aromatization of Saturated Aromatic Compounds by Graphite Oxide and Molecular Sieves

    Institute of Scientific and Technical Information of China (English)

    张轩; 徐亮; 王希涛; 马宁; 孙菲菲

    2012-01-01

    Graphite oxide (GO) has attracted much attention of material and catalysis chemists recently. Here we describe a combination of GO and molecular sieves for the dehydrogenative aromatization. GO prepared through improved Hummers method showed high oxidative activity in this reaction. Partially or fully saturated aromatic compounds were converted to their corresponding dehydrogenated aromatic products with fair to excellent conversions and selectivities. As both GO and molecular sieves are easily available, cheap, lowly toxic and have good tolerance to various functional groups, this reaction provides a facile approach toward aromatic compounds from their saturated precursors

  14. Aromatic amines sources, environmental impact and remediation

    OpenAIRE

    Pereira, Luciana; Mondal, P. K.; Alves, M. M.

    2015-01-01

    Aromatic amines are widely used industrial chemicals as their major sources in the environment include several chemical industry sectors such as oil refining, synthetic polymers, dyes, adhesives, rubbers, perfume, pharmaceuticals, pesticides and explosives. They result also from diesel exhaust, combustion of wood chips and rubber and tobacco smoke. Some types of aromatic amines are generated during cooking, special grilled meat and fish, as well. The intensive use and production of these comp...

  15. Aromaticity influencing the thermostability of micellar dispersions

    Energy Technology Data Exchange (ETDEWEB)

    Davis, J.A.; Kunzman, W.J.

    1971-05-11

    A hydrocarbon, having sufficient aromaticity to obtain a stable micellar dispersion at the temperature of the formation, is mixed with a surfactant and aqueous medium for injection into the formation to recover crude oil. Higher reservoir temperatures require a greater degree of aromaticity in the hydrocarbon component of the micellar dispersion. This patent is a continuation of U.S. Patent Number 3,495,660 (item No. 118).

  16. Nonchemical weeding of medicinal and aromatic plants

    OpenAIRE

    Carrubba, Alessandra; Militello, Marcello

    2013-01-01

    Medicinal and aromatic plants are major crops of domestic and industrial interest. Medicinal and aromatic plants are increasingly organically grown to enhance profitability. However, the presence of weeds may lead to a decrease in both yield and quality. Therefore, nonchemical methods of weed control are needed. In this study, mechanical weeding, flaming, stale seedbed, and biodegradable mulch were tested from 2003/2004 to 2006/2007 on coriander, fennel, and psyllium. Biomass and seed yield w...

  17. Chemotaxis of Azospirillum Species to Aromatic Compounds

    OpenAIRE

    Lopez-de-Victoria, Geralyne; Lovell, Charles R.

    1993-01-01

    Chemotaxis of Azospirillum lipoferum Sp 59b and Azospirillum brasilense Sp 7 and Sp CD to malate and to the aromatic substrates benzoate, protocatechuate, 4-hydroxybenzoate, and catechol was assayed by the capillary method and direct cell counts. A. lipoferum required induction by growth on 4-hydroxybenzoate for positive chemotaxis to this compound. Chemotaxis of Azospirillum spp. to all other substrates did not require induction. Maximum chemotactic responses for most aromatic compounds occu...

  18. Pulse radiolysis study of salt effects on reactions of aromatic radical cations with Cl-

    International Nuclear Information System (INIS)

    The effect of quaternary ammonium salts on the decays of the radical cations of biphenyl, trans-stilbene, anthracene and pyrene generated by pulse radiolysis in chlorohydrocarbons has been investigated. The decays, which are due to neutralization reactions with Cl-, are retarded by the addition of salts having non-nucleophilic PF6-, BF4- and ClO4-, whereas the radical cations are rapidly quenched by salts having I- and BPh4-. The retarding effect of the salts is attributed to the formation of ion pairs between the reacting ions and the counter-ions from the salts. The rate constants for the neutralization reactions in 1,2-dichloroethane have been determined for the free-ion and ion-paired states; the latter state is attained by the addition of Bu4NPF6. The rate constant determined in the absence of the salt for Pysup(radical)+ is one order of magnitude smaller than those for the others. The salt effect is also smallest on the reaction of Pysup(radical)+. The charge delocalisation of the large aromatic radical cation may be responsible for the exceptional results for Pysup(radical)+. The largest salt effect was observed on the reaction of Ph2CH+, a charge-localized carbenium ion investigated for comparison. The solvent effect on the neutralization reactions is also discussed. (author)

  19. Forced displacement and women's security in Colombia.

    Science.gov (United States)

    Meertens, Donny

    2010-04-01

    In the protracted Colombian conflict, assistance to internally displaced persons has developed in the context of contradictory political processes. The Colombian government's launching of a transitional justice process in the midst of armed conflict has generated a complex situation displaying both conflict and post-conflict characteristics. The progressive Constitutional Court rulings on internal displacement, in particular the gender-sensitive Auto 092, constitute an attempt to bring together humanitarian interventions and transitional justice measures in a rights-based framework. However, the national government is reluctant to adopt them fully and local realities still hamper their integrated implementation. Displaced women, therefore, remain in an especially vulnerable position. This paper argues that gender-sensitive humanitarian interventions must take into account all of these complexities of scale and political process in order to make legal frameworks more effective at the local level. In these contexts, interventions should pay particular attention to strategies that contribute to transforming pre-existing gender regimes. PMID:20132270

  20. Imaging of small radioactive point source displacement

    International Nuclear Information System (INIS)

    A new technique for three dimensional recording of a patient mandibular movement is described. A small and harmless radioactive source is fixed at the point of interest. Using proper collimation, the motion of the point source is recorded via a gamma camera and minicomputer. Image enhancement techniques are used and physiological displacement is reproduced. We measured the vertical, lateral and protrusive envelopes of motion of a point on a tooth from a full denture set mounted on a semiadjustable articulator. All displacements were calibrated. Multiple sources in a single experiment may be recorded to describe the displacement of several points of interest. First experiments were run on patients. This method, derived from Nuclear Medicine techniques, offers a powerful tool of general interest for the tracking of dynamic events in many fields of Dental Medicine, for instance temporo-mandibular joint disfunction as well as Prosthetics. (author)

  1. Performance of displacement ventilation in practice

    DEFF Research Database (Denmark)

    Naidenov, K.; Pitchurov, G.; Langkilde, Gunnar;

    2002-01-01

    the major local discomfort in the rooms with displacement ventilation. Twenty-three percent of the occupants were daily bothered by draught. In some buildings the maintenance personnel tried to improve occupants´ thermal comfort by raising the supply air temperature or office workers themselves......This paper presents results of a field study in offices with displacement ventilation. It comprises detailed physical measurements of the thermal environment and collection of occupants´ response at 227 workplaces. The results, both physical measurements and human response, identified draught as...... blocked the diffusers by rearranging the furniture. Half of the surveyed occupants were not satisfied with the indoor air quality. The main conclusion is that displacement ventilation needs careful design and room furnishing in order to ensure a comfortable environment. Occupants must understand the...

  2. Polynuclear aromatic hydrocarbons for fullerene synthesis in flames

    Science.gov (United States)

    Alford, J. Michael; Diener, Michael D.

    2006-12-19

    This invention provides improved methods for combustion synthesis of carbon nanomaterials, including fullerenes, employing multiple-ring aromatic hydrocarbon fuels selected for high carbon conversion to extractable fullerenes. The multiple-ring aromatic hydrocarbon fuels include those that contain polynuclear aromatic hydrocarbons. More specifically, multiple-ring aromatic hydrocarbon fuels contain a substantial amount of indene, methylnapthalenes or mixtures thereof. Coal tar and petroleum distillate fractions provide low cost hydrocarbon fuels containing polynuclear aromatic hydrocarbons, including without limitation, indene, methylnapthalenes or mixtures thereof.

  3. DNA fork displacement rates in human cells

    International Nuclear Information System (INIS)

    DNA fork displacement rates were measured in 20 human cell lines by a bromodeoxyuridine-313 nm photolysis technique. Cell lines included representatives of normal diploid, Fanconi's anemia, ataxia telangiectasia, xeroderma pigmentosum, trisomy-21 and several transformed lines. The average value for all the cell lines was 0.53 +- 0.08 μm/min. The average value for individual cell lines, however, displayed a 30% variation. Less than 10% of variation in the fork displacement rate appears to be due to the experimental technique; the remainder is probably due to true variation among the cell types and to culture conditions. (Auth.)

  4. Bucket Foundation Response Under Various Displacement Rates

    DEFF Research Database (Denmark)

    Vaitkunaite, Evelina; Nielsen, Benjaminn Nordahl; Ibsen, Lars Bo

    2016-01-01

    The present testing program aims at showing the pore pressure response around a bucket foundation skirt as well as the load and displacement change due to ten different displacement rates. Research findings are useful for a numerical model calibration focusing on the design of the upwind foundation...... in a multi-bucket foundation system. The foundation model is at a scale of approximately 1:20 prototype foundation size. The tests are performed in a pressure tank with the foundation model installed in dense sand. Based on the data, the conclusion is that the bucket foundation design in a storm case...

  5. Field measurement of relative ground displacement

    International Nuclear Information System (INIS)

    Protection of existing structures is a major requirement during underground nuclear blasts detonated as part of the Plowshare Program. Instrumental arrays to record ground motion are routinely established prior to blasts. These provide data on particle motions during the event but do not provide direct information concerning ground strains and relative displacements which may effect bridges, buildings, irrigation channels and other structures with large plan dimension. An experimental technique which was hastily developed and deployed to measure relative displacements during the Rio Blanco event of May 17, 1973 is described. The work was performed in anticipation of the Project Wagon Wheel in an area of Wyoming with many concrete lined irrigation channels

  6. An overview of the AROMAT campaigns

    Science.gov (United States)

    Merlaud, Alexis; Dekemper, Emmanuel; Van Roozendael, Michel; Constantin, Daniel; Georgescu, Lucian; Meier, Andreas; Richter, Andreas; Den Hoed, Mirjam; Allaart, Marc; Boscornea, Andreea; Vajaiac, Sorin; Bellegante, Livio; Nemuc, Anca; Nicolae, Doina; Shaifangar, Reza; Dörner, Steffen; Wagner, Thomas; Stebel, Kerstin; Schuettemeyer, Dirk

    2016-04-01

    The Airborne ROmanian Measurements of Aerosols and Trace gases (AROMAT) campaign and its follow-up AROMAT-2 were held in September 2014 and August 2015, respectively. Both campaigns focused on two geophysical targets: the city of Bucharest and the large power plants of the Jiu Valley, which are located in a rural area 170 km West of Bucharest. These two areas are complementary in terms of emitted chemical species and their spatial distributions. The objectives of the AROMAT campaigns were (i) to test recently developed airborne observation systems dedicated to air quality satellite validation studies such as the AirMAP imaging DOAS system (University of Bremen), the NO2 sonde (KNMI), and the compact SWING whiskbroom imager (BIRA), and (ii) to prepare the validation programme of the future Atmospheric Sentinels, starting with Sentinel-5 Precursor (S5P) to be launched in early summer 2016. We present results from the different airborne instrumentations and from coincident ground-based measurements (lidar, in-situ, and mobile DOAS systems) performed during both campaigns. The AROMAT dataset addresses several of the mandatory products of TROPOMI/S5P, in particular NO2 and SO2 (horizontal distribution and profile from aircraft, plume image with ground-based SO2 and NO2 cameras, transects with mobile DOAS, in-situ), H2CO (mobile MAX-DOAS), and aerosols (lidar, airborne FUBISS-ASA2 sun-photometer, and aircraft in-situ). We investigate the information content of the AROMAT dataset for satellite validation studies based on co-located OMI and GOME-2 data, and simulations of TROPOMI measurements. The experience gained during AROMAT and AROMAT-2 will be used in support of a large-scale TROPOMI/S5P validation campaign in Romania scheduled for summer 2017.

  7. A Simple Condition for Bounded Displacement

    CERN Document Server

    Solomon, Yaar

    2011-01-01

    We study separated nets that correspond to substitution tilings of the Euclidean space. We give a simple condition, in terms of the eigenvalues and eigenspaces of the substitution matrix, to know whether the separated net is a bounded displacement of the integer lattice or not.

  8. Nonlinear Brownian motion - mean square displacement

    Directory of Open Access Journals (Sweden)

    W.Ebeling

    2004-01-01

    Full Text Available The stochastic dynamics of self-propelled Brownian particles is studied by means of the Langevin and the Fokker-Planck approach. We model the driving by a nonlinear friction function which has a negative part at small velocities, leading to active Brownian motion of the particles. The mean square displacement is estimated analytically and compared with numerical simulations.

  9. Education: protecting the rights of displaced children

    Directory of Open Access Journals (Sweden)

    Suba Mahalingam

    2002-10-01

    Full Text Available UNICEF and its partners work with displaced communitiesto provide material assistance and protection, using as their basis the UN Convention on the Rights of the Child1 and other internationallegal instruments. Education has proven a valuable tool in this effort, not only making children aware of their rights but also providing a way to participate in the realisation of these rights.

  10. Wien's Displacement Law in Rindler Space

    CERN Document Server

    De, Sanchari; Ghosh, Sutapa; Chakrabarty, Somenath

    2015-01-01

    In this article we have developed a formalism to obtained the modified form of Wien's displacement law when the wall of the enclosure containing a photon gas is expanding adiabatically with a uniform acceleration. We have also studied the gravitational redshift of photons inside the enclosure using the prescription of extended relativistic dynamics with an upper limit of acceleration.

  11. Displacement Damage in Bipolar Linear Integrated Circuits

    Science.gov (United States)

    Rax, B. G.; Johnston, A. H.; Miyahira, T.

    2000-01-01

    Although many different processes can be used to manufacture linear integrated circuits, the process that is used for most circuits is optimized for high voltage -- a total power supply voltage of about 40 V -- and low cost. This process, which has changed little during the last twenty years, uses lateral and substrate p-n-p transistors. These p-n-p transistors have very wide base regions, increasing their sensitivity to displacement damage from electrons and protons. Although displacement damage effects can be easily treated for individual transistors, the net effect on linear circuits can be far more complex because circuit operation often depends on the interaction of several internal transistors. Note also that some circuits are made with more advanced processes with much narrower base widths. Devices fabricated with these newer processes are not expected to be significantly affected by displacement damage for proton fluences below 1 x 10(exp 12) p/sq cm. This paper discusses displacement damage in linear integrated circuits with more complex failure modes than those exhibited by simpler devices, such as the LM111 comparator, where the dominant response mode is gain degradation of the input transistor. Some circuits fail catastrophically at much lower equivalent total dose levels compared to tests with gamma rays. The device works satisfactorily up to nearly 1 Mrad(Si) when it is irradiated with gamma rays, but fails catastrophically between 50 and 70 krad(Si) when it is irradiated with protons.

  12. Passive Smoking in a Displacement Ventilated Room

    DEFF Research Database (Denmark)

    Bjørn, Erik; Nielsen, Peter V.

    The aim of this research is to see if the displacement ventilation principle can protect a person from exposure to passive tobacco smoking. This is done by full-scale experiments with two breathing thermal manikins, smoke visualisations, and tracer gas measurements. In some situations, exhaled sm...... convective boundary layer flow around the body....

  13. Mild and effective aliphatic and aromatic n.c.a. /sup 18/F-fluorination using crown ether

    International Nuclear Information System (INIS)

    For nucleophilic substitution with [/sup 18/F]-fluoride in crown ether-catalyzed reactions, the aminopolyether 2.2.2. (Kryptofix, Merck)-K/sub 2/CO/sub 3/ complex in acetonitrile was found to be optimal. The method was further optimized and applied to n.c.a. /sup 18/F-labeling. /sup 18/F-fluoroacetate and /sup 18/F-heptadecanoic acid were prepared with 92 +- 3% radiochemical yield and a specific activity of > 15000 Ci/nmole. Compared to other methods, the reaction in the presence of the crown ether is less sensitive and allows simpler routine production. The mild conditions of the new reaction system also allows the production of the fluoromethylation agent /sup 18/FCH/sub 2/Br. Starting from CH/sub 2/Br/sub 2/ the use of CH/sub 2//sup 18/F instead of /sup 11/CH/sub 3/ makes available longer lived /sup 18/F-analogue tracers. The feasibility was demonstrated by n.c.a. fluoromethylation of phenolate and piperidine with radiochemical yields of 15 to 20%. The highest potency of the crown ether-supported reaction lies in the significantly increased efficiency of nucleophilic aromatic fluorination. Thus replacement of a nitro group in dinitrobenzene was accomplished within two minutes in acetonitrile-crown ether-K/sub 2/CO/sub 3/ even at 800C with 80 +- 3%. In comparison in DMSO without crown ether and in acetamide melt yields of 80 +- 2% and 40 +- 4%, respectively, were only obtained at 1500C. In DMSO-crown ether the labeling of p-nitro-benzonitril is almost independent of the reaction temperature from 600C to 1800C. Thus temperature-sensitive molecules such as butyrophenones can be efficiently fluorinated under mild conditions

  14. Forced Displacement : Moving from Managing Risk to Facilitating Opportunity

    OpenAIRE

    Lakhani, Sadaf

    2013-01-01

    Displacement is most commonly perceived as a situation of crisis; a time in which risks to the displaced and to host communities need to be mitigated and managed. However, if managed well, displacement can also bring new opportunities for the displaced and host communities to improve their lives. This paper looks at the predominant reasons why displacement is viewed and assisted by the aid community as a humanitarian issue, rather than as a phenomenon for which development thinking and develo...

  15. Utilization of an ultrasound beam steering angle for measurements of tissue displacement vector and lateral displacement

    Directory of Open Access Journals (Sweden)

    Chikayoshi Sumi

    2010-09-01

    Full Text Available Chikayoshi SumiDepartment of Information and Communication Sciences, Faculty of Science and Technology, Sophia University, Tokyo, JapanAbstract: A number of ultrasonic displacement/velocity measurement methods have been extensively developed for measurements of blood flow, tissue motion, and strain. Lateral modulation (LM methods have also been reported using steered, crossed beams, and these methods permit measurements of displacement vectors. In this report, a new beam steering method for the transmission and reception of ultrasound is proposed, which can enable measurements of lateral displacements and of arbitrary displacement vectors with a very high degree of accuracy. Because this beam steering method uses only a steering angle, this method is referred to as ASTA. With ASTA, the number of available methods to obtain a displacement vector measurement is limited to previously developed block-matching methods, such as the multidimensional cross-spectrum phase gradient method, and the multidimensional autocorrelation method (MAM and the multidimensional Doppler method (MDM using a block-matching method (the methods using block matching are referred to as MAMb and MDMb, respectively. Being dependent on the measurement method, only a lateral displacement measurement can be made even if the methods are multidimensional, ie, previously developed MAM and MDM using a moving average and a mirror setting of the obtained steered beams, and one-dimensional (1D, such as an autocorrelation method. Considerations of beamforming schemes using LM and ASTA show that the simple ASTA beamforming method increases capabilities for real-time measurements and requires a small physical aperture when compared with LM. For lateral displacement measurements (eg, blood flow in a carotid artery, a lateral coordinate must correspond to the direction of the target’s lateral motion, and the steering angle used is as large as possible to increase the measurement accuracy

  16. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    insulation cables.3–5 As an alternative to utilise additives as voltage stabilizers, grafting aromatic compounds to silicone backbones may overcome the common problem of insolubility of the aromatic voltage stabilizer in the silicone elastomers due to phase separation. Preventing phase separation during...... via hydrosilylation by a vinyl-functional crosslinker. The mechanism of electron-trapping by aromatic compounds grafted to silicone backbones in a crosslinked PDMS is illustrated in Fig. 1. The electrical breakdown strength, the storage modulus and the loss modulus of the elastomer were investigated...... attached to the silicone backbone. The dielectric relative permittivity of PDMS-PPMS copolymers remained between 2 to 3 with low conductivity and low dielectric loss as well as high storage moduli with low viscous loss, thereby maintaining the electro-mechanical integrity of the elastomer....

  17. Chemotaxis of Azospirillum species to aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-de-Victoria, G.; Lovell, C.R. (Univ. of South Carolina, Columbia, SC (United States))

    1993-09-01

    Azospirillum sspeciesare free-living nitrogen fixing bacteria commonly found in soils and in association with plant roots, including important agricultural crops. Rhizosphere colonization my Azospirillum species has been shown to stimulate growth of a variety of plant species. Chemotaxis is one of the properties which may contribute to survival, rhizosphere colonization and the initiation of mutualistic interactions by Azospirillum species. This study evaluates the chemotactic responses of three Azospirillum stains to a variety of aromatic compounds:benzoate, catechol, 4-HB, and PCA. Results indicate that the same aromatic substance can elicit different chemotactic responses from different Azospirillum species, and that Azospirillum can detect aromatic substrates at concentrations similar to those they encounter naturally. 36 refs., 1 fig., 6 tabs.

  18. RNA SHAPE chemistry with aromatic acylating reagents.

    Science.gov (United States)

    Nodin, Laura; Noël, Olivier; Chaminade, Françoise; Maskri, Ouerdia; Barbier, Vincent; David, Olivier; Fossé, Philippe; Xie, Juan

    2015-02-01

    As chemical methods for RNA secondary structure determination, SHAPE chemistry (selective 2'-hydroxyl acylation analyzed by primer extension) has been developed to specifically target flexible nucleotides (often unpaired nucleotides) independently to their purine or pyrimidine nature. In order to improve the specificity of acylating reagents towards unpaired nucleotides, we have explored the reactivity of symmetric anhydrides, acyl fluorides, active esters like succinimidyl ester and cyanomethyl esters for 2'-O-acylation reaction. Among the tested compounds, only the acyl fluoride 4 showed a low reactivity (compared to NMIA). However, this study is the first to show that nucleophilic catalysts like DMAP greatly improved the selective 2'-hydroxyl acylation by symmetric anhydrides, acyl fluorides and succinimidyl ester, with the 2-fluorobenzoic anhydride 5 being the most reactive. PMID:25557357

  19. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2016-08-02

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  20. Global aromatics supply. Today and tomorrow

    Energy Technology Data Exchange (ETDEWEB)

    Bender, M. [BASF SE, Ludwigshafen (Germany)

    2013-11-01

    Aromatics are the essential building blocks for some of the largest petrochemical products in today's use. To the vast majority they are consumed to produce intermediates for polymer products and, hence, contribute to our modern lifestyle. Their growth rates are expected to be in line with GDP growth in future. This contrasts the significantly lower growth rates of the primary sources for aromatics - fuel processing and steam cracking of naphtha fractions. A supply gap can be expected to open up in future for which creative solutions will be required. (orig.)

  1. Electron beam irradiation effects on aromatic polymers

    International Nuclear Information System (INIS)

    Electron irradiation effects on aromatic polymers having various molecular structures were studied to elucidate the following subjects; (1) relation between radiation stability and molecular structure of repeating units, (2) mechanism of deterioration and (3) adaptability to matrix resin for radiation resistant FRP. Results are summarized as follows: (1) An order of radiation stability of units is; imide ring > diphenyl ether, diphenyl ketone > aromatic amide >> bis-phenol A > diphenyl sulphone. (2) Poly (ether-ether-ketone) and most polyimide are crosslinkable but polysulphones and polyarylate are chain degradation type polymers. (3) Newly developed thermoplastic polyimides have possibilities for use as matrix materials in radiation resistant FRP. (author)

  2. Nucleophilic substitution with two reactive centers: The CN{sup −} + CH{sub 3}I case

    Energy Technology Data Exchange (ETDEWEB)

    Carrascosa, E.; Bawart, M.; Stei, M.; Carelli, F.; Meyer, J.; Gianturco, F. A.; Wester, R., E-mail: roland.wester@uibk.ac.at [Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck (Austria); Linden, F.; Geppert, W. D. [Department of Physics, AlbaNova, Stockholm University, 10691 Stockholm (Sweden)

    2015-11-14

    The nucleophilic substitution reaction CN{sup −} + CH{sub 3}I allows for two possible reactive approaches of the reactant ion onto the methyl halide, which lead to two different product isomers. Stationary point calculations predict a similar shape of the potential and a dominant collinear approach for both attacks. In addition, an H-bonded pre-reaction complex is identified as a possible intermediate structure. Submerged potential energy barriers hint at a statistical formation process of both CNCH{sub 3} and NCCH{sub 3} isomers at the experimental collision energies. Experimental angle- and energy differential cross sections show dominant direct rebound dynamics and high internal excitation of the neutral product. No distinct bimodal distributions can be extracted from the velocity images, which impedes the indication of a specific preference towards any of the product isomers. A forward scattering simulation based on the experimental parameters describes accurately the experimental outcome and shows how the possibility to discriminate between the two isomers is mainly hindered by the large product internal excitation.

  3. Surface-active ionic liquids in micellar catalysis: impact of anion selection on reaction rates in nucleophilic substitutions.

    Science.gov (United States)

    Cognigni, Alice; Gaertner, Peter; Zirbs, Ronald; Peterlik, Herwig; Prochazka, Katharina; Schröder, Christian; Bica, Katharina

    2016-05-21

    A series of surface-active ionic liquids based on the 1-dodecyl-3-methylimidazolium cation and different anions such as halides and alkylsulfates was synthesized. The aggregation behavior of these ionic liquids in water was characterized by surface tension, conductivity measurements and UV-Vis spectroscopy in order to determine the critical micelle concentration (CMC) and to provide aggregation parameters. The determination of surface activity and aggregation properties of amphiphilic ionic liquids was accompanied by SAXS studies on selected surface-active ionic liquids. The application of these surface-active ionic liquids with different anions was tested in nucleophilic substitution reactions for the degradation of organophosphorus compounds. Kinetic studies via UV-Vis spectrophotometry showed a strong acceleration of the reaction in the micellar system compared to pure water. In addition, an influence of the anion was observed, resulting in a correlation between the anion binding to the micelle and the reaction rate constants, indicating that the careful choice of the surface-active ionic liquid can considerably affect the outcome of reactions. PMID:27121134

  4. Boron isotopic enrichment by displacement chromatography

    International Nuclear Information System (INIS)

    10B enriched boron is used in applications requiring high volumetric neutron absorption (absorption cross section- 3837 barn for thermal and 1 barn for 1 MeV fast neutron). It is used in fast breeder reactor (as control rod material), in neutron counter, in Boron Neutron Capture Therapy etc. Owing to very small separation factor, boron isotopic enrichment is a complex process requiring large number of separation stages. Heavy Water Board has ventured in industrial scale production of 10B enriched boron using Exchange Distillation Process as well as Ion Displacement Chromatography Process. Ion Displacement Chromatography process is used in Boron Enrichment Plant at HWP, Manuguru. It is based on isotopic exchange between borate ions (B(OH)4-) on anion exchange resin and boric acid passing through resin. The isotopic exchange takes place due to difference in zero point energy of 10B and 11B

  5. Charge-displacement analysis for excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ronca, Enrico, E-mail: enrico@thch.unipg.it; Tarantelli, Francesco, E-mail: francesco.tarantelli@unipg.it [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, I-06123 Perugia (Italy); Pastore, Mariachiara, E-mail: chiara@thch.unipg.it; Belpassi, Leonardo; De Angelis, Filippo [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Angeli, Celestino; Cimiraglia, Renzo [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, via Borsari 46, I-44100 Ferrara (Italy)

    2014-02-07

    We extend the Charge-Displacement (CD) analysis, already successfully employed to describe the nature of intermolecular interactions [L. Belpassi et al., J. Am. Chem. Soc. 132, 13046 (2010)] and various types of controversial chemical bonds [L. Belpassi et al., J. Am. Chem. Soc. 130, 1048 (2008); N. Salvi et al., Chem. Eur. J. 16, 7231 (2010)], to study the charge fluxes accompanying electron excitations, and in particular the all-important charge-transfer (CT) phenomena. We demonstrate the usefulness of the new approach through applications to exemplary excitations in a series of molecules, encompassing various typical situations from valence, to Rydberg, to CT excitations. The CD functions defined along various spatial directions provide a detailed and insightful quantitative picture of the electron displacements taking place.

  6. Precision optical displacement measurements using biphotons

    CERN Document Server

    Lyons, Kevin; Kwiat, Paul G; Jordan, Andrew N

    2016-01-01

    We propose and examine the use of biphoton pairs, such as those created in parametric down conversion or four-wave mixing, to enhance the precision and the resolution of measuring optical displacements by position-sensitive detection. We show that the precision of measuring a small optical beam displacement with this method can be significantly enhanced by the correlation between the two photons, given the same optical mode. The improvement is largest if the correlations between the photons are strong, and falls off as the biphoton correlation weakens. More surprisingly, we find that the smallest resolvable parameter of a simple split detector scales as the inverse of the number of biphotons for small biphoton number ("Heisenberg scaling"), because the Fisher information diverges as the parameter to be estimated decreases in value. One usually sees this scaling only for systems with many entangled degrees of freedom. We discuss the transition for the split-detection scheme to the standard quantum limit scalin...

  7. Additional Nucleophile-Free FeCl3-Catalyzed Green Deprotection of 2,4-Dimethoxyphenylmethyl-Protected Alcohols and Carboxylic Acids.

    Science.gov (United States)

    Sawama, Yoshinari; Masuda, Masahiro; Honda, Akie; Yokoyama, Hiroki; Park, Kwihwan; Yasukawa, Naoki; Monguchi, Yasunari; Sajiki, Hironao

    2016-01-01

    The deprotection of the methoxyphenylmethyl (MPM) ether and ester derivatives can be generally achieved by the combinatorial use of a catalytic Lewis acid and stoichiometric nucleophile. The deprotections of 2,4-dimethoxyphenylmethyl (DMPM)-protected alcohols and carboxylic acids were found to be effectively catalyzed by iron(III) chloride without any additional nucleophile to form the deprotected mother alcohols and carboxylic acids in excellent yields. Since the present deprotection proceeds via the self-assembling mechanism of the 2,4-DMPM protective group itself to give the hardly-soluble resorcinarene derivative as a precipitate, the rigorous purification process by silica-gel column chromatography was unnecessary and the sufficiently-pure alcohols and carboxylic acids were easily obtained in satisfactory yields after simple filtration. PMID:27373632

  8. The credit market consequences of job displacement

    OpenAIRE

    Benjamin J. Keys

    2010-01-01

    This paper demonstrates the important role of job displacement in the household bankruptcy decision. I develop a dynamic, forward-looking model of unemployment and bankruptcy where persistent negative income shocks increase a household's likelihood of filing for bankruptcy both immediately and in the future. Consistent with the model's predictions, I find that households in the NLSY are 2.5 times more likely to file for bankruptcy in the year immediately following a job loss, at a rate of an ...

  9. Forced displacement in Colombia: Magnitude and causes

    OpenAIRE

    Ana María Ibáñez

    2009-01-01

    The article describes the magnitude, geographical extent, and causes of forced populationdisplacements in Colombia. Forced migration in Colombia is a war strategy adopted by armed groups to strengthen territorial strongholds, weaken civilian support to the enemy, seize valuable lands, and produce and transport illegal drugs with ease. Forced displacement in Colombia today affects 3.5 million people. Equivalent to 7.8 percent of Colombia’s population, and second worldwide only to Sudan, this s...

  10. Environmentally-induced displacement and human security

    OpenAIRE

    Terminski, Bogumil

    2012-01-01

    We can distinguish two general causes of internal displacement worldwide: 1. the impact of threats to and ensuing decline in the level of human security below that needed for normal existence in the homeland territory, 2. administrative compulsion to leave the current place of residence. Every year, at least tens of millions of people on all continents are forced to leave their places of residence. The predominant cause is the occurrence of natural disasters, creating the most dynamic categor...

  11. Ultra-High-Frequency Capacitive Displacement Sensor

    Science.gov (United States)

    Vanzandt, Thomas R.; Kenny, Thomas W.; Kaiser, William J.

    1994-01-01

    Improved class of compact, high-resolution capacitive displacement sensors operates at excitation frequency of 915 MHz and measures about 7.5 by 4 by 2 centimeters. Contains commercially available 915-MHz oscillator and transmission-line resonator. Resonator contains stripline inductor in addition to variable capacitor. Ultrahigh excitation frequency offers advantages of resolution and frequency response. Not deleteriously affected by mechanical overdriving, or contact between electrodes.

  12. Two-Domain DNA Strand Displacement

    OpenAIRE

    Luca Cardelli

    2010-01-01

    We investigate the computing power of a restricted class of DNA strand displacement structures: those that are made of double strands with nicks (interruptions) in the top strand. To preserve this structural invariant, we impose restrictions on the single strands they interact with: we consider only two-domain single strands consisting of one toehold domain and one recognition domain. We study fork and join signal-processing gates based on these structures, and we show that these systems are ...

  13. Relativistic Lagrangian displacement field and tensor perturbations

    OpenAIRE

    Rampf, C.; Wiegand, A.

    2014-01-01

    We investigate the purely spatial Lagrangian coordinate transformation from the Lagrangian to the fundamental Eulerian frame. We demonstrate three techniques for extracting the relativistic displacement field from a given solution in the Lagrangian frame. These techniques are (a) from defining a local set of Eulerian coordinates embedded into the Lagrangian frame; (b) from performing a specific gauge transformation; and (c) from a fully non-perturbative approach based on the ADM split. The la...

  14. Probing gaugino coannihilation with displaced vertex searches

    CERN Document Server

    Nagata, Natsumi

    2016-01-01

    Bino-like dark matter in supersymmetric theories tends to suffer from over-production. This problem can be evaded if there is another gaugino which has a mass close to the bino mass so that it enhances the annihilation rate of bino dark matter through coannihilation. We study such possibilities in high-scale supersymmetric models, and show that searches for long-lived particles with displaced vertices can test the bino-gaugino coannihilation scenario in the forthcoming LHC experiments.

  15. Laser Measurement of Building Vibration and Displacement

    OpenAIRE

    A.J. Bougard; B.R. Ellis

    2000-01-01

    This paper considers four laser systems used by the Building Research Establishment (BRE) to investigate the behaviour of structures. Lasers enable remote measurements of vibration and displacement to be taken where access to a structure is difficult or where fire, explosion or structural collapse creates a hazardous environment. Each system will be described, and its use illustrated using measurements taken on real structures.The four systems are:1. Laser Interferometer: This is used to meas...

  16. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    Science.gov (United States)

    Smith, R.E.; Dolbeare, F.A.

    1980-10-21

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes. No Drawings

  17. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    Science.gov (United States)

    Smith, Robert E.; Dolbeare, Frank A.

    1979-01-01

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 5-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes.

  18. Comparing Teaching Approaches About Maxwell's Displacement Current

    Science.gov (United States)

    Karam, Ricardo; Coimbra, Debora; Pietrocola, Maurício

    2014-08-01

    Due to its fundamental role for the consolidation of Maxwell's equations, the displacement current is one of the most important topics of any introductory course on electromagnetism. Moreover, this episode is widely used by historians and philosophers of science as a case study to investigate several issues (e.g. the theory-experiment relationship). Despite the consensus among physics educators concerning the relevance of the topic, there are many possible ways to interpret and justify the need for the displacement current term. With the goal of understanding the didactical transposition of this topic more deeply, we investigate three of its domains: (1) The historical development of Maxwell's reasoning; (2) Different approaches to justify the term insertion in physics textbooks; and (3) Four lectures devoted to introduce the topic in undergraduate level given by four different professors. By reflecting on the differences between these three domains, significant evidence for the knowledge transformation caused by the didactization of this episode is provided. The main purpose of this comparative analysis is to assist physics educators in developing an epistemological surveillance regarding the teaching and learning of the displacement current.

  19. Vertical displacement and position control in tokamaks

    International Nuclear Information System (INIS)

    Free-boundary nearly rigid displacements are considered in a plasma confined by a magnetic field consisting of one part generated by the plasma current density, and one part being due to steady currents in fixed external conductors. An induced surface current effect and a related force on the plasma arise when the externally applied field is inhomogeneous in the direction of displacement. This additional force has not been taken into account in conventional MHD theory. In the particular case of tokamaks , the induced surface current effect has two impacts on vertical nearly rigid displacements. First, there arises an additional restoring force and a positive contribution to the change in potential energy when the externally applied field is inhomogeneous in the vertical direction. A special design of poloidal field coils can thus provide new means for vertical position control in tokamaks, also in the case of strongly elongated cross-sections. Second, an earlier simplified model, in which the plasma is represented by a line current, has to be modified since the plasma is a highly conducting body of finite size. 4 refs

  20. The concerted action of a positive charge and hydrogen bonds dynamically regulates the pKa of the nucleophilic cysteine in the NrdH-redoxin family.

    Science.gov (United States)

    Van Laer, Koen; Oliveira, Margarida; Wahni, Khadija; Messens, Joris

    2014-02-01

    NrdH-redoxins shuffle electrons from the NADPH pool in the cell to Class Ib ribonucleotide reductases, which in turn provide the precursors for DNA replication and repair. NrdH-redoxins have a CVQC active site motif and belong to the thioredoxin-fold protein family. As for other thioredoxin-fold proteins, the pK(a) of the nucleophilic cysteine of NrdH-redoxins is of particular interest since it affects the catalytic reaction rate of the enzymes. Recently, the pK(a) value of this cysteine in Corynebacterium glutamicum and Mycobacterium tuberculosis NrdH-redoxins were determined, but structural insights explaining the relatively low pK(a) remained elusive. We subjected C. glutamicum NrdH-redoxin to an extensive molecular dynamics simulation to expose the factors regulating the pK(a) of the nucleophilic cysteine. We found that the nucleophilic cysteine receives three hydrogen bonds from residues within the CVQC active site motif. Additionally, a fourth hydrogen bond with a lysine located N-terminal of the active site further lowers the cysteine pK(a). However, site-directed mutagenesis data show that the major contribution to the lowering of the cysteine pK(a) comes from the positive charge of the lysine and not from the additional Lys-Cys hydrogen bond. In 12% of the NrdH-redoxin family, this lysine is replaced by an arginine that also lowers the cysteine pK(a). All together, the four hydrogen bonds and the electrostatic effect of a lysine or an arginine located N-terminally of the active site dynamically regulate the pK(a) of the nucleophilic cysteine in NrdH-redoxins. PMID:24243781

  1. New Method for Nucleophilic Substitution on Hexachlorocyclotriphosphazene by Allylamine Using an Algerian Proton Exchanged Montmorillonite Clay (Maghnite-H+) as a Green Solid Catalyst

    OpenAIRE

    Lahouaria Medjdoub; Belbachir Mohammed

    2016-01-01

    Nucleophilic substitution on hexachlorocyclotriphosphazene (HCCTP) with allylamine in order to give hexa(allylamino)cyclotriphosphazene (HACTP)  is performed for the first time under mild conditions by using diethylether as solvent to replace benzene which is very toxic. The reaction time is reduced to half and also performed at room temperature but especially in the presence of an eco-catalyst called Maghnite-H+. This catalyst has a significant role in the industrial scale. In fact, the use ...

  2. A Redox-Nucleophilic Dual-Reactable Probe for Highly Selective and Sensitive Detection of H2S: Synthesis, Spectra and Bioimaging

    Science.gov (United States)

    Zhang, Changyu; Wang, Runyu; Cheng, Longhuai; Li, Bingjie; Xi, Zhen; Yi, Long

    2016-07-01

    Hydrogen sulfide (H2S) is an important signalling molecule with multiple biological functions. The reported H2S fluorescent probes are majorly based on redox or nucleophilic reactions. The combination usage of both redox and nucleophilic reactions could improve the probe’s selectivity, sensitivity and stability. Herein we report a new dual-reactable probe with yellow turn-on fluorescence for H2S detection. The sensing mechanism of the dual-reactable probe was based on thiolysis of NBD (7-nitro-1,2,3-benzoxadiazole) amine (a nucleophilic reaction) and reduction of azide to amine (a redox reaction). Compared with its corresponding single-reactable probes, the dual-reactable probe has higher selectivity and fluorescence turn-on fold with magnitude of multiplication from that of each single-reactable probe. The highly selective and sensitive properties enabled the dual-reactable probe as a useful tool for efficiently sensing H2S in aqueous buffer and in living cells.

  3. Fluorescent aromatic sensors and their methods of use

    Science.gov (United States)

    Meador, Michael A. (Inventor); Tyson, Daniel S. (Inventor); Ilan, Ulvi F. (Inventor)

    2012-01-01

    Aromatic molecules that can be used as sensors are described. The aromatic sensors include a polycyclic aromatic hydrocarbon core with a five-membered imide rings fused to the core and at least two pendant aryl groups. The aromatic sensor molecules can detect target analytes or molecular strain as a result of changes in their fluorescence, in many cases with on-off behavior. Aromatic molecules that fluoresce at various frequencies can be prepared by altering the structure of the aromatic core or the substituents attached to it. The aromatic molecules can be used as sensors for various applications such as, for example, the detection of dangerous chemicals, biomedical diagnosis, and the detection of damage or strain in composite materials. Methods of preparing aromatic sensor molecules are also described.

  4. Ultrasonography for non-displaced and mini-displaced humeral lateral condyle fractures in children

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jing-dong; CHEN Hua

    2008-01-01

    Objective: To evaluate the value of ultrasonography in non-displaced and mini-displaced humeral lateral condyle fractures in children.Methods: Nine children aged 2-9 years with non-displaced or mini-displaced humeral lateral condyle fractures were examined by high-resolution ultrasonography.The fracture line through the joint surface was visualized by ultrasonography in 6 case,in which closed reduction and percutaneous pinning was performed on 3 patients and other 3 patients did not receive the treatment because of patients' or their parents'refusal.In the remaining 3 children,ultrasonography did not reveal the cartilaginous trochle involvement at the joint surface and conservative treatment was adopted.Results: The average follow-up period was 8 months.The sonographic findings were confirmed by magnetic resonance imaging in one child who received conservative treatment and another child who received percutaneous pinning.The elbow function and fractttre healing were good in cases received closed reduction and percutaneous pinning.Among the three cases who refused to receive closed reduction and internal f'txation,re-displacement occurred in 1 case and delayed union in 1 case.All three cases receiving conservative treatment had good results both in elbow function and fracture healing.Conclusion: High-resolution ultrasonography enable to reveal non-displaced and mini-displaced humeral lateral condyle fractures as well as to ascertain whether the cartilaginous trochlea humeri was involved.For these cases,arthrography or magnetic resonance imaging is unnecessary.

  5. Polycyclic Aromatic Hydrocarbons as Plausible Prebiotic Membrane Components

    OpenAIRE

    Groen, Joost; Deamer, David W.; Kros, Alexander; Ehrenfreund, Pascale

    2012-01-01

    Aromatic molecules delivered to the young Earth during the heavy bombardment phase in the early history of our solar system were likely to be among the most abundant and stable organic compounds available. The Aromatic World hypothesis suggests that aromatic molecules might function as container elements, energy transduction elements and templating genetic components for early life forms. To investigate the possible role of aromatic molecules as container elements, we incorporated different p...

  6. Electronic Aromaticity Index for Large Rings

    CERN Document Server

    Matito, Eduard

    2015-01-01

    We introduce a new electronic aromaticity index, AV1245, consisting in the average of the 4-center MCI values along the ring that keep a positional relationship of 1,2,4,5. AV1245 measures the extent of transferability of the delocalized electrons between bonds 1-2 and 4-5, which is expected to be large in conjugated circuits and, therefore, in aromatic molecules. A new algorithm for the calculation of MCI for large rings is also introduced and used to produce the data for the calibration of the new aromaticity index. AV1245 does not rely on reference values, does not suffer from large numerical precision errors, and it does not present any limitation on the nature of atoms, the molecular geometry or the level of calculation. It is a size-extensive measure with a small computational cost that grows linearly with the number of ring members. Therefore, it is specially suitable to study the aromaticity of large molecular rings as those occurring in belt-shaped M\\"obius structures or porphyrins.

  7. Extremely long aromatics: Diastereomerically pure [19]helicene

    Czech Academy of Sciences Publication Activity Database

    Nejedlý, Jindřich; Rybáček, Jiří; Stará, Irena G.; Starý, Ivo

    Praha: Czech Chemical Society, 2015. s. 119. [Liblice 2015. Advances in Organic , Bioorganic and Pharmaceutical Chemistry /50./. 06.11.2015-08.11.2015, Olomouc] R&D Projects: GA ČR(CZ) GA14-29667S Institutional support: RVO:61388963 Keywords : helically chiral aromatics * helicenes * [2+2+2] cycloisomerisation Subject RIV: CC - Organic Chemistry

  8. Aromatic cytokinins in micropropagated potato plants

    Czech Academy of Sciences Publication Activity Database

    Baroja, F. E.; Aguirreolea, J.; Martínková, Hana; Hanuš, Jan; Strnad, Miroslav

    2002-01-01

    Roč. 40, č. 3 (2002), s. 217-224. ISSN 0981-9428 R&D Projects: GA MŠk OC 844.10; GA ČR GA301/02/0475 Institutional research plan: CEZ:AV0Z5038910 Keywords : Acclimatization * Aromatic cytokinins * Micropropagation Subject RIV: CE - Biochemistry Impact factor: 1.582, year: 2002

  9. Discovering Chemical Aromaticity Using Fragrant Plants

    Science.gov (United States)

    Schneider, Tanya L.

    2010-01-01

    Introductory organic chemistry is often perceived as inaccessible by students. This article describes a method used to link organic chemistry to everyday experience, asking students to explore whether fragrant molecules are also aromatic in the chemical sense. Students were engaged in this activity, excited about their results, and performed well…

  10. Thermoset/Thermoplastic Aromatic Polyamides for Composites

    Science.gov (United States)

    St. Clair, T. L.; St. Clair, A. K.; Barrick, J. D.; Wolfe, J. F.; Greenwood, T. D.

    1983-01-01

    Aromatic polyamides are processed at relatively low temperature, then heat-treated to attain high softening temperature required when polyamides are used as matrix resins in structural composites. New polyamides are compatable with organic fibers often used as reinforcing agents in such composites Pendent propargyl groups serve as latent cross-linking agents in new series of polyamide resins.

  11. An electronic aromaticity index for large rings.

    Science.gov (United States)

    Matito, Eduard

    2016-04-28

    We introduce a new electronic aromaticity index, AV1245, consisting of an average of the 4-center multicenter indices (MCI) along the ring that keeps a positional relationship of 1, 2, 4, 5. AV1245 measures the extent of transferability of the delocalized electrons between bonds 1-2 and 4-5, which is expected to be large in conjugated circuits and, therefore, in aromatic molecules. A new algorithm for the calculation of MCI for large rings is also introduced and used to produce the data for the calibration of the new aromaticity index. AV1245 does not rely on reference values, does not suffer from large numerical precision errors, and it does not present any limitation on the nature of atoms, the molecular geometry or the level of calculation. It is a size-extensive measure with low computational cost that grows linearly with the number of ring members. Therefore, it is especially suitable to study the aromaticity of large molecular rings such as those occurring in belt-shaped Möbius structures or porphyrins. The analysis of AV1245 in free-base and bis-metalated Pd [32]octaphyrins(1,0,1,0,1,0,1,0) completes this study. PMID:26878146

  12. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  13. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached to the silicone backbone. The dielectric relative permittivity of PDMS-PPMS copolymers remained between 2 to3 with low conductivity and low dielectric loss as well as high storage moduli with low viscousloss...

  14. Dihydrodiol dehydrogenase and polycyclic aromatic hydrocarbon metabolism

    Energy Technology Data Exchange (ETDEWEB)

    Smithgall, T.E.

    1986-01-01

    Carcinogenic activation of polycyclic aromatic hydrocarbons by microsomal monoxygenases proceeds through trans-dihydrodiol metabolites to diol-epoxide ultimate carcinogens. This thesis directly investigated the role of dihydrodiol dehydrogenase, a cytosolic NAD(P)-linked oxidoreductase, in the detoxification of polycyclic aromatic trans-dihydrodiols. A wide variety of non-K-region trans-dihydrodiols were synthesized and shown to be substrates for the homogeneous rat liver dehydrogenase, including several potent proximate carcinogens derived from 7,12-dimethylbenz(a)anthracene, 5-methylchrysene, and benzo(a)pyrene. Since microsomal activation of polycyclic aromatic hydrocarbons is highly stereospecific, the stereochemical course of enzymatic trans-dihydrodiol oxidation was monitored using circular dichroism spectropolarimetry. The major product formed from the dehydrogenase-catalyzed oxidation of the trans-1,2-dihydrodiol of naphthalene was characterized using UV, IR, NMR, and mass spectroscopy, and appears to be 4-hydroxy-1,2-naphthoquinone. Mass spectral analysis suggests that an analogous hydroxylated o-quinone is formed as the major product of benzo(a)pyrene-7,8-dihydrodiol oxidation. Enzymatic oxidation of trans-dihydrodiols was shown to be potently inhibited by all of the major classes of the nonsteroidal antiinflammatory drugs. Enhancement of trans-dihydrodiol proximate carcinogen oxidation may protect against possible adverse effects of the aspirin-like drugs, and help maintain the balance between activation and detoxification of polycyclic aromatic hydrocarbons.

  15. Regioselective photoamination of 4-nitroveratrole upon cyclodextrin complexation

    Indian Academy of Sciences (India)

    M C Durai Manickam; K Pitchumani; C Srinivasan

    2003-08-01

    Photoamination of 4-nitroveratrole in cyclodextrins with the nucleophiles ammonia, methylamine and hexylamine provides a new route to regioselectivity. This method gives a displaced product para to the nitro group as the predominant product, in contrast to the solution reaction wherein the meta-displaced product predominates. This is due to the change in the mechanistic shift from S2Ar∗, wherein the nitro group is meta-directing, to a mechanism involving electron transfer from the nucleophile to the excited aromatic substrate (S (ET)Ar∗) to give the para-displaced product.

  16. Aromatic oligoamides with a rare ortho-connectivity

    DEFF Research Database (Denmark)

    Hjelmgaard, T.; Nielsen, John

    2013-01-01

    Even though aromatic oligoamides composed of aromatic amino acids in a "one-way sequence" attract ever increasing research interest, backbones connected through ortho-linked aromatics remain rare. Herein, we present the first synthesis and study of N-alkylated ortho-aminomethyl- benzamides termed...

  17. 40 CFR 721.5762 - Aromatic aldehyde phenolic resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic aldehyde phenolic resin... Specific Chemical Substances § 721.5762 Aromatic aldehyde phenolic resin (generic). (a) Chemical substance... aromatic aldehyde phenolic resin (PMN P-01-573) is subject to reporting under this section for...

  18. 40 CFR 721.2673 - Aromatic epoxide resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic epoxide resin (generic). 721... Substances § 721.2673 Aromatic epoxide resin (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as aromatic epoxide resin (PMN...

  19. Plasmids and aromatic degradation in Sphingomonas for bioremediation : Aromatic ring cleavage genes in soil and rhizosphere

    OpenAIRE

    SipilÀ, Timo

    2009-01-01

    Microbial degradation pathways play a key role in the detoxification and the mineralization of polyaromatic hydrocarbons (PAHs), which are widespread pollutants in soil and constituents of petroleum hydrocarbons. In microbiology the aromatic degradation pathways are traditionally studied from single bacterial strains with capacity to degrade certain pollutant. In soil the degradation of aromatics is performed by a diverse community of micro-organisms. The aim of this thesis was to study biode...

  20. Displacement Mechanism of Polymer Flooding by Molecular Tribology

    Institute of Scientific and Technical Information of China (English)

    YANG Er-Long; SONG Kao-Ping

    2006-01-01

    @@ Whether polymer flooding can enhance displacement efficiency or not is still a problem under debate. Laboratory experiment, numerical simulation and core data analysis are the commonly used means to study polymer flooding displacement efficiency.

  1. The Theme of Displacement in Contemporary Art

    Directory of Open Access Journals (Sweden)

    John POTTS

    2012-03-01

    Full Text Available Cet article examine les images et idées de dislocation dans des œuvres d'art récentes. Le thème du déplacement ou de la dislocation est traité dans le contexte de l'aspect globalisant de l'art contemporain, considéré lui-même comme un reflet de la mondialisation. Les principaux textes théoriques qui influencent et informent les pratiques en matière de conservation sont abordés, entre autres les écrits de Giorgio Agamben, Nicolas Bourriaud et Rex Butler. Le thème de la dislocation dans l'art contemporain est analysé au travers des œuvres de nombreux artistes, tels que Francis Alÿs, Bill Fontana, Allan Sekula, Chen Chieh-jen, Ai Wei Wei, Rosemary Laing, Mike Parr, Santiago Sierra, Rebecca Belmore et Tracey Moffatt.This essay considers images and ideas of displacement in recent works of art. The theme of displacement is examined in the context of the globalist aspect of contemporary art, itself a reflection of globalisation. Influential theoretical texts informing curatorial practice and the discourse of contemporary art theory are discussed, including the writings of Girogio Agamben, Nicolas Bourriaud and Rex Butler. The theme of displacement in contemporary art is analysed with regard to the work of many artists, including Francis Alÿs, Bill Fontana, Allan Sekula, Chen Chieh-jen, Ai Wei Wei, Rosemary Laing, Mike Parr, Santiago Sierra, Rebecca Belmore and Tracey Moffatt.

  2. Quantum Mechanical and Molecular Dynamics Studies of the Reaction Mechanism of the Nucleophilic Substitution at the Si Atom.

    Science.gov (United States)

    Matsubara, Toshiaki; Ito, Tomoyoshi

    2016-05-01

    The mechanism of the nucleophilic substitution at the Si atom, SiH3Cl + Cl*(-) → SiH3Cl* + Cl(-), is examined by both quantum mechanical (QM) and molecular dynamics (MD) methods. This reaction proceeds by two steps with the inversion or retention of the configuration passing through an intermediate with the trigonal bipyramid (TBP) structure, although the conventional SN2 reaction at the C atom proceeds by one step with the inversion of the configuration passing through a transition state with the TBP structure. We followed by the QM calculations all the possible paths of the substitution reaction that undergo the TBP intermediates with the cis and trans forms produced by the frontside and backside attacks of Cl(-). As a result, it was thought that TBPcis1 produced with a high probability is readily transformed to the energetically more stable TBPtrans. This fact was also shown by the MD simulations. In order to obtain more information concerning the trajectory of Cl(-) on the dissociation from TBPtrans, which we cannot clarify on the basis of the energy profile determined by the QM method, the MD simulations with and without the water solvent were conducted and analyzed in detail. The QM-MD simulations without the water solvent revealed that the dissociation of Cl(-) from TBPtrans occurs without passing through TBPcis1'. The ONIOM-MD simulations with the water solvent further suggested that the thermal fluctuation of the water solvent significantly affects the oscillation of the kinetic and potential energies of the substrate to facilitate the isomerization of the TBP intermediate from the cis form to the trans form and the subsequent dissociation of Cl(-) from TBPtrans. PMID:27046773

  3. Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-β-lactamases.

    Science.gov (United States)

    Fonseca, Fátima; Bromley, Elizabeth H C; Saavedra, Maria José; Correia, António; Spencer, James

    2011-09-01

    Metallo-β-lactamases (MBLs) or class B β-lactamases are zinc-dependent enzymes capable of inactivating almost all classes of β-lactam antibiotics. To date, no MBL inhibitors are available for clinical use. Of the three MBL subclasses, B2 enzymes, unlike those from subclasses B1 and B3, are fully active with one zinc ion bound and possess a narrow spectrum of activity, hydrolyzing carbapenem substrates almost exclusively. These remain the least studied MBLs. Sfh-I, originally identified from the aquatic bacterium Serratia fonticola UTAD54, is a divergent member of this group. Previous B2 MBL structures, available only for the CphA enzyme from Aeromonas hydrophila, all contain small molecules bound in their active sites. In consequence, the mechanism by which these enzymes activate the water nucleophile required for β-lactam hydrolysis remains to be unambiguously established. Here we report crystal structures of Sfh-I as a complex with glycerol and in the unliganded form, revealing for the first time the disposition of water molecules in the B2 MBL active site. Our data indicate that the hydrolytic water molecule is activated by His118 rather than by Asp120 and/or zinc. Consistent with this proposal, we show that the environment of His118 in B2 MBLs is distinct from that of the B1 and B3 enzymes, where this residue acts as a zinc ligand, and offer a structure-based mechanism for β-lactam hydrolysis by these enzymes. PMID:21762699

  4. Year of displaced people’s rights in Colombia

    OpenAIRE

    Marco Alberto Romero

    2007-01-01

    A Campaign for the Rights of Displaced People in Colombia, launched in 2007 by UNHCR, Colombian NGO CODHES and the Catholic Church, has tried to raise awareness in Colombia and the international community about the severity of the country’s displacement crisis and its failure to guarantee the rights of displaced people.

  5. 40 CFR 86.419-2006 - Engine displacement, motorcycle classes.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Engine displacement, motorcycle... Emission Regulations for 1978 and Later New Motorcycles, General Provisions § 86.419-2006 Engine displacement, motorcycle classes. (a)(1) Engine displacement shall be calculated using nominal engine...

  6. 40 CFR 86.419-78 - Engine displacement, motorcycle classes.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Engine displacement, motorcycle... Emission Regulations for 1978 and Later New Motorcycles, General Provisions § 86.419-78 Engine displacement, motorcycle classes. (a)(1) Engine displacement shall be calculated using nominal engine values and rounded...

  7. Displacer rod for use in a mechanical spectral shift reactor

    International Nuclear Information System (INIS)

    A displacer rod for use in a mechanical spectral shift pressurized water nuclear reactor comprises a sectioned substantially hollow low neutron absorbing metal rod capable of displacing reactor coolant without absorbing a high amount of neutrons. The tubular sections preferably consist of stainless steel and Zircaloy tubing interconnected by a solid Zircaloy metal rod and may contain pellets for weighting the displacer rod. (author)

  8. Two-Domain DNA Strand Displacement

    Directory of Open Access Journals (Sweden)

    Luca Cardelli

    2010-06-01

    Full Text Available We investigate the computing power of a restricted class of DNA strand displacement structures: those that are made of double strands with nicks (interruptions in the top strand. To preserve this structural invariant, we impose restrictions on the single strands they interact with: we consider only two-domain single strands consisting of one toehold domain and one recognition domain. We study fork and join signal-processing gates based on these structures, and we show that these systems are amenable to formalization and to mechanical verification.

  9. Two-Domain DNA Strand Displacement

    CERN Document Server

    Cardelli, Luca

    2010-01-01

    We investigate the computing power of a restricted class of DNA strand displacement structures: those that are made of double strands with nicks (interruptions) in the top strand. To preserve this structural invariant, we impose restrictions on the single strands they interact with: we consider only two-domain single strands consisting of one toehold domain and one recognition domain. We study fork and join signal-processing gates based on these structures, and we show that these systems are amenable to formalization and to mechanical verification.

  10. Simulating People Moving in Displacement Ventilated Rooms

    DEFF Research Database (Denmark)

    Mattsson, M.; Bjørn, Erik; Sandberg, M.; Nielsen, Peter V.

    A displacement ventilation system works better the more uni-directional the air flow through the ventilated room is: from floor to ceiling. Thus, from an air quality point of view, there should be as little vertical mixing of the room air as possible. It is therefore comprehensible that physical...... activity in the room -like peoples movements -in previous studies has been shown to influence the effectiveness of the ventilation. In this study we have compared results from previous tests, where a cylindrical person simulator was used, to results obtained when using a person simulator of more human...

  11. Mirror displacement energies and neutron skins

    CERN Document Server

    Duflo, J

    2002-01-01

    Assuming isospin conservation, it is shown that a single expression accounts for both neutron and proton radii. Excellent fits to the former turn out to be consistent with different neutron skins. To fix their values the displacement energies between mirror nuclei, MDE, are calculated using an accurately derived Coulomb energy, and smooth averages of the charge symmetry breaking potentials constrained to state of the art values. Optimum agreement with observed MDE and neutron skins is obtained. The remaining uncertainties are shown to be due to shell effects.

  12. Dynamics and structure of energetic displacement cascades

    International Nuclear Information System (INIS)

    This paper summarizes recent progress in the understanding of energetic displacement cascades and the primary state of damage in metals. On the theoretical side, the availability of supercomputers has greatly enhanced our ability to simulate cascades by molecular dynamics. Recent application of this simulation technique to Cu and Ni provides new insight into the dynamics of cascade processes. On the experimental side, new data on ion beam mixing and in situ electron microscopy studies of ion damage at low temperatures reveal the role of the thermodynamic properties of the material on cascade dynamics and structure. 38 refs., 9 figs

  13. Aromatic Structure in Simulates Titan Aerosol

    Science.gov (United States)

    Trainer, Melissa G.; Loeffler, M. J.; Anderson, C. M.; Hudson, R. L.; Samuelson, R. E.; Moore, M. A.

    2011-01-01

    Observations of Titan by the Cassini Composite Infrared Spectrometer (CIRS) between 560 and 20 per centimeter (approximately 18 to 500 micrometers) have been used to infer the vertical variations of Titan's ice abundances, as well as those of the aerosol from the surface to an altitude of 300 km [1]. The aerosol has a broad emission feature centered approximately at 140 per centimeter (71 micrometers). As seen in Figure 1, this feature cannot be reproduced using currently available optical constants from laboratory-generated Titan aerosol analogs [2]. The far-IR is uniquely qualified for investigating low-energy vibrational motions within the lattice structures of COITIDlex aerosol. The feature observed by CIRS is broad, and does not likely arise from individual molecules, but rather is representative of the skeletal movements of macromolecules. Since Cassini's arrival at Titan, benzene (C6H6) has been detected in the atmosphere at ppm levels as well as ions that may be polycyclic aromatic hydrocarbons (PAHs) [3]. We speculate that the feature may be a blended composite that can be identified with low-energy vibrations of two-dimensional lattice structures of large molecules, such as PAHs or nitrogenated aromatics. Such structures do not dominate the composition of analog materials generated from CH4 and N2 irradiation. We are performing studies forming aerosol analog via UV irradiation of aromatic precursors - specifically C6H6 - to understand how the unique chemical architecture of the products will influence the observable aerosol characteristics. The optical and chemical properties of the aromatic analog will be compared to those formed from CH4/N2 mixtures, with a focus on the as-yet unidentified far-IR absorbance feature. Preliminary results indicate that the photochemically-formed aromatic aerosol has distinct chemical composition, and may incorporate nitrogen either into the ring structure or adjoined chemical groups. These compositional differences are

  14. Structural description of aromatic core in residue fractions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, H.C.; Sun, W.F.; Fang, X.C.; Guan, M.H. [Fushun Research Inst. of Petroleum and Petrochemicals, Fushun, Liaoning (China)

    2008-07-01

    The chemical structures of a polycyclic aromatic core in Oman residue fractions was examined using proton nuclear magnetic resonance spectroscopy (1H-NMR), synchronous fluorescence spectrometry (SFS) and ruthenium ions catalyzed oxidation (RICO). It was important to understand the aromatic core structure in heavy oil fractions, including aromatic rings system size and condensed type. The types and content of benzenepolycarboxylic acids disclosed the condensed types of aromatic rings in core. Biphenyl fraction (BIPH), cata-condensed fraction (CATA), peri-condensed fraction (PERI) and condensed index (BCI) were calculated by benzenepolycarboxylic acids. The results from 1H-NMR showed that about 3.2 aromatic rings were in the aromatics core, 5.6 rings were in the resins unit, and 8.2 rings were in the asphaltenes unit. This paper also described the aromatic rings distribution of residue fractions as determined by SFS. The type and content of benzenepolycarboxylic acids from RICO of residue fractions suggested the condensed mode of rings in the aromatic core. The most cata-condensed type aromatic structures were in aromatics, the whole peri-condensed type were in asphaltenes, while the dominant peri-condensed type, as well as some quantity of cata-condensed type structures existed together in resins. Aromatics, resins and asphaltenes were given likely structural models based on results from this study. 8 refs., 3 tabs., 7 figs.

  15. Generalized atomic displacements in crystallographie structure analysis

    International Nuclear Information System (INIS)

    An attempt is made to summarize both theoretical and experimental aspects of generalized atomic displacement parameters (ADP's) in crystalline matter. Generalized displacement parameters are used to describe the weakening of Bragg intensities via the anharmonic (static or thermal) Debye-Waller factor (DWF) and its real-space counterpart, the generalized atomic probability density function (p.d.f.). The lattice dynamical base of the harmonic and anharmonic thermal DWF is discussed. It is pointed out that the static DWF frequently contains higher-order terms. The mathematical case for an experimental determination of generalized ADP's is given. The most popular current formulations (one-particle potential and statistical approaches) are reviewed and their individual limitations are discussed. Likewise the demands put on the quality and extent of experimental data are assessed. Some aids to the interpretation of generalized ADP's established by crystallographic least-squares procedures are given and a Monte-Carlo method for the calculation of errors in p.d.f. maps is presented. Finally, some prospects for future work are outlined and a more frequent comparison of theoretical calculations and experimental determinations of generalized ADP's is advocated. (orig.)

  16. Fluorescence enhancement aided by metal ion displacement.

    Science.gov (United States)

    Susini, Vanessa; Ienco, Andrea; Lucia Rossi, Veronica; Paolicchi, Aldo; Sanesi, Antonio

    2016-06-15

    Immunosensors are one of the most common platform used in clinical laboratories, in particular the class based on Enzyme Linked Fluorescent Assays (ELFA) takes advantage of the amplification step of the enzyme, usually the alkaline phosphatase, that catalyzes the hydrolysis of a fluorescent substrate leading it to fluoresce. Anyway, they suffer in sensitivity if compared to molecular diagnostic or more modern in vitro diagnostic devices. In our work, a simple and effective mechanism to enhance the fluorescent signal, and hence the sensitivity of the system, is presented. It is based on the metal ion displacement principle in which a second fluorophore, in our case Calcein Blue, quenched by a cobalt ion is add to the first one (4-MUP), and, in presence of inorganic phosphate, it will be progressively activated by the inorganic phosphate itself leading to the metal displacement. In this way Calcein Blue, newly free to fluoresce, contributes to global fluorescent signal generated by 4-MU. We have tested our proof of principle on a currently used immunoanalyzer, that is VIDAS® system (bioMérieux, Marcy l'Etoile, France) obtaining a fluorescence enhancement of about 50% for each concentration of hydrolyzed 4-MUP tested. PMID:26851581

  17. Precision optical displacement measurements using biphotons

    Science.gov (United States)

    Lyons, Kevin; Pang, Shengshi; Kwiat, Paul G.; Jordan, Andrew N.

    2016-04-01

    We propose and examine the use of biphoton pairs, such as those created in parametric down-conversion or four-wave mixing, to enhance the precision and the resolution of measuring optical displacements by position-sensitive detection. We show that the precision of measuring a small optical beam displacement with this method can be significantly enhanced by the correlation between the two photons, given the same optical mode. The improvement is largest if the correlations between the photons are strong, and falls off as the biphoton correlation weakens. More surprisingly, we find that the smallest resolvable parameter of a simple split detector scales as the inverse of the number of biphotons for small biphoton number ("Heisenberg scaling"), because the Fisher information diverges as the parameter to be estimated decreases in value. One usually sees this scaling only for systems with many entangled degrees of freedom. We discuss the transition for the split-detection scheme to the standard quantum limit scaling for imperfect correlations as the biphoton number is increased. An analysis of an N -pixel detector is also given to investigate the benefit of using a higher resolution detector. The physical limit of these metrology schemes is determined by the uncertainty in the birth zone of the biphoton in the nonlinear crystal.

  18. Pulse tube stirling machine with warm gas-driven displacer

    Science.gov (United States)

    Zhu, Shaowei; Nogawa, Masafumi

    2010-05-01

    A pulse tube type stirling machine with warm gas-driven displacer which has a displacer rod is discussed with numerical simulation when it is used as a cryogenic refrigerator, room temperature refrigerator and engine. It has both the advantages of gas-driven-stirling machine with high efficiency and simplicity and the advantages of pulse tube machine with no moving parts at low temperatures. A nodal analysis method that includes the linear motor and the displacer in the machine is introduced. Numerical results show that it has high potential to be used as the cryogenic refrigerator, room temperature refrigerator and engine. In this type of machine, there is an optimum phase angle between displacer and piston, and an optimum swept volume ratio of displacer over compressor for efficiency. The phase angle and swept volume ratio can be adjusted by the natural frequency of the displacer and the diameter of the displacer rod when it is used as a refrigerator.

  19. The effect of base pair mismatch on DNA strand displacement

    CERN Document Server

    Broadwater, Bo

    2016-01-01

    DNA strand displacement is a key reaction in DNA homologous recombination and DNA mismatch repair and is also heavily utilized in DNA-based computation and locomotion. Despite its ubiquity in science and engineering, sequence-dependent effects of displacement kinetics have not been extensively characterized. Here, we measured toehold-mediated strand displacement kinetics using single-molecule fluorescence in the presence of a single base pair mismatch. The apparent displacement rate varied significantly when the mismatch was introduced in the invading DNA strand. The rate generally decreased as the mismatch in the invader was encountered earlier in displacement. Our data indicate that a single base pair mismatch in the invader stalls branch migration, and displacement occurs via direct dissociation of the destabilized incumbent strand from the substrate strand. We combined both branch migration and direct dissociation into a model, which we term, the concurrent displacement model, and used the first passage t...

  20. Radiation chemistry of aromatic dimer radical cations

    International Nuclear Information System (INIS)

    π-π Interactions of aromatic molecules are paid attention much in many fields, especially biology, chemistry, and applied physics, represented as protein, DNA, electron donor-accepter complexes, charge transfers, and self assembly molecules. Aromatic molecules including benzene rings are the simplest case to study the π-π interactions. To interpret the charge resonance (CR) structure in the dimer radical cations, spectroscopic and ESR methods have been carried out. The spectroscopic study on the dimer radical ion of molecules with two chromophores would be profitable to identify the electronic and configurational properties. In this article, dynamics of the dimer radical cation of benzenes, polystyrenes, and resist polymers is described on the basis of direct observation of CR band by the nanosecond pulse radiolysis and low temperature γ-radiolysis methods. (author)

  1. Starlike aluminum-carbon aromatic species.

    Science.gov (United States)

    Wu, Yan-Bo; Jiang, Jin-Liang; Lu, Hai-Gang; Wang, Zhi-Xiang; Perez-Peralta, Nancy; Islas, Rafael; Contreras, Maryel; Merino, Gabriel; Wu, Judy I-Chia; Schleyer, Paul von Ragué

    2011-01-10

    Is it possible to achieve molecules with starlike structures by replacing the H atoms in (CH)(n)(q) aromatic hydrocarbons with aluminum atoms in bridging positions? Although D(4h) C(4)Al(4)(2-) and D(2) C(6)Al(6) are not good prospects for experimental realization, a very extensive computational survey of fifty C(5)Al(5)(-) isomers identified the starlike D(5h) global minimum with five planar tetracoordinate carbon atoms to be a promising candidate for detection by photoelectron detachment spectroscopy. BOMD (Born-Oppenheimer molecular dynamics) simulations and high-level theoretical computations verified this conclusion. The combination of favorable electronic and geometric structural features (including aromaticity and optimum C-Al-C bridge bonding) stabilizes the C(5)Al(5)(-) star preferentially. PMID:21207593

  2. Synthesis of aromatic cytokinins for plant biotechnology.

    Science.gov (United States)

    Plíhalová, Lucie; Vylíčilová, Hana; Doležal, Karel; Zahajská, Lenka; Zatloukal, Marek; Strnad, Miroslav

    2016-09-25

    Cytokinins represent an important group of plant growth regulators that can modulate several biotechnological processes owing to their ability to influence almost all stages of plant development and growth. In addition, the use of purine based cytokinins with aromatic substituent in C6 position of the purine moiety in tissue culture techniques is currently experiencing a surge in interest, made possible by the ongoing systematic synthesis and study of these compounds. This review article outlines progress in the synthesis of aromatic cytokinins, the in vitro and in vivo effects of these substances and insights gleaned from their synthesis. As the purine moiety in these compounds can be substituted at several positions, we examine each of the substitution possibilities in relation to the derivatives prepared so far. The discussion highlights the gradual simplification of their preparation in relation to their application in practice and summarizes the relevant organic chemistry literature and published patents. PMID:26703810

  3. Carcinogenic potential of hydrotreated petroleum aromatic extracts.

    OpenAIRE

    Doak, S. M.; Hend, R W; van der Wiel, A; Hunt, P F

    1985-01-01

    Five experimental petroleum extracts were produced from luboil distillates derived from Middle East paraffinic crude by solvent extraction and severe hydrotreatment. The polycyclic aromatic content (PCA) of the extracts was determined by dimethyl sulphoxide extraction and ranged from 3.7-9.2% w/w. The five extracts were evaluated for their potential to induce cutaneous and systemic neoplasia in female mice derived from Carworth Farm No 1 strain (CF1). The test substances were applied undilute...

  4. Aromatic compounds from three Brazilian Lauraceae species

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Nunomura, Sergio Massayoshi [Instituto Nacional de Pesquisa da Amazonia (INPA), Manaus, AM (Brazil). Dept. de Produtos Naturais; Yoshida, Massayoshi [Centro de Biotecnologia da Amazonia, Manaus, AM (Brazil)

    2010-07-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  5. Aromatic compounds from three Brazilian Lauraceae species

    International Nuclear Information System (INIS)

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  6. Decarboxylative and direct functionalisations of aromatic compounds

    OpenAIRE

    Seo, Sangwon

    2014-01-01

    Aromatic rings are privileged structures found in a diverse range of natural and synthetic compounds, thus synthetic methods for their functionalisations are important in organic synthesis. Despite significant advancements made, especially in the field of transition metal catalysis, work still continues for the development of milder, more efficient, and more atom economical reactions. We describe here our efforts towards the development of decarboxylative/direct C(aryl)–N and C(aryl)–C bond f...

  7. AN AROMATIC COMPOUND from CENTAUREA PTOSIMOPAPPOIDES

    OpenAIRE

    A. ULUBELEN, S. ÖKSÜZ

    2015-01-01

    Centaurea ptosimopappoides was previously investigated by our groupand the presence of two new triterpenes were reported. The rare occurrence ofthis type compounds in the plants prompted us to further investigation of Centaureaptosimopappoides. In this work we report the isolation and structure determinationof an aromatic glycoside which was found in the genus Centaureafor the first time. The structure of the compound was determined by spectralmethods.Key words: Centaurea ptosimopappoides; Co...

  8. Synthetic fuel aromaticity and staged combustion

    Energy Technology Data Exchange (ETDEWEB)

    Longanbach, J. R.; Chan, L. K.; Levy, A.

    1982-11-15

    Samples of middle and heavy SRC-II distillates were distilled into 50 C boiling point range fractions. These were characterized by measurements of their molecular weight, elemental analysis and basic nitrogen content and calculation of average molecular structures. The structures typically consisted of 1 to 3 aromatic rings fused to alicyclic rings with short, 1 to 3 carbon aliphatic side chains. The lower boiling fractions contained significant amounts (1 atom/molecule) of oxygen while the heavier fractions contained so few heteroatoms that they were essentially hydrocarbons. Laboratory scale oxidative-pyrolysis experiments were carried out at pyrolysis temperatures of 500 to 1100 C and oxygen concentrations from 0 to 100 percent of stoichiometry. Analysis of liquid products, collected in condensers cooled with liquid nitrogen showed that aromatization is a major reaction in the absence of oxygen. The oxygen-containing materials (phenolics) seem to be more resistant to thermal pyrolysis than unsubstituted aromatics. Nitrogen converts from basic to nonbasic forms at about 500 C. The nonbasic nitrogen is more stable and survives up to 700 C after which it is slowly removed. A recently constructed 50,000 Btu/hr staged combustor was used to study the chemistry of the nitrogen and aromatics. SRC II combustion was studied under fuel-rich, first-stage conditions at air/fuel ratios from 0.6 to 1.0 times stoichiometric. The chemistry of the fuel during combustion calls for further investigation in order to examine the mechanism by which HCN is evolved as a common intermediate for the formation of the nitrogen-containing gaseous combustion products. 25 references, 45 figures, 25 tables.

  9. Transformations of aromatic hydrocarbons over zeolites

    Czech Academy of Sciences Publication Activity Database

    Voláková, Martina; Žilková, Naděžda; Čejka, Jiří

    2008-01-01

    Roč. 34, 5-7 (2008), s. 439-454. ISSN 0922-6168 R&D Projects: GA ČR GA203/05/0197; GA AV ČR 1QS400400560; GA AV ČR KJB4040402 Institutional research plan: CEZ:AV0Z40400503 Keywords : aromatic hydrocarbons * zeolites * alkylation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.514, year: 2008

  10. ANTIEMETIC ACTIVITY OF SOME AROMATIC PLANTS

    OpenAIRE

    Hasan MuhammadMohtasheemul; Ahmed Salman; Ahmed Ziauddin; Azhar Iqbal

    2012-01-01

    Current study was conducted to explore the antiemetic activity of ten aromatic medicinal plants viz., Carissa carandus L. (fruits), Chichorium intybus L (flowers), Cinnamum tamala L (leaves), Curcuma caesia Roxb (rhizomes), Lallemantia royleana Benth (leaves), Matricaria chamomila L (flowers), Piper longum L (fruits), Piper methysticum G. Forst (fruits), Piper nigrum Linn. (fruits) and Syzygium aromaticum (Linn.) Merr. & Perry (flowering buds) was studied using chick emetic model. The ethan...

  11. Spectroscopic Characterisation of Novel Polycyclic Aromatic Polymers

    OpenAIRE

    O'Neill, Luke; Lynch, Patrick; McNamara, Mary; Byrne, Hugh

    2007-01-01

    A series of novel polyphenylenevinylene (PPV) derivative polymers were studied by absorption and photoluminescence spectroscopies. The effect of the sequential introduction of polycyclic aromatic ring substituents into the delocalized backbone was examined with relation to hypsochromatic and bathochromatic shifting. While the replacement of the phenyl units by naphthyl units results in a substantial hypsochromic shift of both the absorption and emission spectra, their subsequent substitution ...

  12. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  13. Uranium nucleophilic carbene complexes

    International Nuclear Information System (INIS)

    The only stable f-metal carbene complexes (excluding NHC) metals f present R2C2- groups having one or two phosphorus atoms in the central carbon in alpha position. The objective of this work was to develop the chemistry of carbenes for uranium (metal 5f) with the di-anion C{Ph2P(=S)}22- (SCS2-) to extend the organometallic chemistry of this element in its various oxidation states (+3-+6), and to reveal the influence of the 5f orbitals on the nature and reactivity of the double bond C=U. We first isolated the reactants M(SCHS) (M = Li and K) and demonstrated the role of the cation M+ on the evolution of the di-anion M2SCS (M = Li, K, Tl) which is transformed into LiSCHS in THF or into product of intramolecular cyclization K2[C(PhPS)2(C6H4)]. We have developed the necessary conditions mono-, bis- and tris-carbene directly from the di-anion SCS2- and UCl4, as the precursor used in uranium chemistry. The protonolysis reactions of amides compounds (U-NEt2) by the neutral ligand SCH2S were also studied. The compounds [Li(THF)]2[U(SCS)Cl3] and [U(SCS)Cl2(THF)2] were then used to prepare a variety of cyclopentadienyl and mono-cyclo-octa-tetra-enyliques uranium(IV) carbene compounds of the DFT analysis of compounds [M(SCS)Cl2(py)2] and [M(Cp)2(SCS)] (M = U, Zr) reveals the strong polarization of the M=C double bond, provides information on the nature of the σ and π interactions in this binding, and shows the important role of f orbitals. The influence of ancillary ligands on the M=C bond is revealed by examining the effects of replacing Cl- ligands and pyridine by C5H5- groups. Mulliken and NBO analyzes show that U=C bond, unlike the Zr=C bond, is not affected by the change in environment of the metal center. While the oxidation tests of carbene complexes of U(IV) were disappointing, the first carbene complex of uranium (VI), [UO2(SCS)(THF)2], was isolated with the uranyl ion UO22+. The reactions of compounds UO2X2 (X = I, OTf) with anions SCS2- and SCHS- provide the first notable developments in the organometallic chemistry of the uranyl ion. DFT studies show the essentially ionic binding U(VI)-R and U(VI)=C and the small contribution of 5f orbitals covalently. (author)

  14. Facile Synthesis of New Aromatic Polyamides Based on 1,2-Dihydro-2-(4-carboxylphenyl)-4-[4-(4-carboxyl- phenoxy)-3-methylphenyl]phthalazin-1-one

    Institute of Scientific and Technical Information of China (English)

    程琳; 应磊; 杨小玲; 蹇锡高

    2005-01-01

    A new monomer diacid, 1,2-dihydro-2-(4-carboxylphenyl)-4-[4-(4-carboxylphenoxy)-3-methylphenyl]phtha-lazin-1-one (3), was synthesized through the aromatic nucleophilic substitution reaction of a readily available unsymmetrical phthalazinone 1 bisphenol-like with p-chlorobenzonitrile in the presence of potassium carbonate in N,N-dimethylacetamide and alkaline hydrolysis. The diacid could be directly polymerized with various aromatic diamines 4a-4e using triphenyl phosphite and pyridine as condensing agents to give five new aromatic poly(ether amide)s 5a-5e containing the kink non-coplanar heterocyclic units with inherent viscosities of 1.30-1.54 dL/g.The polymers were readily soluble in a variety of solvents such as N,N-dimethylformamide (DMF), N,N-dimethyl-acetamide (DMA), dimethylsulfoxide (DMSO), N-methyl-2-pyrrolidinone (NMP), and even in m-cresol and pyridine (Py). The transparent, flexible and tough films could be formed by solution casting. The glass transition tem-peratures Tg were in the range of 286-317℃.

  15. Analog Computation by DNA Strand Displacement Circuits.

    Science.gov (United States)

    Song, Tianqi; Garg, Sudhanshu; Mokhtar, Reem; Bui, Hieu; Reif, John

    2016-08-19

    DNA circuits have been widely used to develop biological computing devices because of their high programmability and versatility. Here, we propose an architecture for the systematic construction of DNA circuits for analog computation based on DNA strand displacement. The elementary gates in our architecture include addition, subtraction, and multiplication gates. The input and output of these gates are analog, which means that they are directly represented by the concentrations of the input and output DNA strands, respectively, without requiring a threshold for converting to Boolean signals. We provide detailed domain designs and kinetic simulations of the gates to demonstrate their expected performance. On the basis of these gates, we describe how DNA circuits to compute polynomial functions of inputs can be built. Using Taylor Series and Newton Iteration methods, functions beyond the scope of polynomials can also be computed by DNA circuits built upon our architecture. PMID:27363950

  16. Axial flow positive displacement worm compressor

    Science.gov (United States)

    Murrow, Kurt David (Inventor); Giffin, Rollin George (Inventor); Fakunle, Oladapo (Inventor)

    2010-01-01

    An axial flow positive displacement compressor has an inlet axially spaced apart and upstream from an outlet. Inner and outer bodies have offset inner and outer axes extend from the inlet to the outlet through first and second sections of a compressor assembly in serial downstream flow relationship. At least one of the bodies is rotatable about its axis. The inner and outer bodies have intermeshed inner and outer helical blades wound about the inner and outer axes respectively. The inner and outer helical blades extend radially outwardly and inwardly respectively. The helical blades have first and second twist slopes in the first and second sections respectively. The first twist slopes are less than the second twist slopes. An engine including the compressor has in downstream serial flow relationship from the compressor a combustor and a high pressure turbine drivingly connected to the compressor by a high pressure shaft.

  17. Personal Exposure in Displacement Ventilated Rooms

    DEFF Research Database (Denmark)

    Brohus, Henrik; Nielsen, Peter Vilhelm

    1996-01-01

    Personal exposure in a displacement ventilated room is examined. The stratified flow and the considerable concentration gradients necessitate an improvement of the widely used fully mixing compartmental approach. The exposure of a seated and a standing person in proportion to the stratification...... height is examined by means of full-scale measurements. A breathing thermal manikin is used to simulate a person. It is found that the flow in the boundary layer around a person is able to a great extent to entrain and transport air from below the breathing zone. In the case of non-passive, heated...... contaminant sources, this entrainment improves the indoor air quality. Measurements of exposure due to a passive contaminant source show a significant dependence on the flow field as well as on the contaminant source location. Poor system performance is found in the case of a passive contaminant released in...

  18. Displaced fracture through the anterior atlantal synchondrosis

    Energy Technology Data Exchange (ETDEWEB)

    Thakar, Chrishan; Allibone, James [Royal National Orthopaedic Hospital NHS Trust, Department of Spinal Deformity, Stanmore, Middlesex (United Kingdom); Harish, Srinivasan [Royal National Orthopaedic Hospital NHS Trust, Department of Radiology, Stanmore, Middlesex (United Kingdom); Saifuddin, Asif [Royal National Orthopaedic Hospital NHS Trust, Department of Radiology, Stanmore, Middlesex (United Kingdom); University College, The Institute of Orthopaedics and Musculoskeletal Sciences, London (United Kingdom)

    2005-09-01

    In the acute setting, accurate radiological interpretation of paediatric cervical spine trauma can be difficult due to a combination of normal variants and presence of multiple synchondroses. We present a rare case of a fracture through the anterior atlantal synchondrosis in a paediatric spine. A five-year-old boy, who fell backwards onto the top of his head while swinging across on a monkey bar frame, presented with neck pain, cervical muscle spasm and decreased right lateral rotation and extension of his neck. Computed tomography showed a displaced diastatic fracture through right anterior atlantal synchondrosis. There are only 12 cases of paediatric C1 fractures reported in the world literature. The importance of considering this diagnosis in the appropriate clinical setting, and the normal variants in the paediatric atlas that can cause diagnostic dilemma to the interpreting radiologist, are discussed in this case report. (orig.)

  19. Micromachined Tunneling Displacement Transducers for Physical Sensors

    Science.gov (United States)

    Kenny, T. W.; Kaiser, W. J.; Podosek, J. A.; Rockstad, H. K.; Reynolds, J. K.; Vote, E. C.

    1993-01-01

    We have designed and constructed a series of tunneling sensors which take advantage of the extreme position sensitivity of electron tunneling. In these sensors, a tunneling displacement transducer, based on scanning tunneling microscopy principles, is used to detect the signal-induced motion of a sensor element. Through the use of high-resonant frequency mechanical elements for the transducer, sensors may be constructed which offer wide bandwidth, and are robust and easily operated. Silicon micromachining may be used to fabricate the transducer elements, allowing integration of sensor and control electronics. Examples of tunneling accelerometers and infrared detectors will be discussed. In each case, the use of the tunneling transducer allows miniaturization of the sensor as well as enhancement of the sensor performance.

  20. Relativistic Lagrangian displacement field and tensor perturbations

    CERN Document Server

    Rampf, Cornelius

    2014-01-01

    We investigate the purely spatial Lagrangian coordinate transformation from the Lagrangian to the fundamental Eulerian frame. We demonstrate three techniques for extracting the relativistic displacement field from a given solution in the Lagrangian frame. These techniques are (a) from defining a local set of Eulerian coordinates embedded into the Lagrangian frame; (b) from performing a specific gauge transformation; and (c) from a fully non-perturbative approach based on the ADM split. The latter approach shows that this decomposition is not tied to a specific perturbative formulation for the solution of the Einstein equations. Rather, it can be defined at the level of the non-perturbative coordinate change from the Lagrangian to the Eulerian description. Studying such different techniques is useful because it allows us to compare and develop further the various approximation techniques available in the Lagrangian formulation. We find that one has to solve for gravitational waves in the relativistic analysis,...

  1. Superconducting inductive displacement detection of a microcantilever

    Energy Technology Data Exchange (ETDEWEB)

    Vinante, A., E-mail: anvinante@fbk.eu [Istituto di Fotonica e Nanotecnologie, CNR - Fondazione Bruno Kessler, I-38123 Povo, Trento (Italy)

    2014-07-21

    We demonstrate a superconducting inductive technique to measure the displacement of a micromechanical resonator. In our scheme, a type I superconducting microsphere is attached to the free end of a microcantilever and approached to the loop of a dc Superconducting Quantum Interference Device (SQUID) microsusceptometer. A local magnetic field as low as 100 μT, generated by a field coil concentric to the SQUID, enables detection of the cantilever thermomechanical noise at 4.2 K. The magnetomechanical coupling and the magnetic spring are in good agreement with image method calculations assuming pure Meissner effect. These measurements are relevant to recent proposals of quantum magnetomechanics experiments based on levitating superconducting microparticles.

  2. Searching for displaced Higgs boson decays

    Science.gov (United States)

    Csáki, Csaba; Kuflik, Eric; Lombardo, Salvator; Slone, Oren

    2015-10-01

    We study a simplified model of the Standard Model (SM) Higgs boson decaying to a degenerate pair of scalars which travel a macroscopic distance before decaying to SM particles. This is the leading signal for many well-motivated solutions to the hierarchy problem that do not propose additional light colored particles. Bounds for displaced Higgs boson decays below 10 cm are found by recasting existing tracker searches from Run I. New tracker search strategies, sensitive to the characteristics of these models and similar decays, are proposed with sensitivities projected for Run II at √{s }=13 TeV . With 20 fb-1 of data, we find that Higgs branching ratios down to 2 ×1 0-4 can be probed for centimeter decay lengths.

  3. Intrinsic mean-square displacements in proteins

    Science.gov (United States)

    Vural, Derya; Glyde, Henry R.

    2012-07-01

    The thermal mean-square displacement (MSD) of hydrogen in proteins and its associated hydration water is measured by neutron scattering experiments and used an indicator of protein function. The observed MSD as currently determined depends on the energy resolution width of the neutron scattering instrument employed. We propose a method for obtaining the intrinsic MSD of H in the proteins, one that is independent of the instrument resolution width. The intrinsic MSD is defined as the infinite time value of that appears in the Debye-Waller factor. The method consists of fitting a model to the resolution broadened elastic incoherent structure factor or to the resolution dependent MSD. The model contains the intrinsic MSD, the instrument resolution width, and a rate constant characterizing the motions of H in the protein. The method is illustrated by obtaining the intrinsic MSD of heparan sulphate (HS-0.4), ribonuclease A, and staphysloccal nuclase (SNase) from data in the literature.

  4. Intrinsic Mean Square Displacements in Proteins

    CERN Document Server

    Vural, Derya

    2012-01-01

    The thermal mean square displacement (MSD) of hydrogen in proteins and its associated hydration water is measured by neutron scattering experiments and used an indicator of protein function. The observed MSD as currently determined depends on the energy resolution width of the neutron scattering instrument employed. We propose a method for obtaining the intrinsic MSD of H in the proteins, one that is independent of the instrument resolution width. The intrinsic MSD is defined as the infinite time value of that appears in the Debye-Waller factor. The method consists of fitting a model to the resolution broadened elastic incoherent structure factor or to the resolution dependent MSD. The model contains the intrinsic MSD, the instrument resolution width and a rate constant characterizing the motions of H in the protein. The method is illustrated by obtaining the intrinsic MSD of heparan sulphate (HS-0.4), Ribonuclease A and Staphysloccal Nuclase (SNase) from data in the literature.

  5. Artificial Neural Network for Displacement Vectors Determination

    Directory of Open Access Journals (Sweden)

    P. Bohmann

    1997-09-01

    Full Text Available An artificial neural network (NN for displacement vectors (DV determination is presented in this paper. DV are computed in areas which are essential for image analysis and computer vision, in areas where are edges, lines, corners etc. These special features are found by edges operators with the following filtration. The filtration is performed by a threshold function. The next step is DV computation by 2D Hamming artificial neural network. A method of DV computation is based on the full search block matching algorithms. The pre-processing (edges finding is the reason why the correlation function is very simple, the process of DV determination needs less computation and the structure of the NN is simpler.

  6. Relativistic Lagrangian displacement field and tensor perturbations

    Science.gov (United States)

    Rampf, Cornelius; Wiegand, Alexander

    2014-12-01

    We investigate the purely spatial Lagrangian coordinate transformation from the Lagrangian to the basic Eulerian frame. We demonstrate three techniques for extracting the relativistic displacement field from a given solution in the Lagrangian frame. These techniques are (a) from defining a local set of Eulerian coordinates embedded into the Lagrangian frame; (b) from performing a specific gauge transformation; and (c) from a fully nonperturbative approach based on the Arnowitt-Deser-Misner (ADM) split. The latter approach shows that this decomposition is not tied to a specific perturbative formulation for the solution of the Einstein equations. Rather, it can be defined at the level of the nonperturbative coordinate change from the Lagrangian to the Eulerian description. Studying such different techniques is useful because it allows us to compare and develop further the various approximation techniques available in the Lagrangian formulation. We find that one has to solve the gravitational wave equation in the relativistic analysis, otherwise the corresponding Newtonian limit will necessarily contain spurious nonpropagating tensor artifacts at second order in the Eulerian frame. We also derive the magnetic part of the Weyl tensor in the Lagrangian frame, and find that it is not only excited by gravitational waves but also by tensor perturbations which are induced through the nonlinear frame dragging. We apply our findings to calculate for the first time the relativistic displacement field, up to second order, for a Λ CDM Universe in the presence of a local primordial non-Gaussian component. Finally, we also comment on recent claims about whether mass conservation in the Lagrangian frame is violated.

  7. Systematic review of mini-implant displacement under orthodontic loading

    Institute of Scientific and Technical Information of China (English)

    Manuel Nienkemper; Jörg Handschel; Dieter Drescher

    2014-01-01

    A growing number of studies have reported that mini-implants do not remain in exactly the same position during treatment, although they remain stable. The aim of this review was to collect data regarding primary displacement immediately straight after loading and secondary displacement over time. A systematic review was performed to investigate primary and secondary displacement. The amount and type of displacement were recorded. A total of 27 studies were included. Sixteen in vitro studies or studies using finite element analysis addressed primary displacement, and nine clinical studies and two animal studies addressed secondary displacement. Significant primary displacement was detected (6.4-24.4 mm) for relevant orthodontic forces (0.5-2.5 N). The mean secondary displacement ranged from 0 to 2.7 mm for entire mini-implants. The maximum values for each clinical study ranged from 1.0 to 4.1 mm for the head, 1.0 to 1.5 for the body and 1.0 to 1.92 mm for the tail part. The most frequent type of movement was controlled tipping or bodily movement. Primary displacement did not reach a clinically significant level. However, clinicians can expect relevant secondary displacement in the direction of force. Consequently, decentralized insertion within the inter-radicular space, away from force direction, might be favourable. More evidence is needed to provide quantitative recommendations.

  8. Solid-phase Synthesis of Combinatorial 2,4-Disubstituted-1,3,5-Triazine via Amine Nucleophilic Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Sung Won [KIST Gangneung Institute, Gangneung (Korea, Republic of); Ham, Jungyeob [Gangneung-Wonju National University, Gangneung (Korea, Republic of); Chang, Young-Tae [National University of Singapore, Singapore (Singapore); Lee, Jae Wook [University of Science and Technology, Daejon (Korea, Republic of)

    2015-01-15

    In combinatorial chemistry, solid-phase synthesis is a popular approach formass production of small molecules. Compared to solution-phase synthesis, it is easy to prepare and purify a large number of heterocyclic small molecules via solid-phase chemistry; the overall reaction time is decreased as well. 1,3,5-Triazine is a nitrogen-containing heterocyclic aromatic scaffold that was shown to be a druggable scaffold in recent studies. These structures have been reported as anticancer, antimicrobial, and antiretroviral compounds, as CDKs and p38 MAP kinase inhibitors, as estrogen receptor modulators, and as inosine monophosphate dehydrogenase inhibitors. we designed and synthesized disubstituted triazine compounds as an analog of disubstituted pyrimidine compounds. These disubstituted triazine compounds possess a linear structure which may have biological activity similar to that of disubstituted pyrimidine. Here we report the solid-phase synthesis of disubstituted triazine compounds.

  9. Solid-phase Synthesis of Combinatorial 2,4-Disubstituted-1,3,5-Triazine via Amine Nucleophilic Reaction

    International Nuclear Information System (INIS)

    In combinatorial chemistry, solid-phase synthesis is a popular approach formass production of small molecules. Compared to solution-phase synthesis, it is easy to prepare and purify a large number of heterocyclic small molecules via solid-phase chemistry; the overall reaction time is decreased as well. 1,3,5-Triazine is a nitrogen-containing heterocyclic aromatic scaffold that was shown to be a druggable scaffold in recent studies. These structures have been reported as anticancer, antimicrobial, and antiretroviral compounds, as CDKs and p38 MAP kinase inhibitors, as estrogen receptor modulators, and as inosine monophosphate dehydrogenase inhibitors. we designed and synthesized disubstituted triazine compounds as an analog of disubstituted pyrimidine compounds. These disubstituted triazine compounds possess a linear structure which may have biological activity similar to that of disubstituted pyrimidine. Here we report the solid-phase synthesis of disubstituted triazine compounds

  10. Use of fluorine-18 free of carrier for the synthesis of 2-[18 F]-fluoro-2-deoxy-d-glucose by nucleophilic substitution

    International Nuclear Information System (INIS)

    Preliminary studies on the synthesis of 2 - [18 F]-fluoro-2-deoxy-d-glucose (2 - [18 F]-FDG) were carried out by means of the nucleophilic method proposed by K. Hamacher and the 18 F obtained in the Nuclear Reactor TRIGA Mark III of the Nuclear Center of Mexico. For the control of radiochemical quality it was used the chromatography technique in paper and silica gel with 4 solvent systems. The identification of the marked species with 18 F was carried out by means of comparison of its Rf with the Rf of the obtained not radioactive species, using the same synthesis method. (Author)

  11. Substituted quinolinones. Part 17: Some nucleophilic reactions with 4-hydroxy-1-methyl-3-[(2-oxo-2-chromen-3-yl)carbonyl]quinolin-2(1)-one

    Indian Academy of Sciences (India)

    Mohamed Abass; El-Hussain A Mohamed; Aisha S Mayas; Akram H Ibrahim

    2012-09-01

    The reactivity of 4-hydroxy-1-methyl-3-[(2-oxo-2-chromen-3-yl)carbonyl]-quinolin-2(1)-one (2), as a new asymmetric diheterocyclic ketone, towards different nucleophilic reagents, was examined. The reaction of the ketone 2 with hydrazine led to pyrazolinone 5, and excess of hydrazine pyrazolinopyrazole 7 was obtained. Treatment of the ketone 2 with 2,2-dimethoxyethanamine gave pyrrolocoumarin 12, while cyanoguanidine afforded pyrimidinone 15. Under PTC conditions, the ketone 2 was reacted with chloroacetonitrile, diethyl malonate, ethyl cyanoacetate, malononitrile, and cyanoacetamide to give coumarinyl furoquinoline 18, pyranoquinolines 20a, 20b, 21, and benzonaphthyridine 22, respectively.

  12. Aminocarbonylation of 4-iodo-1H-imidazoles with an amino acid amide nucleophile: synthesis of constrained H-Phe-Phe-NH2 analogues.

    Science.gov (United States)

    Skogh, Anna; Fransson, Rebecca; Sköld, Christian; Larhed, Mats; Sandström, Anja

    2013-12-01

    A simple and an expedient process to prepare 5-aryl-1-benzyl-1H-imidazole-4-carboxamides by the aminocarbonylation of 5-aryl-4-iodo-1H-imidazoles using ex situ generation of CO from Mo(CO)6 with an amino acid amide nucleophile is reported. Furthermore, a microwave-assisted protocol for the direct C-5 arylation of 1-benzyl-1H-imidazole and a regioselective C-4 iodination method to acquire starting material for our aminocarbonylation are presented. The method can be used to prepare imidazole based peptidomimetics, herein exemplified by the synthesis of constrained H-Phe-Phe-NH2 analogues. PMID:24171628

  13. Asymmetric Ring-Opening of Cyclopropyl Ketones with Thiol, Alcohol, and Carboxylic Acid Nucleophiles Catalyzed by a Chiral N,N'-Dioxide-Scandium(III) Complex.

    Science.gov (United States)

    Xia, Yong; Lin, Lili; Chang, Fenzhen; Fu, Xuan; Liu, Xiaohua; Feng, Xiaoming

    2015-11-01

    A highly efficient asymmetric ring-opening reaction of cyclopropyl ketones with a broad range of thiols, alcohols and carboxylic acids has been first realized by using a chiral N,N'-dioxide-scandium(III) complex as catalyst. The corresponding sulfides, ethers, and esters were obtained in up to 99% yield and 95% ee. This is also the first example of one catalytic system working for the ring-opening reaction of donor-acceptor cyclopropanes with three different nucleophiles, let alone in an asymmetric version. PMID:26398505

  14. The concerted action of a positive charge and hydrogen bonds dynamically regulates the pKa of the nucleophilic cysteine in the NrdH-redoxin family

    OpenAIRE

    Van Laer, Koen; Oliveira, Margarida; Wahni, Khadija; Messens, Joris

    2013-01-01

    NrdH-redoxins shuffle electrons from the NADPH pool in the cell to Class Ib ribonucleotide reductases, which in turn provide the precursors for DNA replication and repair. NrdH-redoxins have a CVQC active site motif and belong to the thioredoxin-fold protein family. As for other thioredoxin-fold proteins, the pKa of the nucleophilic cysteine of NrdH-redoxins is of particular interest since it affects the catalytic reaction rate of the enzymes. Recently, the pKa value of this cysteine in Coryn...

  15. Nucleophilic Participation in the Solvolyses of (Arylthio)methyl Chlorides and Derivatives: Application of Simple and Extended Forms of the Grunwald-Winstein Equations

    OpenAIRE

    Kevill, Dennis N.; Park, Young Hoon; Park, Byoung-Chun; D’Souza, Malcolm J.

    2012-01-01

    The specific rates of solvolysis of chloromethyl phenyl sulfide [(phenylthio)methyl chloride] and its p-chloro-derivative have been determined at 0.0 °C in a wide range of hydroxylic solvents, including several containing a fluroalcohol. Treatment in terms of a two-term Grunwald-Winstein equation, incorporating terms based on solvent ionizing power (YCl) and solvent nucleophilicity (NT) suggest a mechanism similar to that for the solvolyses of tert-butyl chloride, involving in the rate-determ...

  16. Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: Assessing the dual role of the nucleophilic co-catalysts

    KAUST Repository

    D'Elia, Valerio

    2014-07-23

    A mechanistic study on the synthesis of propylene carbonate (PC) from CO2 and propylene oxide (PO) catalyzed by NbCl5 and organic nucleophiles such as 4-dimethylaminopyridine (DMAP) or tetra-n-butylammonium bromide (NBu4Br) is reported. A combination of in situ spectroscopic techniques and kinetic studies has been used to provide detailed insight into the reaction mechanism, the formation of intermediates, and interactions between the reaction partners. The results of DFT calculations support the experimental observations and allow us to propose a mechanism for this reaction. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Performance study of magnesium-sulfur battery using a graphene based sulfur composite cathode electrode and a non-nucleophilic Mg electrolyte

    Science.gov (United States)

    Vinayan, B. P.; Zhao-Karger, Zhirong; Diemant, Thomas; Chakravadhanula, Venkata Sai Kiran; Schwarzburger, Nele I.; Cambaz, Musa Ali; Behm, R. Jürgen; Kübel, Christian; Fichtner, Maximilian

    2016-02-01

    Here we report for the first time the development of a Mg rechargeable battery using a graphene-sulfur nanocomposite as the cathode, a Mg-carbon composite as the anode and a non-nucleophilic Mg based complex in tetraglyme solvent as the electrolyte. The graphene-sulfur nanocomposites are prepared through a new pathway by the combination of thermal and chemical precipitation methods. The Mg/S cell delivers a higher reversible capacity (448 mA h g-1), a longer cyclability (236 mA h g-1 at the end of the 50th cycle) and a better rate capability than previously described cells. The dissolution of Mg polysulfides to the anode side was studied by X-ray photoelectron spectroscopy. The use of a graphene-sulfur composite cathode electrode, with the properties of a high surface area, a porous morphology, a very good electronic conductivity and the presence of oxygen functional groups, along with a non-nucleophilic Mg electrolyte gives an improved battery performance.Here we report for the first time the development of a Mg rechargeable battery using a graphene-sulfur nanocomposite as the cathode, a Mg-carbon composite as the anode and a non-nucleophilic Mg based complex in tetraglyme solvent as the electrolyte. The graphene-sulfur nanocomposites are prepared through a new pathway by the combination of thermal and chemical precipitation methods. The Mg/S cell delivers a higher reversible capacity (448 mA h g-1), a longer cyclability (236 mA h g-1 at the end of the 50th cycle) and a better rate capability than previously described cells. The dissolution of Mg polysulfides to the anode side was studied by X-ray photoelectron spectroscopy. The use of a graphene-sulfur composite cathode electrode, with the properties of a high surface area, a porous morphology, a very good electronic conductivity and the presence of oxygen functional groups, along with a non-nucleophilic Mg electrolyte gives an improved battery performance. Electronic supplementary information (ESI) available

  18. On Virtual Displacement and Virtual Work in Lagrangian Dynamics

    CERN Document Server

    Ray, S; Ray, Subhankar

    2006-01-01

    The confusion and ambiguity encountered by students, in understanding virtual displacement and virtual work, is discussed in this article. A definition of virtual displacement is presented that allows one to express them explicitly for holonomic (velocity independent), non-holonomic (velocity dependent), scleronomous (time independent) and rheonomous (time dependent) constraints. It is observed that for holonomic, scleronomous constraints, the virtual displacements are the displacements allowed by the constraints. However, this is not so for a general class of constraints. For simple physical systems, it is shown that, the work done by the constraint forces on virtual displacements is zero. This motivates Lagrange's extension of d'Alembert's principle to system of particles in constrained motion. However a similar zero work principle does not hold for the allowed displacements. It is also demonstrated that d'Alembert's principle of zero virtual work is necessary for the solvability of a constrained mechanical...

  19. Foil-strain-gauge-based displacement transducers and calibration device for displacement transducers

    International Nuclear Information System (INIS)

    Materials testing performed on various specimen materials with different techniques often reveal measuring method problems which cannot be solved by using commercial devices which are either too expensive or else are non-existent altogether. The institute remedied this situation by developing a number of laboratory devices of their own make two of which, i.e. a special displacement transducer and a device for the calibration and characteristics determination of transducers, are demonstrated in this report. (orig./HP)

  20. Displacement desorption test of coalbed methane and its mechanism exploring

    Institute of Scientific and Technical Information of China (English)

    ZHANG Suian; HUO Yongzhong; YE Jianping; TANG Shuheng; MA Dongmin

    2005-01-01

    Through the test of CH4 displaced by CO2 using the coal sample as the adsorbent, this paper has found the coalbed methane (CBM) displacement desorption phenomenon under the natural conditions and CBM mining conditions. With the help of the adsorption theory of the modern physical chemistry and interfacial chemistry, the CBM competitive adsorption and displacement desorption mechanism are intensively discussed, and a new path for studying the CBM desorption mechanism in the CBM exploitation process is explored.

  1. Quantum Phonon Optics: Coherent and Squeezed Atomic Displacements

    OpenAIRE

    Hu, X; Nori, Franco

    1996-01-01

    In this paper we investigate coherent and squeezed quantum states of phonons. The latter allow the possibility of modulating the quantum fluctuations of atomic displacements below the zero-point quantum noise level of coherent states. The expectation values and quantum fluctuations of both the atomic displacement and the lattice amplitude operators are calculated in these states---in some cases analytically. We also study the possibility of squeezing quantum noise in the atomic displacement u...

  2. Collective Displacement of Modular Robots Using Self-Reconfiguration

    OpenAIRE

    Elian, Carrillo; Duhaut, Dominique

    2007-01-01

    Bioinspiration and Robotics Walking and Climbing Robots, Book edited by: Maki K. Habib , ISBN: 978-3-902613-15-8, Publisher: I-Tech Education and Publishing, Austria, Collective displacement is a very useful behaviour for living creatures. This behaviour can appear in a flock of birds, a school of fish, or a swarm of insects. Flocking behaviour is a common demonstration of the power of simple rules in collective displacement emergence by (Reynolds, 2007). The study of the displacement of a...

  3. A homogeneous nucleic acid hybridization assay based on strand displacement.

    OpenAIRE

    Vary, C P

    1987-01-01

    A homogeneous nucleic acid hybridization assay which is conducted in solution and requires no separation steps is described. The assay is based on the concept of strand displacement. In the strand displacement assay, an RNA "signal strand" is hybridized within a larger DNA strand termed the "probe strand", which is, in turn, complementary to the target nucleic acid of interest. Hybridization of the target nucleic acid with the probe strand ultimately results in displacement of the RNA signal ...

  4. Control of DNA Strand Displacement Kinetics Using Toehold Exchange

    OpenAIRE

    Zhang, David Yu; Winfree, Erik

    2009-01-01

    DNA is increasingly being used as the engineering material of choice for the construction of nanoscale circuits, structures, and motors. Many of these enzyme-free constructions function by DNA strand displacement reactions. The kinetics of strand displacement can be modulated by toeholds, short single-stranded segments of DNA that colocalize reactant DNA molecules. Recently, the toehold exchange process was introduced as a method for designing fast and reversible strand displacement reactions...

  5. Cleaning and Dewatering Fine Coal using Hydrophobic Displacement

    OpenAIRE

    Smith, Kara E.

    2008-01-01

    A new processing technique, known as hydrophobic displacement, was explored as a means of simultaneously removing both mineral matter and surface moisture from coal in a single process. Previous thermodynamic analysis suggests that coal moisture will be spontaneously displaced by any oil with a contact angle greater than ninety degrees in water. Based on these results, six methods of hydrophobic displacement were evaluated: hand shaking, screening, air classification, centrifugation, filtra...

  6. A Wireless Laser Displacement Sensor Node for Structural Health Monitoring

    OpenAIRE

    Se Woon Choi; Yousok Kim; Jong Moon Kim; Hyo Seon Park

    2013-01-01

    This study describes a wireless laser displacement sensor node that measures displacement as a representative damage index for structural health monitoring (SHM). The proposed measurement system consists of a laser displacement sensor (LDS) and a customized wireless sensor node. Wireless communication is enabled by a sensor node that consists of a sensor module, a code division multiple access (CDMA) communication module, a processor, and a power module. An LDS with a long measurement distanc...

  7. Time-dependent Displaced and Squeezed Number States

    CERN Document Server

    Kim, S P

    2004-01-01

    We generalize the wave functions of the displaced and squeezed number states, found by Nieto, to a time-dependent harmonic oscillator with variable mass and frequency. These time-dependent displaced and squeezed number states are obtained by first squeezing and then displacing the exact number states and are exact solutions of the Schr\\"{o}dinger equation. Further, these wave functions are the time-dependent squeezed harmonic-oscillator wave functions centered at classical trajectories.

  8. In-plane displacement measurement in vortex metrology

    OpenAIRE

    Angel-Toro, Luciano; Sierra-Sosa, Daniel; Tebaldi, Myrian; Bolognini, N??stor

    2013-01-01

    Recently we proposed an alternative method of displacement analysis in vortex metrology, based on the application of the Fourier optics techniques, that is suitable for an intermediate range of displacement measurements ranging below the resolution of speckle photography and above that of the conventional vortex metrology. However, for smaller displacements, we introduce an approach to perform the Fourier analysis from vortex networks. In this work, we present an enhanced method for measuring...

  9. Studying Landslide Displacements in Megamendung (Indonesia Using GPS Survey Method

    Directory of Open Access Journals (Sweden)

    Hasanuddin Z. Abidin

    2004-11-01

    Full Text Available Landslide is one of prominent geohazards that frequently affects Indonesia, especially in the rainy season. It destroys not only environment and property, but usually also causes deaths. Landslide monitoring is therefore very crucial and should be continuously done. One of the methods that can have a contribution in studying landslide phenomena is repeated GPS survey method. This paper presents and discusses the operational performances, constraints and results of GPS surveys conducted in a well known landslide prone area in West Java (Indonesia, namely Megamendung, the hilly region close to Bogor. Three GPS surveys involving 8 GPS points have been conducted, namely on April 2002, May 2003 and May 2004, respectively. The estimated landslide displacements in the area are relatively quite large in the level of a few dm to a few m. Displacements up to about 2-3 m were detected in the April 2002 to May 2003 period, and up to about 3-4 dm in the May 2003 to May 2004 period. In both periods, landslides in general show the northwest direction of displacements. Displacements vary both spatially and temporally. This study also suggested that in order to conclude the existence of real and significant displacements of GPS points, the GPS estimated displacements should be subjected to three types of testing namely: the congruency test on spatial displacements, testing on the agreement between the horizontal distance changes with the predicted direction of landslide displacement, and testing on the consistency of displacement directions on two consecutive periods.

  10. Aromatic plant production on metal contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zheljazkov, Valtcho D. [Mississippi State, Department of Plant and Soil Sciences and North Mississippi Research and Extension Center, 5421 Highway 145 South, Verona, MS 38879 (United States)], E-mail: vj40@pss.msstate.edu; Craker, Lyle E.; Xing Baoshan [Department of Plant and Soil Sciences, 12 Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Nielsen, Niels E. [Plant Nutrition and Soil Fertility Lab, Department of Agricultural Sciences, Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK1871, Copenhagen (Denmark); Wilcox, Andrew [Harper Adams University College, Newport, Shropshire, TF10 8NB (United Kingdom)

    2008-06-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha{sup -1} for Cd, 660 g ha{sup -1} for Pb, 180 g ha{sup -1} for Cu, 350 g ha{sup -1} for Mn, and 205 g ha{sup -1} for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 {mu}m) particles, although there were larger particles (1-5 {mu}m) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil.

  11. Aromatic plant production on metal contaminated soils

    International Nuclear Information System (INIS)

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha-1 for Cd, 660 g ha-1 for Pb, 180 g ha-1 for Cu, 350 g ha-1 for Mn, and 205 g ha-1 for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 μm) particles, although there were larger particles (1-5 μm) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil

  12. Biosynthesis of the Aromatic Amino Acids.

    Science.gov (United States)

    Pittard, James; Yang, Ji

    2008-09-01

    This chapter describes in detail the genes and proteins of Escherichia coli involved in the biosynthesis and transport of the three aromatic amino acids tyrosine, phenylalanine, and tryptophan. It provides a historical perspective on the elaboration of the various reactions of the common pathway converting erythrose-4-phosphate and phosphoenolpyruvate to chorismate and those of the three terminal pathways converting chorismate to phenylalanine, tyrosine, and tryptophan. The regulation of key reactions by feedback inhibition, attenuation, repression, and activation are also discussed. Two regulatory proteins, TrpR (108 amino acids) and TyrR (513 amino acids), play a major role in transcriptional regulation. The TrpR protein functions only as a dimer which, in the presence of tryptophan, represses the expression of trp operon plus four other genes (the TrpR regulon). The TyrR protein, which can function both as a dimer and as a hexamer, regulates the expression of nine genes constituting the TyrR regulon. TyrR can bind each of the three aromatic amino acids and ATP and under their influence can act as a repressor or activator of gene expression. The various domains of this protein involved in binding the aromatic amino acids and ATP, recognizing DNA binding sites, interacting with the alpha subunit of RNA polymerase, and changing from a monomer to a dimer or a hexamer are all described. There is also an analysis of the various strategies which allow TyrR in conjunction with particular amino acids to differentially affect the expression of individual genes of the TyrR regulon. PMID:26443741

  13. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols......, chlorophenols, nitrophenol, chlorobenzenes and aromatic nitrogen-, sulphur- or oxygen-containing heterocyclic compounds (NSO-compounds). Furthermore, a comparison with degradation rates observed for easily degradable organics is also presented. At concentrations below 20-100 μg/l the degradation of the aromatic...

  14. Critical analysis of the local aromaticity concept in polyaromatic hydrocarbons.

    Science.gov (United States)

    Bultinck, Patrick

    2007-01-01

    A large number of local aromaticity indices for the benzenoid rings in polyaromatic hydrocarbons is computed. The results are interpreted, supporting Clar's hypothesis, and mutual correlations are investigated. It is shown that there are good correlations between all indices that strictly allow comparing benzenoid character. Poor correlations are found with NICS. A rationale is offered, yielding the conclusion that NICS and ring current maps follow a fundamentally different path to local aromaticity. In this sense the lack of correlation is not due to a real multidimensional character of aromaticity but rather to confusion and vagueness of the aromaticity concept. PMID:17328438

  15. Aromatic compounds from three Brazilian Lauraceae species

    Directory of Open Access Journals (Sweden)

    Andrea Nastri de Luca Batista

    2010-01-01

    Full Text Available Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of São Paulo State, Ocotea corymbosa (Meins Mez., O. elegans Mez. and Persea pyrifolia Nees & Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia.

  16. Carcinogenic potential of hydrotreated petroleum aromatic extracts.

    Science.gov (United States)

    Doak, S M; Hend, R W; van der Wiel, A; Hunt, P F

    1985-06-01

    Five experimental petroleum extracts were produced from luboil distillates derived from Middle East paraffinic crude by solvent extraction and severe hydrotreatment. The polycyclic aromatic content (PCA) of the extracts was determined by dimethyl sulphoxide extraction and ranged from 3.7-9.2% w/w. The five extracts were evaluated for their potential to induce cutaneous and systemic neoplasia in female mice derived from Carworth Farm No 1 strain (CF1). The test substances were applied undiluted (0.2 ml per application) to the shorn dorsal skin twice weekly for up to 78 weeks, with 48 mice in each treatment group and 96 in the untreated control group; two further groups, each of 48 mice, were similarly treated either with a non-hydrotreated commercial aromatic extract (PCA content, 19.7% w/v) or with a low dose of benzo(a)pyrene (12.5 micrograms/ml acetone). The mice were housed individually in polypropylene cages in specified pathogen free conditions. The incidence of cutaneous and systemic tumours was determined from histological analysis of haematoxylin and eosin stained tissue sections. The results were correlated with the PCA content of the extracts and compared with those from female mice exposed to a non-hydrotreated commercial aromatic extract. Four of the hydrotreated extracts were carcinogenic for murine skin; the two products with the lower PCA contents were less carcinogenic than the products with the higher PCA contents and all were less carcinogenic than the commercial extract. One extract with the lowest PCA content was non-carcinogenic. Thus refining by severe hydrotreatment was an effective method of reducing the carcinogenic potential of petroleum aromatic extracts. Although other physicochemical properties may influence the biological activity of oil products, the PCA content determined by dimethyl sulphoxide extraction may be a useful indicator of the potential of oil products to induce cutaneous tumours in experimental animals. There was no

  17. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T. [Massachusetts Institute of Technology, Cambridge (United States)

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  18. Photoinduced dynamics in protonated aromatic amino acid

    CERN Document Server

    Grégoire, Gilles; Barat, Michel; Fayeton, Jacqueline; Dedonder-Lardeux, Claude; Jouvet, Christophe

    2008-01-01

    UV photoinduced fragmentation of protonated aromatics amino acids have emerged the last few years, coming from a situation where nothing was known to what we think a good understanding of the optical properties. We will mainly focus this review on the tryptophan case. Three groups have mostly done spectroscopic studies and one has mainly been involved in dynamics studies of the excited states in the femtosecond/picosecond range and also in the fragmentation kinetics from nanosecond to millisecond. All these data, along with high level ab initio calculations, have shed light on the role of the different electronic states of the protonated molecules upon the fragmentation mechanisms.

  19. Silicon-Carbon Bond Formation via Nickel-Catalyzed Cross-Coupling of Silicon Nucleophiles with Unactivated Secondary and Tertiary Alkyl Electrophiles.

    Science.gov (United States)

    Chu, Crystal K; Liang, Yufan; Fu, Gregory C

    2016-05-25

    A wide array of cross-coupling methods for the formation of C-C bonds from unactivated alkyl electrophiles have been described in recent years. In contrast, progress in the development of methods for the construction of C-heteroatom bonds has lagged; for example, there have been no reports of metal-catalyzed cross-couplings of unactivated secondary or tertiary alkyl halides with silicon nucleophiles to form C-Si bonds. In this study, we address this challenge, establishing that a simple, commercially available nickel catalyst (NiBr2·diglyme) can achieve couplings of alkyl bromides with nucleophilic silicon reagents under unusually mild conditions (e.g., -20 °C); especially noteworthy is our ability to employ unactivated tertiary alkyl halides as electrophilic coupling partners, which is still relatively uncommon in the field of cross-coupling chemistry. Stereochemical, relative reactivity, and radical-trap studies are consistent with a homolytic pathway for C-X bond cleavage. PMID:27187869

  20. Disruptions and vertical displacement events in JET

    International Nuclear Information System (INIS)

    Major disruptions and vertical displacement events (VDEs) represent a serious problem for the integrity of large devices such as ITER and a reactor. This arises from the localized power deposition on the divertor target and first wall, the production of runaway electrons in the post-disruptive plasma and the substantial forces transmitted to the vacuum vessel by eddy and halo currents. Extensive experiments have been performed in JET to characterize the phenomena associated with disruptions and VDEs and to investigate the underlying physics. In addition, the installation of a disruption feedback stabilization system based on a set of four internal saddle coils driven by high power (3 kA/1.5 kV), high frequency (0-10 kHz) amplifiers has allowed initial experiments on the control of disruptions by suppression of the n = 1 mhd precursor. This system has also been used to study fundamental aspects of the physics of error field induced modes, which is of direct application to ITER (author). 3 refs, 8 figs

  1. The Three Gorges: the unexamined toll of development-induced displacement

    Directory of Open Access Journals (Sweden)

    Martin Stein

    1998-04-01

    Full Text Available In China, the context of forced displacement in its broadest sense centres on four issues: (1 coercive displacement for development; (2 political persecution resulting in controlled displacement; (3 massive labour dislocations; and (4 disaster-induced displacement. This article looks at the role of the state in displacement, focusing on the first of these issues: development-induced displacement.

  2. An Aromatic Inventory of the Local Volume

    CERN Document Server

    Marble, A R; van Zee, L; Dale, D A; Smith, J D T; Gordon, K D; Wu, Y; Lee, J C; Kennicutt, R C; Skillman, E D; Johnson, L C; Block, M; Calzetti, D; Cohen, S A; Lee, H; Schuster, M D

    2010-01-01

    Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (AFE, but also commonly referred to as PAH emission) for a statistically complete sample of star-forming galaxies in the local volume. The photometric methodology involved is calibrated and demonstrated to recover the aromatic fraction of the IRAC 8 micron flux with a standard deviation of 6% for a training set of 40 SINGS galaxies (ranging from stellar to dust dominated) with both suitable mid-infrared Spitzer IRS spectra and equivalent photometry. A potential factor of two improvement could be realized with suitable 5.5 and 10 micron photometry, such as what may be provided in the future by JWST. The resulting technique is then applied to mid-infrared photometry for the 258 galaxies from the Local Volume Legacy (LVL) survey, a large sample dominated in number by low-luminosity dwarf galaxies for which obtaining comparable mid-infrared spectroscopy is not feasible. We find the total LVL lum...

  3. Molecular dynamics studies of aromatic hydrocarbon liquids

    International Nuclear Information System (INIS)

    This project mainly involves a molecular dynamics and Monte Carlo study of the effect of molecular shape on thermophysical properties of bulk fluids with an emphasis on the aromatic hydrocarbon liquids. In this regard we have studied the modeling, simulation methodologies, and predictive and correlating methods for thermodynamic properties of fluids of nonspherical molecules. In connection with modeling we have studied the use of anisotropic site-site potentials, through a modification of the Gay-Berne Gaussian overlap potential, to successfully model the aromatic rings after adding the necessary electrostatic moments. We have also shown these interaction sites should be located at the geometric centers of the chemical groups. In connection with predictive methods, we have shown two perturbation type theories to work well for fluids modeled using one-center anisotropic potentials and the possibility exists for extending these to anisotropic site-site models. In connection with correlation methods, we have studied, through simulations, the effect of molecular shape on the attraction term in the generalized van der Waals equation of state for fluids of nonspherical molecules and proposed a possible form which is to be studied further. We have successfully studied the vector and parallel processing aspects of molecular simulations for fluids of nonspherical molecules

  4. A Reference Optical System of Laser Doppler Longitudinal Displacement Measurement

    Institute of Scientific and Technical Information of China (English)

    张存满; 赵洋; 李达成

    2001-01-01

    In this paper, a new reference optical system is put forward to achieve longitudinal displacement measurement. An optical grating is used for frequency mixing and getting high SNR signals in the measurement. Conditions and methods for getting Doppler beat signals are presented.The experiments indicate that this optical syetem can be used to measure the longitudinal displacement with high accuracy.

  5. Employment protection and the consequences for displaced workers

    DEFF Research Database (Denmark)

    Albæk, Karsten; van Audenrode, Marc; Browning, Martin

    We compare the wage and employment consequences of a job displacement in Belgium and Denmark. These two countries both have generous unemployment insurance schemes but job protection laws vary dramatically between the two. Using comparable data we find that the incidence of displacement and the...

  6. Isothermal Gas assisted displacement of a polystyrene melt

    DEFF Research Database (Denmark)

    Eriksson, Torbjörn Gerhard; Rasmussen, Henrik K.

    2007-01-01

    Isothermal gas displacements of a polystyrene melt (shaped as circular cylinder with a radius of 2.5mm) placed inside a circular steel annulus were performed. A flow valve ensures a constant flow rate and rotational symmetric flow during the displacement. The experiments show an increase in the...

  7. Gas dynamic characteristic of displacer in Stirling cryocoolers

    Institute of Scientific and Technical Information of China (English)

    Xinguang LIU; Dongyu LIU; Yong WANG; Yinong WU

    2008-01-01

    Based on the vector analysis of the dynamic characteristic of the displacer in split-type Stirling cryo-coolers, experimental study was performed on a 2 W@80 K cooler to uncover the relationship among pressure fluctuation, damped impedance, inherent fre-quency, cold-tip temperature and the cooling perform-ance. The result shows that the pressure amplitude and phase shift between pressure and displacer motion decrease when the cooling temperature decreases; the dynamic damp of the displacer increases at lower cooling temperature, which results in the increase of pressure drop of the regenerator, the decrease of average pressure of the cold cubage, the decrease of gas dynamic pressure, the decrease of phase shift between pressure and displacer motion, and the displacement of the regenerator and the PV power; at lower cooling temperature, the inherent fre-quency of the displacer increases because of the augmen-tation of gas spring constant. And as the inherent frequency is getting closer to the operating frequency, the drive current of the motor decreases; the piston of the compressor affects the displacer by the pressure fluc-tuation engendered by its motion, and the displacer reacts by changing the mass and momentum distribution to adjust the gas spring constant and the damp coefficient.

  8. A displacement based FE formulation for steady state problems

    NARCIS (Netherlands)

    Yu, Yuhong

    2005-01-01

    In this thesis a new displacement based formulation is developed for elasto-plastic deformations in steady state problems. In this formulation the displacements are the primary variables, which is in contrast to the more common formulations in terms of the velocities as the primary variables. In a s

  9. Study on the applicability of the desk displacement ventilation concept

    NARCIS (Netherlands)

    Loomans, Marcel G.L.C.

    1999-01-01

    This paper summarizes an experimental and numerical study into a ventilation concept that combines displacement ventilation with task conditioning, the so-called desk displacement ventilation (DDV) concept. The study uses steady-state and transient results to discuss the applicability of the DDV con

  10. Displacement Ventilation in a Room with Low-Level Diffusers

    DEFF Research Database (Denmark)

    Nielsen, Peter V.

    Ventilation systems with vertical displacement flow have been used in industrial areas with high thermal loads for many years. Quite resently the vertical displacement flow systems have grown popular as comfort ventilation in rooms with thermal loads e.g. offices....

  11. Displacement and Force Measurements with Quadrant Photodetector in Optical Tweezers

    Institute of Scientific and Technical Information of China (English)

    郭红莲; 刘春香; 李兆霖; 段建发; 韩学海; 程丙英; 张道中

    2003-01-01

    A technique of displacement and force measurements with a photodiode quadrant detector in an optical tweezers system is presented. The stiffness of optical trap is calibrated and the leukemia cell membrane tension is measured.The results show that the optical tweezers combined with the quadrant detector is a very useful tool for detecting the displacement and force with a millisecond-order response.

  12. Hyoid Displacement in Post-Treatment Cancer Patients: Preliminary Findings

    Science.gov (United States)

    Zu, Yihe; Yang, Zhenyu; Perlman, Adrienne L.

    2011-01-01

    Purpose: Dysphagia after head and neck cancer treatment is a health care issue; in some cases, the cause of death is not cancer but, rather, the passage of food or liquid into the lungs. Hyoid displacement is known to be important to safe swallowing function. The purpose of this study was to evaluate hyoid displacement after cancer treatment.…

  13. Predicting target displacements using ultrasound elastography and finite element modeling

    NARCIS (Netherlands)

    Buijs, J.O. den; Hansen, H.H.G.; Lopata, R.G.P.; Korte, C.L. de; Misra, S.

    2011-01-01

    Soft tissue displacements during minimally invasive surgical procedures may cause target motion and subsequent misplacement of the surgical tool. A technique is presented to predict target displacements using a combination of ultrasound elastography and finite element (FE) modeling. A cubic gelatin/

  14. 48 CFR 952.226-74 - Displaced employee hiring preference.

    Science.gov (United States)

    2010-10-01

    ... Displaced employee hiring preference. As prescribed in 48 CFR (DEAR) 926.7104, insert the following clause. Displaced Employee Hiring Preference (JUN 1997) (a) Definition. Eligible employee means a current or former... preference. 952.226-74 Section 952.226-74 Federal Acquisition Regulations System DEPARTMENT OF ENERGY...

  15. Simultaneous sensing of displacement and temperature with a single FBG

    Institute of Scientific and Technical Information of China (English)

    WEI Ting; QIAO Xue-guang; JIA Zhen-an

    2011-01-01

    @@ A novel fiber Bragg grating (FBG) sensor with simultaneous sensing of displacement and temperature is presented.The FBG is affixed on the cantilever inclinedly.The midpoint of FBG exactly coincides with the zero strain layer of a rectangular beam.The vertical displacement can be measured by the broadened bandwidth of FBG as the bandwidth is insensitive to temperature, while the temperature can be measured by the center wavelength shift as the wavelength shift is insensitive to vertical displacement.With 0.1 nm spectral resolution of the analyzer, sensitivities of bandwidth-displacement and center wavelength-temperature are 0.48 nm/mm and 0.05 nm/℃, resolutions are 0.2 mm and 2.0 ℃, and sensing ranges of displacement and temperature are up to 8.5 mm and 45℃ respectively.Experimental results match theoretical analyses very well.

  16. POST TRAUMATIC DISPLACEMENT OF TESTIS- A RARE CASE REPORT

    Directory of Open Access Journals (Sweden)

    Avadhut

    2013-03-01

    Full Text Available ABSTRACT: Traumatic displacement of the testis is a rare occur rence and is defined as the displacement of one or both testis to a position othe r than the scrotum (1 .Traumatic displacement of testis is commonly a delayed diagnos is during treatment occurs as a consequence of high velocity road traffic accident (2 usually following a motorcycle collision, in what is referred to as "fuel tank injury”. Early id entification and subsequent surgical management is of utmost importance to maintain norm al spermatogenesis in the displaced testis. We report a case of traumatic displacement o f testis in superficial inguinal pouch in a young man presented 1 year after a road traffic acci dent. The clinical diagnosis was well supported by USG. The patient was successfully treated by inguinal exploration and repositioning of testis in scrotum, under spinal anes thesia.

  17. Synthetic-wavelength self-mixing interferometry for displacement measurement

    Science.gov (United States)

    Chen, Junbao; Zhu, Hongbin; Xia, Wei; Guo, Dongmei; Hao, Hui; Wang, Ming

    2016-06-01

    A simple synthetic-wavelength self-mixing interferometer is proposed for precision displacement measurement. Choosing the frequency difference of the orthogonally polarized dual frequency He-Ne laser appropriately, we introduce synthetic wavelength theory into self-mixing interference principle and demonstrate a feasible optical configuration by simply adjusting the optical design of self-mixing interferometer. The phase difference between the two orthogonally polarized feedback fringes is observed, and the tiny displacement of the object can be measured through the phase change of the synthetic signal. Since the virtual synthetic wavelength is 106 times larger than the operating wavelength, sub-nanometer displacement of the object can be obtained in millimeter criterion measurement without modulation, demodulation and complicated electrical circuits. Experimental results verifies the synthetic wavelength self-mixing interferometer's ability of measuring nanoscale displacement, which provides a potential approach for contactless precision displacement measurement in a number of scientific and industrial applications.

  18. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    , chlorophenols, nitrophenol, chlorobenzenes and aromatic nitrogen-, sulphur- or oxygen-containing heterocyclic compounds (NSO-compounds). Furthermore, a comparison with degradation rates observed for easily degradable organics is also presented. At concentrations below 20-100 μg/l the degradation of the aromatic...

  19. Products Distribution of Meta-Oriented Aromatic Polyamide Needs Improvement

    Institute of Scientific and Technical Information of China (English)

    Sun Maojian

    2007-01-01

    @@ Capacity holding the second place in the world Metaoriented aromatic polya-mide fiber was first developed by DuPont of the United States. Commercial production began in the late 1960s.Today the world's capacity to produce meta-oriented aromatic polyamide fiber is 28 150t/a, and DuPont holds a 78% market share.

  20. High atmosphere-ocean exchange of semivolatile aromatic hydrocarbons

    Science.gov (United States)

    González-Gaya, Belén; Fernández-Pinos, María-Carmen; Morales, Laura; Méjanelle, Laurence; Abad, Esteban; Piña, Benjamin; Duarte, Carlos M.; Jiménez, Begoña; Dachs, Jordi

    2016-06-01

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 102-103 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr-1, around 15% of the oceanic CO2 uptake.

  1. Laboratory Investigation of Organic Aerosol Formation from Aromatic Hydrocarbons

    Science.gov (United States)

    Molina, Luisa T.; Molina, Mario J.; Zhang, Renyi

    2006-08-23

    Our work for this DOE funded project includes: (1) measurements of the kinetics and mechanism of the gas-phase oxidation reactions of the aromatic hydrocarbons initiated by OH; (2) measurements of aerosol formation from the aromatic hydrocarbons; and (3) theoretical studies to elucidate the OH-toluene reaction mechanism using quantum-chemical and rate theories.

  2. Bis-perfluoroalkylation of aromatic compounds with sodium perfluoroalkanesulfinates

    Institute of Scientific and Technical Information of China (English)

    LIU, Jin-Tao(刘金涛); LU, He-Jun(吕贺军)

    2000-01-01

    Bis-perfluoroalkylation of aromatic compounds such as dimethoxybenzenes (2,4,6), anisole (8), pyridine (10) and quinoline (13) was accomplished by reaction with excess sodium perfluoroalkanesulfinates, RFSO2Na (1), in the presence of Mn(OAc)3·2H2O under mild conditions. The reaction provides a facile method for the synthesis of bis-perfluoroalkylated aromatic compounds.

  3. 40 CFR 721.757 - Polyoxyalkylene substituted aromatic azo colorant.

    Science.gov (United States)

    2010-07-01

    ... azo colorant. 721.757 Section 721.757 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.757 Polyoxyalkylene substituted aromatic azo colorant. (a) Chemical... as polyoxyalkylene substituted aromatic azo colorant (PMN P-92-1131) is subject to reporting...

  4. The optimization of 18F-nucleophilic fluorination reaction and its application in synthesis of VMAT2 imaging tracer: [18F]AV-133

    International Nuclear Information System (INIS)

    Objective: The nucleophilic introduction of n.c.a. [18F]F- into alkanes by nucleophilic reaction is the main method of preparing 18F-labelled radiopharmaceuticals, and the efficient and rapid reaction is important in 18F-labelled radiopharmaceuticals. Method: Using 2-(3-substitute propoxy)naphthalene as model compound, the optimal reaction condition was achieved by comparing the different [18F]fluorination condition: 1)different leaving groups (-OTs, -I, -Br and -Cl), 2) different [18F]fluorination catalysts (Kryptofix222/K2CO3 and TBAHCO3), 3) different reaction solvent (ACN, DMSO and DMF), 4) [18F]fluorination temperature (40, 50 and 60 degree C) and 5) reaction time. The radiochemical yields were analyzed by TLC and HPLC. VMAT2 imaging tracer [18F]AV-133 was synthesized under the optimal conditions. Results: From the experiment results, the reation activity was the highest when using -OTs as the leaving group, followed by -I and -Br, -Clunder the [18F]fluorination condition of using K222/K2CO3 as catalyst and ACN as solvent. And also, the radiochemical yield raised as the reaction time and temperature increased. The higher temperature, the shorter time to reach the equilibrium. When changing the solvent from ACN to DMSO, the radiochemical yields were increased. On the contrary, the radiochemical yields were decreasing by using DMF. Comparing the catalyst K222/K2CO3 with TBAHCO3, the [18F] fluorination of -OTs gave a higher radiochemical yield in the presence of K222/K2CO3. So the optimized [18F]fluorination reaction condition was that choosing -OTs as the leaving group, the [18F]fluorination reaction was efficient and gave higher radiochemical yield catalyzed by K222/K2CO3 in DMSO at high temperature. [18F]fluorination of AV-244 was found to provide the VMAT2 imaging tracer [18F]AV-133 in 80 ± 2% radiochemical yield after reaction at 120 degree C for 3 min under optimized conditions. Conclusion: We have described an optimized condition of nucleophilic [18F

  5. Electron-Exchange Reactions of Aromatic Molecules

    International Nuclear Information System (INIS)

    A large body of information is available on the rates and mechanisms of inorganic electron-exchange processes. In contrast, purely organic systems have received only minor attention. The homogeneous electron-exchange rates (kexc) and the heterogeneous rate constants for the electrode reaction (kel) have been measured only for a few hydrocarbons. We have measured kexc for a variety of aromatic systems including hydrocarbons, quinones and nitro compounds. These measurements have been carried out via electron paramagnetic resonance (EPR) line broadening measurements on mixtures of radical ions and their parent compounds. We have been able to measure kexc with a precision that allows detection of small differences presumably due to molecular structure and environment. Hydrocarbon systems like anthracene/anthracene anion are very rapid with kexc values of ca. 108-109 litres mole-1 sec-1. Some substituted aromatics like quinones and nitriles are also quite rapid. However, when a strong electron acceptor function is present like a nitro group in nitrobenzene, the value of kexc decreases by a factor of 10. It is possible to correlate changes in kexc in the nitrobenzene series with the unpaired electron density in terms of the 14N coupling constants of the EPR spectra. Further, the nitro aromatic series show very large variations in kexc with the solvent system. These changes can be correlated with recent studies of the solvation effect on hyperfine coupling constants. Marcus has reviewed recently chemical and electrochemical electron-transfer theory and suggested correlations between kexc and kel. We have measured kel especially for the nitrobenzene system under conditions which are as nearly identical experimentally to the EPR studies as possible. The electrochemical investigations were carried out by a steady-state d.c. method to eliminate some of the uncertainties inherent in electrochemical relaxation techniques. Rotated disc electrodes at low temperatures were used

  6. Displacement of the posterior part of the eyeball in myopia

    International Nuclear Information System (INIS)

    The principal aim of this study was to investigate displacement of the posterior part of the eyeball within the muscle cone in myopic eyes, particularly in moderately myopic subjects as well as in high myopes. Secondly, the correlation of the amount of displacement and the outer axial length of the globe was studied. The direction of displacement was also examined to clarify whether the eyeball tends to shift toward a certain direction. Seven patients with moderate myopia (moderate myopia group), fifteen patients with high myopia without esotropia (high myopia group), five patients with high myopia and esotropia (myopic esotropia group), and twenty-two controls (control group) were examined. Using magnetic resonance imaging, the outer axial length and the displacement of the posterior portion of the eyeball in the muscle cone were measured. In order to eliminate interindividual differences in the facial configuration, the coronal scanning was done perpendicularly to the orbital axis. The displacement was measured in a plane 4 mm anterior to the globe-optic nerve junction. The displacement was represented by the distance and direction of the globe center from the center of the muscle cone. In the moderate myopia group, there was no displacement of the posterior part of the eyeball in the muscle cone. It was the same as in the control group. But among the three groups, the displacement (mean±standard deviation) was significantly greater in the myopic esotropia group (1.53±0.49 mm) and the high myopia group (0.94±0.52 mm) than in the control group (0.11±0.18 mm) (one way ANOVA and multiple comparison). The outer axial length and the distance of the displacement in all cases was significantly correlated (r=0.87, p=0.01). Moreover, the posterior part of the eyeball of the myopic esotropia group and the high myopia group was displaced superiorly and temporally. The posterior part of the eyeball of myopic eyes was displaced superotemporally in the muscle cone

  7. MRI of radial displacement of the meniscus in the knee

    International Nuclear Information System (INIS)

    Objective: To describe the phenomenon of radial displacement of the meniscus of the knees in the study population with MR imaging, and to establish MRI diagnostic criteria for radial displacement of the meniscus and displacement index. Methods: MR signs of radial displacement of the meniscus were evaluated retrospectively in 398 patients with knee symptoms who were examined with non- weight bearing MR images from Jan. 2000 to Feb. 2004. The patients younger than 18 years old, with joint effusion or serious arthropathy were excluded and 312 patients were eligible to be enrolled in this study. The criterion for radial displacement of the meniscus was defined as the location of the edge of meniscal body beyond the femoral and tibial outer border line. A displacement index, defined as the ratio of meniscal overhang to meniscal width, was used to quantify meniscal displacement. Results: The prevalence of radial displacement of the meniscus was 16.7% (52/312) and 13.9% (21/151) in right knee and 19.3% (31/161 )in left knee, respectively. There was no significant difference between left and right knee (χ2=1.60, P>0.05) and the ratio between medial and lateral meniscus was 7.8:1. The average displacement index was 0.54±0.24. The displacement indices were significant higher in older group (F=3.63, P<0.05). The incidence and indices of radial displacement of the meniscus for patients under or above 50 year older were 12.0%(17/142), 0.46±0.22 and 20.6% (35/170), 0.64±0.20, respectively. Difference was highly significant (t=0.84, P<0.01). Conclusion: It was concluded that radial displacement of the meniscus in knees was not a rare finding with MR imaging in patients with knee symptoms. The incidence increased in older age group. Further investigations were recommended to understand the etiology and clinical significance of the phenomenon of radial displacement of the meniscus. (authors)

  8. Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals

    KAUST Repository

    Zeng, Zebing

    2015-01-01

    © 2015 The Royal Society of Chemistry. Aromaticity is an important concept to understand the stability and physical properties of π-conjugated molecules. Recent studies on pro-aromatic and anti-aromatic molecules revealed their irresistible tendency to become diradicals in the ground state. Diradical character thus becomes another very important concept and it is fundamentally correlated to the physical (optical, electronic and magnetic) properties and chemical reactivity of most of the organic optoelectronic materials. Molecules with distinctive diradical character show unique properties which are very different from those of traditional closed-shell π-conjugated systems, and thus they have many potential applications in organic electronics, spintronics, non-linear optics and energy storage. This critical review first introduces the fundamental electronic structure of Kekulé diradicals within the concepts of anti-aromaticity and pro-aromaticity in the context of Hückel aromaticity and diradical character. Then recent research studies on various stable/persistent diradicaloids based on pro-aromatic and anti-aromatic compounds are summarized and discussed with regard to their synthetic chemistry, physical properties, structure-property relationships and potential material applications. A summary and personal perspective is given at the end.

  9. Neutron Scattering of Aromatic and Aliphatic Liquids

    Science.gov (United States)

    Falkowska, Marta; Bowron, Daniel T.; Manyar, Haresh G.

    2016-01-01

    Abstract Organic solvents, such as cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene, are widely used as both reagents and solvents in industrial processes. Despite the ubiquity of these liquids, the local structures that govern the chemical properties have not been studied extensively. Herein, we report neutron diffraction measurements on liquid cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene at 298 K to obtain a detailed description of the local structure in these compounds. The radial distribution functions of the centres of the molecules, as well as the partial distribution functions for the double bond for cyclohexene and methyl group for methylcyclohexane and toluene have been calculated. Additionally, probability density functions and angular radial distribution functions were extracted to provide a full description of the local structure within the chosen liquids. Structural motifs are discussed and compared for all liquids, referring specifically to the functional group and aromaticity present in the different liquids. PMID:26990367

  10. Photochemically induced oscillations of aromatic pentazadienes

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, T.; Hahn, C.; Wokaun, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Aromatic pentazadienes are used to enhance the laser induced ablation of standard polymers with low absorption in the UV. Therefore the photochemistry of substituted 1,5-diaryl-3-alkyl-1,4-pentazadiene monomers was studied with a pulsed excimer laser as irradiation source. The net photochemical reaction proceeds in an overall one-step pathway A{yields}B. Quantum yields for the laser decomposition were determined to be up to 10%. An oscillating behaviour of the absorption was found during the dark period following the irradiation. The temperature dependence of this dark reaction has been studied. An attempt to model this behaviour in terms of a non-linear coupling between heat released, heat transfer, and reaction kinetics will be described. (author) 4 figs., 4 refs.

  11. Neutron Scattering of Aromatic and Aliphatic Liquids.

    Science.gov (United States)

    Falkowska, Marta; Bowron, Daniel T; Manyar, Haresh G; Hardacre, Christopher; Youngs, Tristan G A

    2016-07-01

    Organic solvents, such as cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene, are widely used as both reagents and solvents in industrial processes. Despite the ubiquity of these liquids, the local structures that govern the chemical properties have not been studied extensively. Herein, we report neutron diffraction measurements on liquid cyclohexane, cyclohexene, methylcyclohexane, benzene and toluene at 298 K to obtain a detailed description of the local structure in these compounds. The radial distribution functions of the centres of the molecules, as well as the partial distribution functions for the double bond for cyclohexene and methyl group for methylcyclohexane and toluene have been calculated. Additionally, probability density functions and angular radial distribution functions were extracted to provide a full description of the local structure within the chosen liquids. Structural motifs are discussed and compared for all liquids, referring specifically to the functional group and aromaticity present in the different liquids. PMID:26990367

  12. Muonium addition reactions to aromatic solutes

    International Nuclear Information System (INIS)

    Reaction rate constants of 0.3 to 1.1 x 10sup(10) Msup(-1) ssup(-1) were determined for the reaction of muonium (μsup(+)esup(-),Mu) with seven aromatic solutes in dilute aqueous solution at approximately 295K. The reaction was deduced to be that of addition to the benzene ring to form cyclohexadienyl radicals. On comparison with the analogous H-atom reactions, the kinetic isotope effects were generally about three, equal to the mean thermal velocity ratio of Mu/H. When analyzed through the Hammett equation there were serious discontinuities but a rho value of +0.6 was deduced, not inconsistent with attack by a mildly electron-donating neutral atom forming only free radical intermediates

  13. Naturally occurring antifungal aromatic esters and amides

    International Nuclear Information System (INIS)

    During the search of antifungal natural products from terrestrial plants, a new long chained aromatic ester named grandiflorate along with spatazoate from Portulaca grandiflora and N-[2-methoxy-2-(4-methoxyphenyl) ethyl]-trans-cinnamide and aegeline from Solanum erianthum of Nigeria were isolated and tested against six fungal species. The known constituents have not been reported so far from mentioned investigated plants. Structures of the isolated compounds were elucidated with the aid of spectroscopic techniques including two dimensional NMR experiments. Among the compounds, the esters found more potent than amides against Candida albicans and Aspergillus flavus. The new compound grandiflorate gave response against all tested fungal species while aegeline was found to give lowest inhibition during this study. (author)

  14. ANTIEMETIC ACTIVITY OF SOME AROMATIC PLANTS

    Directory of Open Access Journals (Sweden)

    Hasan MuhammadMohtasheemul

    2012-02-01

    Full Text Available Current study was conducted to explore the antiemetic activity of ten aromatic medicinal plants viz., Carissa carandus L. (fruits, Chichorium intybus L (flowers, Cinnamum tamala L (leaves, Curcuma caesia Roxb (rhizomes, Lallemantia royleana Benth (leaves, Matricaria chamomila L (flowers, Piper longum L (fruits, Piper methysticum G. Forst (fruits, Piper nigrum Linn. (fruits and Syzygium aromaticum (Linn. Merr. & Perry (flowering buds was studied using chick emetic model. The ethanol extracts of these plants were administered at 150 mg/kg body weight orally. Domperidone was given at 100 mg/kg as a reference drug. All the extracts decrease in retches induced by copper sulphate pentahydrate given orally at 50 mg/kg body weight and showed comparable antiemetic activity with domperidone. Compound targeted antiemetic activity is further suggested.

  15. Aromatic fluorine compounds. VII. Replacement of aromatic -Cl and -NO2 groups by -F

    Science.gov (United States)

    Finger, G.C.; Kruse, C.W.

    1956-01-01

    Replacement of -Cl by -F in aryl chlorides with potassium fluoride has been extended from 2,4-dinitrochlorobenzene to less activated halides by the use of non-aqueous solvents, especially dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Also replacement of -NO2 by -F in substituted nitrobenzenes was studied in DMF. As a direct result of this study, many aromatic fluorine compounds can now be obtained by a relatively simple synthetic route.

  16. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nkansah, Marian Asantewah

    2012-11-15

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refining process can also result in the release of PAHs. It is therefore prudent that such effluents are treated before discharge into the environment. In this project, different approaches to the treatment of PAHs have been investigated. Hydrous pyrolysis has been explored as a potential technique for degrading PAHs in water using anthracene as a model compound. The experiments were performed under different conditions of temperature, substrate, redox systems and durations. The conditions include oxidising systems comprising pure water, hydrogen peroxide and Nafion-SiO2 solid catalyst in water; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts to assess a range of reactivities. Products observed in GCMS analysis of the extract from the water phase include anthrone, anthraquinone, xanthone and multiple hydro-anthracene derivatives (Paper I). In addition a modified version of the Nafion-SiO2 solid catalyst in water oxidising system was tested; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts were adopted for the conversion of a mixture of anthracene, fluorene and fluoranthene. The rate of conversion in the mixture was high as compared to that of only anthracene (Paper II). Also the use of LECA (Lightweight expanded clay aggregates) as an adsorbent (Paper III) for PAHs (phenanthrene, fluoranthene and pyrene) removal from water has been.(Author)

  17. The role of environmental degradation in population displacement.

    Science.gov (United States)

    Lonergan, S

    1998-01-01

    This article answers a series of questions about the role of environmental degradation in population displacement, refugee movement, and migration. The environment tends not to be included in the reasons for migration. Roger's indicators of migration potential include population growth, economic restructuring, increased economic disparities, and increased refugee flows. Myers (1993) estimated that international displacement and internal displacement may amount to about 25 million and may rise to 150 million by 2050. The role of the environment in displacement must be examined in the broader political and cultural context. Definitions of environmental refugees are ambiguous and inconsistent, and research has not answered why people continue to move to Mexico City and Chongqing, China, which both have very high levels of pollution. El-Hinnawi (1985) defined 3 groups of environmental refugees: those displaced due to natural disasters; those displaced due to permanent habitat changes; and those displaced who migrated from areas that cannot support their basic needs and who desire an improved quality of life. Lonergan (1994) identified environmental stresses as natural disasters, cumulative or slow-onset changes, accidental disruptions or industrial accidents, development projects, and conflict and warfare. These 5 causes must be treated separately and not lumped together as environmental degradation. Shoreline erosion, coastal flooding, and agricultural disruption associated with climate change may increase migration. Global measures must address world poverty and promote sustainable development. PMID:12321719

  18. Measurement of chest wall displacement based on terahertz wave

    Science.gov (United States)

    Li, Hui; Lv, Hao; Jiao, Teng; Lu, Guohua; Li, Sheng; Li, Zhao; Liu, Miao; Jing, Xijing; Wang, Jianqi

    2015-02-01

    Measurement of chest wall displacement is an important approach for measuring mechanics of chest wall, which has considerable significance for assessing respiratory system and diagnosing pulmonary diseases. However, existing optical methods for measuring chest wall displacement are inconvenient for some specific patients such as the female patients and the patients with bandaged chest. In this letter, we proposed a method for measuring chest wall displacement based on terahertz wave and established corresponding mathematic model and set up a terahertz measurement system. The main advantages of this method are that it can measure the chest wall displacement of the subjects without taking off clothes or arranging any markers. To validate this method and assess the performance of the terahertz system, in vitro, the displacement of a water module driven by a linear guide rail was measured by the terahertz system and compared with the actual displacement of the water module. The results showed that the waveforms measured with two methods have a good agreement, and the relative error is less than 5% and sufficiently good for measurement demands. In vivo, the synchronous experiment was performed on five human volunteers with the terahertz system and a respiratory belt transducer. The results demonstrate that this method has good performance and promising prospects for measuring chest wall displacement.

  19. The Effect of Basepair Mismatch on DNA Strand Displacement.

    Science.gov (United States)

    Broadwater, D W Bo; Kim, Harold D

    2016-04-12

    DNA strand displacement is a key reaction in DNA homologous recombination and DNA mismatch repair and is also heavily utilized in DNA-based computation and locomotion. Despite its ubiquity in science and engineering, sequence-dependent effects of displacement kinetics have not been extensively characterized. Here, we measured toehold-mediated strand displacement kinetics using single-molecule fluorescence in the presence of a single basepair mismatch. The apparent displacement rate varied significantly when the mismatch was introduced in the invading DNA strand. The rate generally decreased as the mismatch in the invader was encountered earlier in displacement. Our data indicate that a single base pair mismatch in the invader stalls branch migration and displacement occurs via direct dissociation of the destabilized incumbent strand from the substrate strand. We combined both branch migration and direct dissociation into a model, which we term the concurrent displacement model, and used the first passage time approach to quantitatively explain the salient features of the observed relationship. We also introduce the concept of splitting probabilities to justify that the concurrent model can be simplified into a three-step sequential model in the presence of an invader mismatch. We expect our model to become a powerful tool to design DNA-based reaction schemes with broad functionality. PMID:27074674

  20. A method to calculate displacement factors using SVM

    Institute of Scientific and Technical Information of China (English)

    Li Peixian; Tan Zhixiang; Yan Lili; Deng Kazhong

    2011-01-01

    In order to improve the precision of mining subsidence prediction,a mathematical model using Support Vector Machine (SVM) was established to calculate the displacement factor.The study is based on a comprehensive analysis of factors affecting the displacement factor,such as mechanical properties of the cover rock,the ratio of mining depth to seam thickness,dip angle of the coal seam and the thickness of loose layer.Data of 63 typical observation stations were used as a training and testing sample set.A SVM regression model of the displacement factor and the factors affecting it was established with a kernel function,an insensitive loss factor and a properly selected penalty factor.Given an accurate calculation algorithm for testing and analysis,the results show that an SVM regression model can calculate displacement factor precisely and reliable precision can be obtained which meets engineering requirements.The experimental results show that the method to calculation of the displacement factor,based on the SVM method,is feasible.The many factors affecting the displacement factor can be considered with this method.The research provides an efficient and accurate approach for the calculation of displacement in mining subsidence prediction.

  1. A multimetallic piano-stool Ir-Sn3 catalyst for nucleophilic substitution reaction of γ-hydroxy lactams through N-acyliminium ions.

    Science.gov (United States)

    Maity, Arnab Kumar; Roy, Sujit

    2012-03-16

    A multimetallic piano-stool complex [Cp*Ir(SnCl(3))(2){SnCl(2)(H(2)O)(2)}] (1) having Ir-Sn(3) motif has been synthesized from [Cp*IrCl(2)](2) and SnCl(2). The multimetallic complex catalytically promotes the nucleophilic substitution reaction (here after α-amidoalkylation reaction) of γ-hydroxylactams generated from phthalimidals to obtain decorated isoindolinones in excellent yields. Succinamidals, however, lead to the substituted pyrrolidinones (thermodynamic control product) via S(N)1-type path as well as eliminated pyrrolinones (kinetic control product) via an E1-type path, depending on the reaction parameters. A straightforward application of this methodology is to synthesize benzo-fused indolizidine alkaloid mimics. PMID:22364643

  2. Synthesis of symmetrical 2,2',4,4'-tetrasubstituted [4,4'-bithiazole]-5,5'(4H,4'H)-diones and their reactions with some nucleophiles

    DEFF Research Database (Denmark)

    Andersen, Kenneth K.; Bray, Diana D.; Kjær, Anders;

    1997-01-01

    ,4'-dibenzyl-[4,4'-bithiazole]-5,5'(4H,4'H)-dione were treated with nocleophiles. The former gave imide derivatives of alfa,alfa-dehydrodimeric amino acids when the nucleophile was L-alanine ethyl ester or 1-butylamine. The structure of one of the reaction products, (4R*,5R*)-2,5-diphenyl-2-thiazoline-4......-carboxylic acid and piperidylamide, was established by X-ray crystallography. Treatment of stereoisomeric mixtures of 2,2'-diethoxy-4,4'-bithiazolones with HCl in benzene gave the corresponding racemic and meso bis-(N-carboxythioanhydride)s. A stereoisomeric mixture of the bis(N-carboxythioanhydride)s of...... leucine treated with glycine ethyl ester gave a bicyclic derivative of the alfa,alfa-dehydrodimeric amino acid....

  3. New Method for Nucleophilic Substitution on Hexachlorocyclotriphosphazene by Allylamine Using an Algerian Proton Exchanged Montmorillonite Clay (Maghnite-H+ as a Green Solid Catalyst

    Directory of Open Access Journals (Sweden)

    Lahouaria Medjdoub

    2016-08-01

    Full Text Available Nucleophilic substitution on hexachlorocyclotriphosphazene (HCCTP with allylamine in order to give hexa(allylaminocyclotriphosphazene (HACTP  is performed for the first time under mild conditions by using diethylether as solvent to replace benzene which is very toxic. The reaction time is reduced to half and also performed at room temperature but especially in the presence of an eco-catalyst called Maghnite-H+. This catalyst has a significant role in the industrial scale. In fact, the use of Maghnite is preferred for its many advantages: a very low purchase price compared to other catalysts, the easy removal of the reaction mixture. Then, Maghnite-H+ is became an excellent catalyst for many chemical reactions. The structure of HACTP synthesized in the presence of Maghnite-H+ to 5% by weight is confirmed by 1H-NMR, 13C-NMR, 31P-NMR (Nuclear magnetic resonance and FTIR (Fourier Transform Infrared spectroscopy. MALDI-TOF (Matrix-Assisted Laser Desorption/Ionisation-time-of-flight mass spectrometry is used to establish the molecular weight of HACTP which is 471 g/mol. DSC (Differential Scanning Calorimetery and TGA (Thermogravimetric Analysis show that HACTP is a crystalline product with a melting point of 88 °C. It is reactive after melting but is degraded from 230 °C. Copyright © 2016 BCREC GROUP. All rights reserved Received: 28th September 2015; Revised: 5th December 2015; Accepted: 4th January 2016 How to Cite: Medjdoub, L., Mohammed, B. (2016. New Method for Nucleophilic Substitution on Hexachlorocyclotriphosphazene by Allylamine Using an Algerian Proton Exchanged Montmorillonite Clay (Maghnite-H+ as a Green Solid Catalyst. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (2: 151-160 (doi:10.9767/bcrec.11.2.541.151-160 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.2.541.151-160

  4. A Study of Horizontal Displacement of Laterally Loaded Piles

    Directory of Open Access Journals (Sweden)

    Aram M. Raheem

    2013-05-01

    Full Text Available  A theoretical approach is used to analyze single pile and pile in group under lateral loading using two programs. The first one used the finite element method for single pile depending on plain strain condition while the second one used the characteristic load method for pile in group. Horizontal displacement for pile in group is measured while both horizontal displacement and shear stress for single pile are measured. A comparison between the results of horizontal displacement for both single pile and pile in group with the actual practical values are produced and shows a good agreement.

  5. Human response to ductless personalized ventilation coupled with displacement ventilation

    DEFF Research Database (Denmark)

    Dalewski, Mariusz; Veselý, Michal; Melikov, Arsen K.

    A human subject experiment was carried out to investigate the extent to which ductless personalized ventilation (DPV) in conjunction with displacement ventilation can improve perceived air quality (PAQ) and thermal comfort at elevated room air temperature in comparison with displacement ventilation......). During one hour exposure participants answered questionnaires regarding PAQ and thermal comfort. PAQ was significantly better with DPV than without DPV at the same background conditions. Thermal comfort improved when DPV was used. Combining DPV with displacement ventilation showed the potential for...... improving PAQ and thermal comfort when room air temperature is above the comfortable temperature range....

  6. Helium vs. Proton Induced Displacement Damage in Electronic Materials

    Science.gov (United States)

    Ringo, Sawnese; Barghouty, A. F.

    2010-01-01

    In this project, the specific effects of displacement damage due to the passage of protons and helium nuclei on some typical electronic materials will be evaluated and contrasted. As the electronic material absorbs the energetic proton and helium momentum, degradation of performance occurs, eventually leading to overall failure. Helium nuclei traveling at the same speed as protons are expected to impart more to the material displacement damage; due to the larger mass, and thus momentum, of helium nuclei compared to protons. Damage due to displacement of atoms in their crystalline structure can change the physical properties and hence performance of the electronic materials.

  7. The effect of Coulombic friction on spatial displacement statistics

    CERN Document Server

    Menzel, Andreas M

    2010-01-01

    The phenomenon of Coulombic friction enters the stochastic description of dry friction between two solids and the statistic characterization of vibrating granular media. Here we analyze the corresponding Fokker-Planck equation including both velocity and spatial components, exhibiting a formal connection to a quantum mechanical harmonic oscillator in the presence of a delta potential. Numerical solutions for the resulting spatial displacement statistics show a crossover from exponential to Gaussian displacement statistics. We identify a transient intermediate regime that exhibits multiscaling properties arising from the contribution of Coulombic friction. These results are relevant to recent experimental studies of the displacement of colloidal particles along bilayer membrane tubes.

  8. Measurement of local relative displacements in large structures

    DEFF Research Database (Denmark)

    Tesauro, Angelo; Eder, Martin Alexander; Nielsen, Magda

    2014-01-01

    and capable of measuring 3D local displacements with a high degree of accuracy. In this article, the technique is used to measure local deformations in the vicinity of the adhesive trailing edge joint of a wind turbine rotor blade. The SDMS results correspond well with another independent measurement...... particular. The measurement of small local relative displacements in structures subjected to large global deformations is complex and hardly feasible with conventional measurement methods. Therefore, a Small Displacement Measurement System (SDMS) has been devised. The SDMS is based on stereo photogrammetry...

  9. C-Terminally modified peptides via cleavage of the HMBA linker by O-, N- or S-nucleophiles

    DEFF Research Database (Denmark)

    Hansen, Jonas; Diness, Frederik; Meldal, Morten Peter

    2016-01-01

    A large variety of C-terminally modified peptides was obtained by nucleophilic cleavage of the ester bond in solid phase linked peptide esters of 4-hydroxymethyl benzamide (HMBA). The developed methods provided peptides, C-terminally functionalized as esters, amides and thioesters, with high puri...

  10. The future role of aromatics in refining and petrochemistry. Proceedings of the DGMK-Conference (Authors' manuscripts)

    Energy Technology Data Exchange (ETDEWEB)

    Emig, G.; Rupp, M.; Weitkamp, J. [eds.

    1999-07-01

    Topic of this conference has been the furure role of aromatics in the refinign industry. The articles deal with the following topics: Refining; legal aspects in the aromatics market; transportation fuels; dearomatization; catalytic reforming and aromatics; separation processes for aromatics; oxidation and ammoxidation of aromatics; electrophilic substitution of aromatics; hydrogenation of benzene; zeolites. (orig./sr)

  11. Aromatic hydrocarbon concentrations in sediments of Placentia Bay, Newfoundland

    International Nuclear Information System (INIS)

    A study was conducted to examine the potential for contamination of recent sediments with polycyclic aromatic hydrocarbons due to tanker and refinery activity in Placentia Bay, Newfoundland, an area without large local anthropogenic sources of aromatics. Sediment samples were taken from the vicinity of the Come By Chance refinery, Woody Island, Wild Cove, and Port Royal Arm, all in the north end of the bay. The samples were extracted by two methods, dichloromethane extraction of dried sediment for determination of total aromatic hydrocarbon content and hexane extraction of wet sediment for estimation of the bioavailability of hydrocarbons and determination of more volatile compounds. Class analysis of aromatic hydrocarbons was conducted on a NH2 column with detection at 255 nm. Total concentrations of di-tricyclic aromatics were highest at the Woody Island site (0.6 μg/g). The sediments from the Come By Chance site, Wild Cove, and Port Royal Arm sediments contained 0.3, 0.1, and 0.2 μg/g respectively. The hexane extracts from Come By Chance were lowest in di-tricyclic aromatics (0.007 μg/g), with the other sites being equal in concentration (0.01 μg/g). It is evident from the study that aromatic hydrocarbon concentrations in Placentia Bay are elevated in some parts of the bay in the absence of local combustion sources, and that the most likely source is petroleum. 12 refs., 5 figs., 2 tabs

  12. How non-conventional feedstocks will affect aromatics technologies

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, E. [Clariant Produkte (Deutschland) GmbH, Muenchen (Germany)

    2013-11-01

    The abundance of non-conventional feedstocks such as coal and shale gas has begun to affect the availability of traditional base chemicals such as propylene and BTX aromatics. Although this trend is primarily fueled by the fast growing shale gas economy in the US and the abundance of coal in China, it will cause the global supply and demand situation to equilibrate across the regions. Lower demand for gasoline and consequently less aromatics rich reformate from refineries will further tighten the aromatics markets that are expected to grow at healthy rates, however. Refiners can benefit from this trend by abandoning their traditional fuel-oriented business model and becoming producers of petrochemical intermediates, with special focus on paraxylene (PX). Cheap gas from coal (via gasification) or shale reserves is an advantaged feedstock that offers a great platform to make aromatics in a cost-competitive manner, especially in regions where naphtha is in short supply. Gas condensates (LPG and naphtha) are good feedstocks for paraffin aromatization, and methanol from coal or (shale) gas can be directly converted to BTX aromatics (MTA) or alkylated with benzene or toluene to make paraxylene. Most of today's technologies for the production and upgrading of BTX aromatics and their derivatives make use of the unique properties of zeolites. (orig.)

  13. Living in the shadows: internally displaced people in southern Africa

    Directory of Open Access Journals (Sweden)

    Marion Ryan Sinclair

    1998-04-01

    Full Text Available The Centre for Southern African Studies at the University of the Western Cape has recently begun a research project designed to investigate the extent, conditions and prognoses of internally displaced people (IDPs in southern African countries.

  14. Brake Pedal Displacement Measuring System based on Machine Vision

    Directory of Open Access Journals (Sweden)

    Chang Wang

    2013-10-01

    Full Text Available Displacement of brake pedal was an important characteristic of driving behavior. This paper proposed a displacement measure algorithm based on machine vision. Image of brake pedal was captured by camera from left side, and images were processed in industry computer. Firstly, average smooth algorithm and wavelet transform algorithm were used to smooth the original image consecutively. Then, edge extracting method which combined Roberts’s operator with wavelet analysis was used to identify the edge of brake pedal. At last, least square method was adopted to recognize the characteristic line of brake pedal’s displacement. The experimental results demonstrated that the proposed method takes the advantages of Roberts’s operator and wavelet transform, it can obtain better measurement result as well as linear displacement sensors

  15. Analytical Modeling for the Grating Eddy Current Displacement Sensors

    Directory of Open Access Journals (Sweden)

    Lv Chunfeng

    2015-02-01

    Full Text Available As a new type of displacement sensor, grating eddy current displacement sensor (GECDS combines traditional eddy current sensors and grating structure in one. The GECDS performs a wide range displacement measurement without precision reduction. This paper proposes an analytical modeling approach for the GECDS. The solution model is established in the Cartesian coordinate system, and the solving domain is limited to finite extents by using the truncated region eigenfunction expansion method. Based on the second order vector potential, expressions for the electromagnetic field as well as coil impedance related to the displacement can be expressed in closed-form. Theoretical results are then confirmed by experiments, which prove the suitability and effectiveness of the analytical modeling approach.

  16. Analysis of variance of an underdetermined geodetic displacement problem

    Energy Technology Data Exchange (ETDEWEB)

    Darby, D.

    1982-06-01

    It has been suggested recently that point displacements in a free geodetic network traversing a strike-slip fault may be estimated from repeated surveys by minimizing only those displacement components normal to the strike. It is desirable to justify this procedure. We construct, from estimable quantities, a deformation parameter which is an F-statistic of the type occurring in the analysis of variance of linear models not of full rank. A test of its significance provides the criterion to justify the displacement solution. It is also interesting to study its behaviour as one varies the supposed strike of the fault. Justification of a displacement solution using data from a strike-slip fault is found, but not for data from a rift valley. The technique can be generalized to more complex patterns of deformation such as those expected near the end-zone of a fault in a dislocation model.

  17. Evolution of specialization and ecological character displacement: metabolic plasticity matters.

    NARCIS (Netherlands)

    C.J.M. Egas

    2005-01-01

    An important question in evolutionary biology, especially with respect to herbivorous arthropods, is the evolution of specialization. In a previous paper, the combined evolutionary dynamics of specialization and ecological character displacement was studied, focusing on the role of herbivore foragin

  18. Effects of Displacement in Children Exposed to Disasters.

    Science.gov (United States)

    Pfefferbaum, Betty; Jacobs, Anne K; Van Horn, Richard L; Houston, J Brian

    2016-08-01

    The literature on children's responses to disasters is well developed with increasing attention to the confounding experiences of displacement. This paper presents an overview of the emotional and behavioral effects of displacement on children and adolescents and describes their educational adjustment in terms of both academic achievement and school behavior. A summary of family effects elucidates how children's functioning is influenced through the family system in which they are embedded. The psychosocial impact of displacement reflects the myriad social losses that children and their families may face. Information from this review of the current literature on the effects of displacement may inform the design and delivery of support and intervention services for children and families following disasters. PMID:27287465

  19. The displaced claiming their rights in fragile states

    OpenAIRE

    Antonia Mulvey

    2013-01-01

    To date, displaced persons in fragile and conflict-affected stateshave had little success in claiming their rights for housing, land andproperty violations. Creative legal thinking and strategic litigation has the potential to change this.

  20. Displaced Electric Sail Orbits Design and Transition Trajectory Optimization

    Directory of Open Access Journals (Sweden)

    Naiming Qi

    2014-01-01

    Full Text Available Displaced orbits for spacecraft propelled by electric sails are investigated as an alternative to the use of solar sails. The orbital dynamics of electric sails based spacecraft are studied within a spherical coordinate system, which permits finding the solutions of displaced electric sail orbits and optimize transfer trajectory. Transfer trajectories from Earth's orbit to displaced orbit are also studied in an optimal framework, by using genetic algorithm and Gauss pseudospectral method. The initial guesses for the state and control histories used in the Gauss pseudospectral method are interpolated from the best solution of a genetic algorithm. Numerical simulations show that the electric sail is able to perform the transfer from Earth’s orbit to displaced orbit in acceptable time, and the hybrid optimization method has the capability to search the feasible and optimal solution without any initial value guess.

  1. Theoretical study of aromaticity in inorganic tetramer clusters

    Indian Academy of Sciences (India)

    Sandeep Nigam; Chiranjib Majumder; S K Kulshreshtha

    2006-11-01

    Ground state geometry and electronic structure of M$^{2-}_{4}$ cluster (M = B, Al, Ga) have been investigated to evaluate their aromatic properties. The calculations are performed by employing the Density Functional Theory (DFT) method. It is found that all these three clusters adopt square planar configuration. Results reveal that square planar M$^{2-}_{4}$ dianion exhibits characteristics of multifold aromaticity with two delocalised -electrons. In spite of the unstable nature of these dianionic clusters in the gas phase, their interaction with the sodium atoms forms very stable dipyramidal M4Na2 complexes while maintaining their square planar structure and aromaticity.

  2. Two-state displacement by the kinesin-14 Ncd stalk

    OpenAIRE

    Hallen, Mark A; Liang, Zhang-Yi; Endow, Sharyn A.

    2011-01-01

    The nonprocessive kinesin-14 Ncd motor binds to microtubules and hydrolyzes ATP, undergoing a single displacement before releasing the microtubule. A lever-like rotation of the coiled-coil stalk is thought to drive Ncd displacements or steps along microtubules. Crystal structures and cryoelectron microscopy reconstructions imply that stalk rotation is correlated with ADP release and microtubule binding by the motor. Here we report FRET assays showing that the end of the stalk is more than ~9 ...

  3. Non-affine displacements in flexible polymer networks

    OpenAIRE

    Basu, Anindita; Wen, Qi; Mao, Xiaoming; Lubensky, T. C.; Janmey, Paul A.; Yodh, A. G.

    2010-01-01

    The validity of the affine assumption in model flexible polymer networks is explored. To this end, the displacements of fluorescent tracer beads embedded in polyacrylamide gels are quantified by confocal microscopy under shear deformation, and the deviations of these displacements from affine responses are recorded. Non-affinity within the gels is quantified as a function of polymer chain density and cross-link concentration. Observations are in qualitative agreement with current theories of ...

  4. Dispersive effects of transverse displacements of SLC Arc magnets

    International Nuclear Information System (INIS)

    The SLC Arc magnets are subject to random displacements and field errors resulting in unpredictable transverse displacement of the central trajectory from that of the design. The chosen method of correcting this perturbed trajectory in the SLC Arcs utilizes mechanical movement of the combined function magnets which compose the Arc transport lines. Here we present the results of a recent investigation substantiating the earlier results which led to the adoption of this method

  5. Adaptation and mental-hygienic characteristics of internally displaced adolescents

    OpenAIRE

    Maksimović Miloš; Kocijančić Radojka; Backović Dušan; Ille Tatjana; Paunović Katarina

    2005-01-01

    The change in socio-economic status, drastic decrease in living standards, war, and the introduction of sanctions to our country were complicated in addition by a large number of internally displaced people from Kosovo, which culminated with the 1999 NATO bombing. The aim of this investigation was to estimate the influence of internal displacement on the adaptation and mental health of adolescents. The investigation was conducted on 238 adolescents, comprising a control group of 206 adolescen...

  6. Forest transitions, trade, and the global displacement of land use

    OpenAIRE

    Meyfroidt, Patrick; Rudel, Thomas K.; Lambin, Eric

    2010-01-01

    Reducing tropical deforestation is an international priority, given its impacts on carbon emissions and biodiversity. We examined whether recent forest transitions—a shift from net deforestation to net reforestation—involved a geographic displacement of forest clearing across countries through trade in agricultural and forest products. In most of the seven developing countries that recently experienced a forest transition, displacement of land use abroad accompanied local reforestation. Addit...

  7. Displacement-Noise-Free Gravitational-Wave Detection

    OpenAIRE

    Kawamura, Seiji; Chen, Yanbei

    2004-01-01

    We present a new idea that allows us to detect gravitational waves without being disturbed by any kind of displacement noise, based on the fact that gravitational waves and test-mass motions affect the propagations of light differently. We demonstrate this idea by analyzing a simple toy model consisting three equally-separated objects on a line. By taking a certain combination of light travel times between these objects, we construct an observable free from the displacement of each object whi...

  8. Linear displacement measurement with a grating and speckle pattern illumination

    International Nuclear Information System (INIS)

    We present a study of the variations of a speckle pattern passing through a grating that can be displaced. This study is described theoretically by a simple model based on the scalar diffraction theory in the Fresnel zone. The intensity correlation of the modified speckle as a function of the grating displacement is obtained and compared with experimental results.The possibilities of metrological applications in optical encoders are suggested

  9. Linear displacement measurement with a grating and speckle pattern illumination

    Science.gov (United States)

    Perez-Quintián, Fernando; Lutenberg, Ariel; Rebollo, María A.

    2006-07-01

    We present a study of the variations of a speckle pattern passing through a grating that can be displaced. This study is described theoretically by a simple model based on the scalar diffraction theory in the Fresnel zone. The intensity correlation of the modified speckle as a function of the grating displacement is obtained and compared with experimental results. The possibilities of metrological applications in optical encoders are suggested.

  10. Urban revitalization and displacement: types, causes, and public policy

    Energy Technology Data Exchange (ETDEWEB)

    Feagin, J.R.

    1981-05-01

    The policy research report reviews the scholarly and print media literatures on urban revitalization. The extent of revitalization; the incumbent or occupant upgrading; gentrification (displacement of low- and moderate-income households by better-off households); gentrification and displacement from all causes; and the role of powerful actors in revitalization are discussed. Public policy dealing with land use and development in urban areas is discussed. Future research needs are indicated.

  11. Character displacement in the fighting colours of Hetaerina damselflies

    OpenAIRE

    Anderson, C. N; Grether, G. F.

    2010-01-01

    Aggression between species is a seldom-considered but potentially widespread mechanism of character displacement in secondary sexual characters. Based on previous research showing that similarity in wing coloration directly influences interspecific territorial aggression in Hetaerina damselflies, we predicted that wing coloration would show a pattern of character displacement (divergence in sympatry). A geographical survey of four Hetaerina damselfly species in Mexico and Texas showed evidenc...

  12. Origins of displacements caused by underground nuclear explosions

    International Nuclear Information System (INIS)

    Elastic theory has been used to calculate the relative displacement that will occur between the two sides of a loose boundary when a plane wave strikes the boundary obliquely. The calculations suggest that the displacements produced along loose fractures and faults close in to the underground nuclear explosions are a direct consequence of reflection of the transient stress wave at this loose boundary. Quantitatively the results agree fairly well with the limited data that are available. (author)

  13. MRI anatomy of anteriorly displaced anus: what obstructs defecation?

    Energy Technology Data Exchange (ETDEWEB)

    AbouZeid, Amr Abdelhamid [Ain-Shams University, Department of Pediatric Surgery, Cairo (Egypt); Mohammad, Shaimaa Abdelsattar; Khairy, Khaled Talaat [Ain-Shams University, Department of Radiodiagnosis, Cairo (Egypt)

    2014-07-15

    Anteriorly displaced anus is an anomaly that is debated with regard to its nomenclature, diagnosis and management. To describe MRI anatomy of the anal canal in children with anteriorly displaced anus and its impact on the process of defecation. We prospectively examined ten children (7 girls, 3 boys; age range 7 months to 8 years, mean 3 years) with anteriorly displaced anus between August 2009 and April 2012. Noncontrast MRI examinations were performed on a 1.5-T magnet. T1- and T2-weighted turbo spin-echo images were acquired in axial, sagittal and coronal planes of the pelvis. The anorectal angle and the relative hiatal distance were measured in mid-sagittal images, and compared with those of a control group using the Mann-Whitney test. In children with anteriorly displaced anus, no anatomical abnormality was depicted at the level of the proximal anal canal. However, the distal anal canal was displaced anteriorly, running out its external muscle cuff, which remained un-displaced at the usual site of the anus. This changes the orientation of the central axis of the anal canal by passing across instead of along the fibers of the longitudinal muscle coat. Children with anteriorly displaced anus had a more obtuse anorectal angle (mean 112.1 ), which was significantly greater than that of the control group (mean 86.2 ). MRI is a valuable tool in studying the anatomy of the anal canal in children with anteriorly displaced anus. The abnormal orientation of the longitudinal muscle across the anal canal can explain the obstructed defecation in these children. Based on this study, it might be of interest to use MRI in studying equivocal cases and children with unexplained constipation. (orig.)

  14. Software for determining the true displacement of faults

    Science.gov (United States)

    Nieto-Fuentes, R.; Nieto-Samaniego, Á. F.; Xu, S.-S.; Alaniz-Álvarez, S. A.

    2014-03-01

    One of the most important parameters of faults is the true (or net) displacement, which is measured by restoring two originally adjacent points, called “piercing points”, to their original positions. This measurement is not typically applicable because it is rare to observe piercing points in natural outcrops. Much more common is the measurement of the apparent displacement of a marker. Methods to calculate the true displacement of faults using descriptive geometry, trigonometry or vector algebra are common in the literature, and most of them solve a specific situation from a large amount of possible combinations of the fault parameters. True displacements are not routinely calculated because it is a tedious and tiring task, despite their importance and the relatively simple methodology. We believe that the solution is to develop software capable of performing this work. In a previous publication, our research group proposed a method to calculate the true displacement of faults by solving most combinations of fault parameters using simple trigonometric equations. The purpose of this contribution is to present a computer program for calculating the true displacement of faults. The input data are the dip of the fault; the pitch angles of the markers, slickenlines and observation lines; and the marker separation. To prevent the common difficulties involved in switching between operative systems, the software is developed using the Java programing language. The computer program could be used as a tool in education and will also be useful for the calculation of the true fault displacement in geological and engineering works. The application resolves the cases with known direction of net slip, which commonly is assumed parallel to the slickenlines. This assumption is not always valid and must be used with caution, because the slickenlines are formed during a step of the incremental displacement on the fault surface, whereas the net slip is related to the finite slip.

  15. A novel approach to modeling unstable EOR displacements. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Peters, E.J.

    1994-04-01

    Most enhanced oil recovery schemes involve the displacement of a more dense and more viscous oil by a less dense and less viscous fluid in a heterogeneous porous medium. The interaction of heterogeneity with the several competing forces, namely, viscous, capillary, gravitational, and dispersive forces, can conspire to make the displacements unstable and difficult to model and to predict. The objective of this research was to develop a systematic methodology for modeling unstable fluid displacements in heterogeneous media. Flow visualization experiments were conducted using X-ray computed tomography imaging and a video imaging workstation to gain insights into the dynamics of unstable displacements, acquire detailed quantitative experimental image data for calibrating numerical models of unstable displacements, and image and characterize heterogeneities in laboratory cores geostatistically. High-resolution numerical models modified for use on vector-architecture supercomputers were used to replicate the image data. Geostatistical models of reservoir heterogeneity were incorporated in order to study the interaction of hydrodynamic instability and heterogeneity in reservoir displacements. Finally, a systematic methodology for matching the experimental data with the numerical models and scaling the laboratory results to other systems were developed. The result is a new method for predicting the performance of unstable EOR displacements in the field based on small-scale displacements in the laboratory. The methodology is general and can be applied to forecast the performance of most processes that involve fluid flow and transport in porous media. Therefore, this research should be of interest to those involved in forecasting the performance of enhanced oil recovery processes and the spreading of contaminants in heterogeneous aquifers.

  16. Yes, And... The Improvising Landscape of the Displaced

    OpenAIRE

    Javaherigilani, Eliana

    2016-01-01

    Immigration has continuously been an evident part of the human history. Throughout time, for one reason or another people have left the place they call home. Whether voluntarily seeking better opportunities in other cities/countries/continents, or forcefully being asked to leave due to political, social, or natural issues, resettlement continues to be a difficult challenge for those who are displaced. The issue, human displacement, whether caused by natural disasters or political/social ...

  17. Technique for Determining Bridge Displacement Response Using MEMS Accelerometers.

    Science.gov (United States)

    Sekiya, Hidehiko; Kimura, Kentaro; Miki, Chitoshi

    2016-01-01

    In bridge maintenance, particularly with regard to fatigue damage in steel bridges, it is important to determine the displacement response of the entire bridge under a live load as well as that of each member. Knowing the displacement response enables the identification of dynamic deformations that can cause stresses and ultimately lead to damage and thus also allows the undertaking of appropriate countermeasures. In theory, the displacement response can be calculated from the double integration of the measured acceleration. However, data measured by an accelerometer include measurement errors caused by the limitations of the analog-to-digital conversion process and sensor noise. These errors distort the double integration results. Furthermore, as bridges in service are constantly vibrating because of passing vehicles, estimating the boundary conditions for the numerical integration is difficult. To address these problems, this paper proposes a method for determining the displacement of a bridge in service from its acceleration based on its free vibration. To verify the effectiveness of the proposed method, field measurements were conducted using nine different accelerometers. Based on the results of these measurements, the proposed method was found to be highly accurate in comparison with the reference displacement obtained using a contact displacement gauge. PMID:26907287

  18. Technique for Determining Bridge Displacement Response Using MEMS Accelerometers

    Directory of Open Access Journals (Sweden)

    Hidehiko Sekiya

    2016-02-01

    Full Text Available In bridge maintenance, particularly with regard to fatigue damage in steel bridges, it is important to determine the displacement response of the entire bridge under a live load as well as that of each member. Knowing the displacement response enables the identification of dynamic deformations that can cause stresses and ultimately lead to damage and thus also allows the undertaking of appropriate countermeasures. In theory, the displacement response can be calculated from the double integration of the measured acceleration. However, data measured by an accelerometer include measurement errors caused by the limitations of the analog-to-digital conversion process and sensor noise. These errors distort the double integration results. Furthermore, as bridges in service are constantly vibrating because of passing vehicles, estimating the boundary conditions for the numerical integration is difficult. To address these problems, this paper proposes a method for determining the displacement of a bridge in service from its acceleration based on its free vibration. To verify the effectiveness of the proposed method, field measurements were conducted using nine different accelerometers. Based on the results of these measurements, the proposed method was found to be highly accurate in comparison with the reference displacement obtained using a contact displacement gauge.

  19. Pattern of dynamic displacements in a strike-slip earthquake

    Science.gov (United States)

    Saltogianni, V.; Gianniou, M.; Moschas, F.; Stiros, S.

    2016-07-01

    High-rate (1 Hz) records from GPS stations uniformly distributed along the fault ruptures of the 2014 Samothraki-Gökçeada Mw6.9 earthquake in the North Aegean Trough, at the extension of the North Anatolian Fault Zone, were analyzed using the Precise Point Positioning (PPP) technique. Computed dynamic displacements shed light to the pattern of dynamic displacements during shallow strike-slip earthquakes. The area of near-field static seismic displacements bounds ramp-type, long-period dynamic displacements (fling steps) in the sense of static displacements. Along-fault and normal to fault components of dynamic displacement follow typical attenuation laws, but attenuation is higher in the fault-parallel component hence confined to the area of static dislocations. Forward directivity and local, especially topography-controlled amplification effects, consistent with accelerometer evidence, were also observed. The overall pattern seems to characterize shallow strike-slip earthquakes and is expected to prove useful to explain or even predict the near-field damaging potential of strike-slip earthquakes.

  20. Additional longitudinal displacement for contaminant dispersion in wetland flow

    Science.gov (United States)

    Fu, Xudong; Gao, Ran; Wu, Zi

    2016-01-01

    When there is a sudden and uniform release of contaminant over the depth of wetland, the centroid of resulted solute cloud will travel downstream at the cross-sectional mean velocity of the flow. However, if the initial release is not uniform, there will be an additional longitudinal displacement of the centroid, which is important for predicting the concentration distribution but cannot be revealed by the classical one-dimensional Taylor dispersion model. For the most typical case of an initial point source release at the free-water-surface of the wetland, an idealized case modeling accidental leakage of toxic chemicals in waters, in the present paper we analytically deduce the longitudinal displacement by the method of concentration moment. The result is then incorporated in the analytical solutions of concentration distribution, which are further verified by our numerical simulations. The effects of the longitudinal displacement on the concentration distribution are analyzed in detail. It is shown that without considering the displacement, for vertical planes close to the edges of the contaminant cloud, the analytical solution can over- or under-estimate the vertical distribution of concentration for over 20% of the maximum concentration in the plane even at a large dimensionless time of t∗ = 5 . The longitudinal displacement is shown to decrease with the increase of the important damping factor α, which characterizes the effects of vegetation in wetlands. A simple application is given at the end of this paper to illustrate the evolution of the additional longitudinal displacement.

  1. A wireless laser displacement sensor node for structural health monitoring.

    Science.gov (United States)

    Park, Hyo Seon; Kim, Jong Moon; Choi, Se Woon; Kim, Yousok

    2013-01-01

    This study describes a wireless laser displacement sensor node that measures displacement as a representative damage index for structural health monitoring (SHM). The proposed measurement system consists of a laser displacement sensor (LDS) and a customized wireless sensor node. Wireless communication is enabled by a sensor node that consists of a sensor module, a code division multiple access (CDMA) communication module, a processor, and a power module. An LDS with a long measurement distance is chosen to increase field applicability. For a wireless sensor node driven by a battery, we use a power control module with a low-power processor, which facilitates switching between the sleep and active modes, thus maximizing the power consumption efficiency during non-measurement and non-transfer periods. The CDMA mode is also used to overcome the limitation of communication distance, which is a challenge for wireless sensor networks and wireless communication. To evaluate the reliability and field applicability of the proposed wireless displacement measurement system, the system is tested onsite to obtain the required vertical displacement measurements during the construction of mega-trusses and an edge truss, which are the primary structural members in a large-scale irregular building currently under construction. The measurement values confirm the validity of the proposed wireless displacement measurement system and its potential for use in safety evaluations of structural elements. PMID:24084114

  2. Protonation of azines and purines as a model for the electrophilic aromatic substitution - rationalization by triadic formula.

    Science.gov (United States)

    Vianello, Robert

    2011-09-01

    First gas-phase carbon proton affinities of eleven azines and purines (pyrrole, pyrazole, imidazole, pyridine, pyridazine, pyrimidine, pyrazine, bicyclic purine, pyridine-N-oxide, 2-aminopyrimidine and uracil) were calculated by a composite G3B3 methodology and used to probe their susceptibility to undergo electrophilic aromatic substitution (EAS), taking benzene as a reference molecule. The results revealed excellent agreement with the available experimental data and were interpreted using the triadic approach. We found out that pyrroles, which are more reactive towards EAS reaction than benzene, are stronger carbon bases than the latter compound, whereas pyridines exhibit lower carbon basicity, being at the same time less reactive toward substitution by electrophiles than benzene. In all of the investigated molecules the frontier orbital describing the corresponding p-electron density at the carbon atom to be protonated is HOMO as calculated by the HF/G3large//B3LYP/6-31G(d) level of theory. Our results are in a disagreement with the work by D'Auria (M. D'Auria, Tetrahedron Lett. 2005, 46, 6333-6336; Lett. Org. Chem. 2005, 2, 659-661), who at B3LYP/6-311+G(d, p) level found out that in some of systems investigated here the HOMO orbital is not of -symmetry, which was used to rationalize the lower reactivity of these systems towards EAS. It turned out that energies of HOMO orbitals alone correlate very poorly with carbon proton affinities, unlike the difference in proton affinities between the most basic carbon atom and thermodynamically the most favourable site of protonation, which performs much better. Triadic analysis demonstrated the importance of considering a complete picture of the protonation process and all three terms appearing in the triadic scheme individually when discussing trends in basicity/nucleophilicity of closely related molecules. PMID:24062111

  3. Beam steering and coordinate system rotation improves accuracy of ultrasonic measurements of tissue displacement vector and lateral displacement

    Directory of Open Access Journals (Sweden)

    Sumi C

    2011-11-01

    Full Text Available Chikayoshi Sumi1,2, Kento Ichimaru2, Yusuke Shinozuka21Department of Information and Communication Science, 2Department of Electrical and Electronics Engineering, Faculty of Science and Technology, Sophia University, Kioi-cho, Chiyoda-ku, Tokyo, JapanAbstract: With the proper use of beam steering and apodization, a higher resolution lateral echo image is obtained than with conventional imaging. This is achieved by superimposing crossed, steered beams, which is referred to as “lateral modulation” (LM. This type of beamforming achieves almost the same accuracy in lateral displacement measurements as in axial displacement measurements, ie, displacement vector measurements. The steering angle (ASTA can also be used instead of LM, which uses only beams with a steering angle. In this report, the accuracy of the displacement vectors and lateral displacement measurements for LM and ASTA were evaluated using simulations and agar phantom experiments. The parameters used were direction of a displacement vector, steering angles, and rotation angle for the coordinate system. Changes in the steering angle and rotation angle of the coordinate system permit control of frequencies in the respective directions of the coordinate axes. As shown, when performing a simple ASTA for displacement vector measurement, a spectra frequency division should be performed using a previously developed multidimensional autocorrelation or Doppler method instead of block-matching methods. In this version of ASTA, the combination of nonsteering and rotation of the coordinate system is also effective, because the lateral bandwidth does not decrease. In such a case, transmission of a laterally wide wave will also be effective, particularly for three-dimensional measurement/imaging using a two-dimensional array transducer. ASTA can also be used for accurate lateral displacement measurements. Although a proper beam steering and/or a proper coordinate rotation improves the

  4. Application of aromatization catalyst in synthesis of carbon nanotubes

    Indian Academy of Sciences (India)

    Song Rongjun; Yang Yunpeng; Ji Qing; Li Bin

    2012-02-01

    In a typical chemical vapour deposition (CVD) process for synthesizing carbon nanotubes (CNTs), it was found that the aromatization catalysts could promote effectively the formation of CNT. The essence of this phenomenon was attributed to the fact that the aromatization catalyst can accelerate the dehydrogenation–cyclization and condensation reaction of carbon source, which belongs to a necessary step in the formation of CNTs. In this work, aromatization catalysts, H-beta zeolite, HZSM-5 zeolite and organically modified montmorillonite (OMMT) were chosen to investigate their effects on the formation of multi-walled carbon nanotubes (MWCNTs) via pyrolysis method when polypropylene and 1-hexene as carbon source and Ni2O3 as the charring catalyst. The results demonstrated that the combination of those aromatization catalysts with nickel catalyst can effectively improve the formation of MWCNTs.

  5. Affinity labelling enzymes with esters of aromatic sulfonic acids

    Science.gov (United States)

    Wong, Show-Chu; Shaw, Elliott

    1977-01-01

    Novel esters of aromatic sulfonic acids are disclosed. The specific esters are nitrophenyl p- and m-amidinophenylmethanesulfonate. Also disclosed is a method for specific inactivation of the enzyme, thrombin, employing nitrophenyl p-amidinophenylmethanesulfonate.

  6. Six-Membered Aromatic Polyazides: Synthesis and Application

    Directory of Open Access Journals (Sweden)

    Sergei V. Chapyshev

    2015-10-01

    Full Text Available Aromatic polyazides are widely used as starting materials in organic synthesis and photochemical studies, as well as photoresists in microelectronics and as cross-linking agents in polymer chemistry. Some aromatic polyazides possess high antitumor activity, while many others are of considerable interest as high-energy materials and precursors of high-spin nitrenes and C3N4 carbon nitride nanomaterials. The use of aromatic polyazides in click-reactions may be a new promising direction in the design of various supramolecular systems possessing interesting chemical, physical and biological properties. This review is devoted to the synthesis, properties and applications of six-membered aromatic compounds containing three and more azido groups in the ring.

  7. THE UPTAKE OF AROMATIC AND BRANCHED CHAIN HYDROCARBONS BY YEAST

    Science.gov (United States)

    Studies of the hydrocarbon utilizing yeasts, Candida maltosa and C. lipolytica, have shown that both were capable of reducing recoverable amounts of branched chain and aromatic hydrocarbons in a mixture of naphthalene, tetradecane, hexadecane, pristane (tetra-methylpentadecane). ...

  8. Aromatic Plants as a Source of Bioactive Compounds

    Directory of Open Access Journals (Sweden)

    Panagiota Florou-Paneri

    2012-09-01

    Full Text Available Aromatic plants, also known as herbs and spices, have been used since antiquity as folk medicine and as preservatives in foods. The best known aromatic plants, such as oregano, rosemary, sage, anise, basil, etc., originate from the Mediterranean area. They contain many biologically active compounds, mainly polyphenolics, which have been found to possess antimicrobial, antioxidant, antiparasitic, antiprotozoal, antifungal, and anti-inflammatory properties. Currently, the demand for these plants and their derivatives has increased because they are natural, eco-friendly and generally recognized as safe products. Therefore, aromatic plants and their extracts have the potential to become new generation substances for human and animal nutrition and health. The purpose of this review is to provide an overview of the literature surrounding the in vivo and in vitro use of aromatic plants.

  9. Provisional Guidance for Quantitative Risk Assessment of Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Polycyclic Aromatic Hydrocarbons (PAHs) are products of incomplete combustion of organic materials; sources are, thus, widespread,including cigarette smoke, municipal waste incineration, wood stove emissions, coal conversion, energy production form fossil fuels, and automobile an...

  10. Synthesis and characterization of organosoluble aromatic copolyimids

    Institute of Scientific and Technical Information of China (English)

    YANG Jintian; HUANG Wei; ZHOU Yongfeng; YAN Deyue

    2007-01-01

    A series of aromatic copolyimides was success fully synthesized from the commercial pyromellitic dianhy dride (PMDA) with a commercial diamine p-phenyldiamine (PDA) and a diamine 4,4'-methylenebis-(2-tert-butylaniline)(MBTBA) specially designed by the authors.The copoly imides were characterized by Infra-red (IR),Nuclear Magnetic Resonance (NMR),Gel Permeation Chromato graphy (GPC),Ultraviolet Visual (UV-Vis),Thermogra vimetic Analysis (TGA) and Dynamic Mechanical Analysis (DMA).The copolyimide was precipitated in m-cresol in the polymerization process when the molar ratio of MBTBA and PDA was lower than 6/4.The number-average molecular weight of the soluble copolyimides measured by GPC was larger than 4.0 x 104,and the polydispersity index was higher than 1.5.Only one glass transition temperature of these copolyimdies was detected around 360℃ by DMA.The copolyimides did not show appreciable decomposition up to 500℃ under N2,and the thermal stability of the copolyimide increased a little with the introduction of PDA into the polyimide main chain.

  11. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.

    2012-01-06

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  12. [Polycyclic aromatic hydrocarbons exposure and birth defects].

    Science.gov (United States)

    Lin, S S; Huang, Y; Wang, C Y; Ren, A G

    2016-06-01

    Birth defects are one of the most common adverse birth outcomes, which create a heavy economic burden to the country, society and family. And they are also one of the biggest problems facing public health today. Polycyclic aromatic hydrocarbons (PAHs) are a group of toxic pollutants existing in the environment widely, resulting from incomplete organic matter combustion, and can be taken into the body through various ways including the digestive tract, respiratory tract and so on. Recent researches suggest that the exposure of PAHs may be associated with various birth defects, while the special mechanism isn't very clear. This paper is a review of the relationship between PAHs and birth defects from the aspects of epidemiological data, experimental evidence on animals, which indicates that exposure of PAHs during pregnancy may be associated with birth defects including congenital heart defects, neural tube defects and cleft lip/plate. Furthermore, we explored the possible mechanism, including oxidative stress, oxidative damage and the changes of signal transduction pathway in order to provide some recommendations and suggestions on the future work. PMID:27256742

  13. Optimization of low ring polycylic aromatic biodegradation

    Science.gov (United States)

    Othman, N.; Abdul-Talib, S.; Tay, C. C.

    2016-07-01

    Polycyclic aromatic hydrocarbons (PAHs) are recalcitrance and persistence that finally turn into problematic environmental contaminants. Microbial degradation is considered to be the primary mechanism of PAHs removal from the environment due to its organic criteria. This study is carried out to optimize degradation process of low ring PAHs. Bacteria used in this study was isolated from sludge collected from Kolej Mawar, Universiti Teknologi MARA, Shah Alam, Selangor. Working condition namely, substrate concentration, bacteria concentration, pH and temperature were optimized. PAHs in the liquid sample was extracted by using solid phase microextractio equipped with a 7 µm polydimethylsiloxane (PDMS) SPME fibr. Removal of PAHs were assessed by measuring PAHs concentration using GC-FID. Results from the optimization study of biodegradation indicated that maximum rate of PAHs removal occurred at 100 mgL-1 of PAHs, 10% bacteria concentration, pH 7.0 and 30°C. These working condition had proved the effectiveness of using bacteria in biodegradation process of PAHs.

  14. Polycyclic aromatic hydrocarbon molecules in astrophysics

    Science.gov (United States)

    Rastogi, Shantanu; Pathak, Amit; Maurya, Anju

    2013-06-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are responsible for the mid-infrared emission features. Their ubiquitous presence in almost all types of astrophysical environments and related variations in their spectral profilesmake them an important tool to understand the physics and chemistry of the interstellar medium. The observed spectrum is generally a composite superposition of all different types of PAHs possible in the region. In the era of space telescopes the spectral richness of the emission features has enhanced their importance as probe and also the need to understand the variations with respect to PAH size, type and ionic state. Quantum computational studies of PAHs have proved useful in elucidating the profile variations and put constraints on the possible types of PAHs in different environments. The study of PAHs has also significantly contributed to the problems of diffuse interstellar bands (DIBs), UV extinction and understanding the chemistry of the formation of complex organics in space. The review highlights the results of various computational models for the understanding of infrared emission features, the PAH-DIB relation, formation of prebiotics and possible impact in the understanding of far-infrared features.

  15. Saudi decree encourages MTBE, Chevron aromatics plant

    International Nuclear Information System (INIS)

    Chevron Chemical (Houston), encouraged by a new Saudi royal decree that establishes extremely low feedstock prices, is in final negotiations to build a novel aromatics plant in Saudi Arabia. Chevron says it plans to close the deal and announce details the first week of March. The unit will be based on Chevron's Aromax reforming process, which uses a zeolite catalyst to convert light naphtha into benzene and toluene. No existing plant is using the technology, but Chevron is building a $250-million, 150-million gal/year Aromax unit at its refinery site in Pascagoula, MS, and Idemitsu has licensed the process for a plant in Chiba, Japan. The Saudi decree, issued late last year, pegs domestic feedstocks - propane, butane, and naphthas - at 30% below the lowest price of the prior quarter in major non-domestic markets. That clarifies and guarantees the Saudi feedstock price, which has always been nebulous, and thus allows project feasibility to be more clearly assessed. The decree is designed to encourage further private petrochemical investment in the country. In particular, the Saudi government hopes guaranteed low prices for butane will encourage more methyl tert-butyl ether (MTBE) projects. Arabian American Chemical, a 50/50 joint venture between Mobile and Arabian Chemical Investments, said in October of last year that its 830,000-m.t./year MTBE project at Yanbu, Saudi Arabia, would go ahead if feedstock questions could be resolved. The decree apparently resolves those questions

  16. Aromatizing unzipping polyester for EUV photoresist

    Science.gov (United States)

    Matsuzawa, Kensuke; Mesch, Ryan; Olah, Mike; Wang, Wade; Phillips, Scott T.; Willson, C. Grant

    2015-03-01

    New "self-immolating" or "unzipping" polymers, materials that depolymerize in response to irradiation, were designed and prepared successfully. We studied several candidate polymers and ultimately chose two of them for further development. One is a polyester that aromatizes upon depolymerization. The unzipping reaction initiated by UV exposure in solution was confirmed. The polymer was then studied in thin films to assess its potential for use in formulating photoresists. The neat polymer was tested as a blend with novolac resin. The effect of unzipping polyester loading in novolac on the rate of dissolution of films in TMAH was studied. Inhibition occurs at 20-30% loading. The films were exposed with DUV light and patterning was observed. The sensitivity of the unzipping polyester formulation is low in part due to the low absorption of the polymer for UV light. However, the polymer showed higher sensitivity with EUV exposure and first contrast curves show sensitivity in the range of 20-25mJ/cm2.

  17. Coassembly of aromatic dipeptides into biomolecular necklaces.

    Science.gov (United States)

    Yuran, Sivan; Razvag, Yair; Reches, Meital

    2012-11-27

    This paper describes the formation of complex peptide-based structures by the coassembly of two simple peptides, the diphenylalanine peptide and its tert-butyl dicarbonate (Boc) protected analogue. Each of these peptides can self-assemble into a distinct architecture: the diphenylalanine peptide into tubular structures and its analogue into spheres. Integrated together, these peptides coassemble into a construction of beaded strings, where spherical assemblies are connected by elongated elements. Electron and scanning force microscopy demonstrated the morphology of these structures, which we termed "biomolecular necklaces". Additional experiments indicated the reversibility of the coassembly process and the stability of the structures. Furthermore, we suggest a possible mechanism of formation for the biomolecular necklaces. Our suggestion is based on the necklace model for polyelectrolyte chains, which proposes that a necklace structure appears as a result of counterion condensation on the backbone of a polyelectrolyte. Overall, the approach of coassembly, demonstrated using aromatic peptides, can be adapted to any peptides and may lead to the development and discovery of new self-assembled architectures formed by peptides and other biomolecules. PMID:23061818

  18. Solubilities of solid polycyclic aromatic hydrocarbons and polycyclic aromatic heterocycles in pressurized hot water

    Czech Academy of Sciences Publication Activity Database

    Karásek, Pavel; Planeta, Josef; Roth, Michal

    Boulder, CO: National Institute of Standards and Technology, 325 Broadway, Boulder, CO 80305, USA, 2006 - (Friend, D.; Frenkel, M.; Muzny, C.; Hardin, G.). s. 641-642 [International Conference on Chemical Thermodynamics /19./. THERMO International 2006. 30.07.2006-04.08.2006, Boulder, CO] R&D Projects: GA AV ČR IAA4031301; GA AV ČR KJB400310504; GA ČR GA203/05/2106 Keywords : aqueous solubility * pressurized hot water * polycyclic aromatic compounds Subject RIV: CF - Physical ; Theoretical Chemistry

  19. Measurement of Aromatic-hydrocarbons With the DOAS Technique

    OpenAIRE

    Axelsson, H; Eilard, A.; Emanuelsson, A.; Galle, B.; Edner, Hans; Ragnarson, P; Kloo, H

    1995-01-01

    Long-path DOAS (differential optical absorption spectroscopy) in the ultraviolet spectral region has been shown to be applicable for low-concentration measurements of light aromatic hydrocarbons. However, because of spectral interferences among different aromatics as well as with oxygen, ozone, and sulfur dioxide, the application of the DOAS technique for this group of components is not without problems. This project includes a study of the differential absorption characteristics, between 250...

  20. DNA-Catalyzed Hydrolysis of Esters and Aromatic Amides

    OpenAIRE

    Brandsen, Benjamin M.; Hesser, Anthony R.; Castner, Marissa A.; Chandra, Madhavaiah; Silverman, Scott K.

    2013-01-01

    We previously reported that DNA catalysts (deoxyribozymes) can hydrolyze DNA phosphodiester linkages, but DNA-catalyzed amide bond hydrolysis has been elusive. Here we used in vitro selection to identify DNA catalysts that hydrolyze ester linkages as well as DNA catalysts that hydrolyze aromatic amides, for which the leaving group is an aniline moiety. The aromatic amide-hydrolyzing deoxyribozymes were examined using linear free energy relationship analysis. The hydrolysis reaction is unaffec...

  1. Terahertz Spectroscopy of Biochars and Related Aromatic Compounds

    Science.gov (United States)

    Lepodise, L. M.; Horvat, J.; Lewis, R. A.

    2016-07-01

    A recent application of terahertz spectroscopy is to biochar, the agricultural charcoal produced by pyrolysis of various organic materials. Biochars simultaneously improve soil fertility and assist in carbon sequestration. Terahertz spectroscopy allows different biochars to be distinguished. However, the origin of the absorption features observed has not been clear. Given that biochar-based fertilizers are rich in aromatic compounds, we have investigated simple aromatic compounds as an approach to unravelling the complex biochar spectrum.

  2. Does toxicity of aromatic pollutants increase under remote atmospheric conditions?

    OpenAIRE

    Ana Kroflič; Miha Grilc; Irena Grgić

    2015-01-01

    Aromatic compounds contribute significantly to the budget of atmospheric pollutants and represent considerable hazard to living organisms. However, they are only rarely included into atmospheric models which deviate substantially from field measurements. A powerful experimental-simulation tool for the assessment of the impact of low- and semi-volatile aromatic pollutants on the environment due to their atmospheric aqueous phase aging has been developed and introduced for the first time. The c...

  3. Shifting from Agriculture to Agribusiness: The Case of Aromatic Plants

    OpenAIRE

    Mittal, Rashi; Singh, S. P.

    2007-01-01

    This study has examined the agribusiness opportunities in medicinal and aromatic plants (MAPs), based on the field level information from the state of Uttarakhand. The financial feasibility of important aromatic plants has been studied. It has been found that the returns are substantially higher from these crops than the most profitable commercial crops like sugarcane. The study has identified the constraints that affect the spread of cultivation of MAPs; these include inadequate processing c...

  4. Aromatic Plants as a Source of Bioactive Compounds

    OpenAIRE

    Panagiota Florou-Paneri; Ilias Giannenas; Eleftherios Bonos; Efterpi Christaki

    2012-01-01

    Aromatic plants, also known as herbs and spices, have been used since antiquity as folk medicine and as preservatives in foods. The best known aromatic plants, such as oregano, rosemary, sage, anise, basil, etc., originate from the Mediterranean area. They contain many biologically active compounds, mainly polyphenolics, which have been found to possess antimicrobial, antioxidant, antiparasitic, antiprotozoal, antifungal, and anti-inflammatory properties. Currently, the demand for these plant...

  5. Collection and conservation of medicinal and aromatic plants resources

    OpenAIRE

    Z. Abraham

    2011-01-01

    (Abstract selected from presentation in National Conference on Biodiversity of Medicinal and Aromatic Plants: Collection, Characterization and Utilization, held at Anand, India during November 24-25, 2010)Plant genetic resources have made substantial contributions to the domestication, utilization and improvement of all kinds of crops including medicinal and aromatic plants. Collection, characterization and  their efficient utilization are keys to efficient management of any kind of genetic r...

  6. Aromatic amine dehydrogenase, a second tryptophan tryptophylquinone enzyme.

    OpenAIRE

    Govindaraj, S; Eisenstein, E.; Jones, L. H.; Sanders-Loehr, J; Chistoserdov, A Y; Davidson, V L; Edwards, S. L.

    1994-01-01

    Aromatic amine dehydrogenase (AADH) catalyzes the oxidative deamination of aromatic amines including tyramine and dopamine. AADH is structurally similar to methylamine dehydrogenase (MADH) and possesses the same tryptophan tryptophylquinone (TTQ) prosthetic group. AADH exhibits an alpha 2 beta 2 structure with subunit molecular weights of 39,000 and 18,000 and with a quinone covalently attached to each beta subunit. Neither subunit cross-reacted immunologically with antibodies to the correspo...

  7. Aromatic VOCs global influence in the ozone production

    Science.gov (United States)

    Cabrera-Perez, David; Pozzer, Andrea

    2016-04-01

    Aromatic hydrocarbons are a subgroup of Volatile Organic Compounds (VOCs) of special interest in the atmosphere of urban and semi-urban areas. Aromatics form a high fraction of VOCs, are highly reactive and upon oxidation they are an important source of ozone. These group of VOCs are released to the atmosphere by processes related to biomass burning and fossil fuel consumption, while they are removed from the atmosphere primarily by OH reaction and by dry deposition. In addition, a branch of aromatics (ortho-nitrophenols) produce HONO upon photolysis, which is responsible of certain amount of the OH recycling. Despite their importance in the atmosphere in anthropogenic polluted areas, the influence of aromatics in the ozone production remains largely unknown. This is of particular relevance, being ozone a pollutant with severe side effects on air quality, health and climate. In this work the atmospheric impacts at global scale of the most emitted aromatic VOCs in the gas phase (benzene, toluene, xylenes, ethylbenzene, styrene, phenol, benzaldehyde and trimethylbenzenes) are analysed and assessed. Specifically, the impact on ozone due to aromatic oxidation is estimated, as this is of great interest in large urban areas and can be helpful for developing air pollution control strategies. Further targets are the quantification of the NOx loss and the OH recycling due to aromatic oxidation. In order to investigate these processes, two simulations were performed with the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model. The simulations compare two cases, one with ozone concentrations when aromatics are present or the second one when they are missing. Finally, model simulated ozone is compared against a global set of observations in order to better constrain the model accuracy.

  8. Studies on low-carrier radiofluorination of non-active aromatics with no-carrier-added [18F]fluoride

    International Nuclear Information System (INIS)

    In vivo imaging with positron emission tomography generally demands radiotracers with a high specific activity. In case of fluorine-18 the required no-carrier-added (n.c.a.) starting material is only available in form of fluoride. This and the short half-life of 109.7 minutes of the radionuclide lead to the demand of special methods for radiosyntheses. The only practical procedure for manufacturing n.c.a. [18F]fluoro-compounds is therefore nucleophilic substitution. There is, however, still a lack of effective procedures for the labelling of electron rich aromatic molecules starting from n.c.a. [18F]fluoride. A process for n.c.a. radiofluorination of these compounds is offered by the reaction of iodonium compounds as starting materials. In this study modern procedures for the synthesis of iodoniumsalts and -ylides were investigated. Several precursor molecules for the versatile synthetic building block 4-[18F]fluoroiodobenzene were synthesised. In this course, a new one-pot procedure for the synthesis of iodoniumylides was developed. Further on, the syntheses of suitable iodonium precursors for two fluorophenoxy-derivatives, which are possible antidepressants, were investigated. Due to their binding profile these compounds can be considered as ligands for the serotonin reuptake transporter (SERT) and the norepinephrin reuptake transporter (NET), respectively. The preparation of appropriate iodonium salts proved to be too problematic, while the synthesis of suitable iodoniumylides could be accomplished with satisfactory yields of about 30% and 40 %, respectively. Both compounds were labelled with n.c.a. [18F]fluoride and deprotected to the desired target compounds 4-((3-[18F]fluorophenoxy)(phenyl)methyl)piperidine and 4-((4-[18F]fluorophenoxy)(phenyl)methyl)piperidine in radiochemical yields of about 40 % and 25 %, respectively. Those are now available for preclinical evaluation studies. Furthermore, a process for the palladium catalysed synthesis of 18F

  9. Steering of H- ion beamlet by aperture displacement

    International Nuclear Information System (INIS)

    Focussing of multibeamlets produced from a large accelerator grid is a key issue of ion beam application to the neutral beam injector (NBI) of fusion devices. Another issue is highlighted in a case of negative ion based NBI to compensate beamlet deflection inside the extractor, where magnetic field is applied for suppression of electron extraction. Steering of H- beamlet was carried out by displacing apertures in an electrostatic extractor/accelerator composed of four grids, where the beam energy was in the range of ∼50 keV. Out of a few combination of grid displacement, displacement of ESG (3rd grid) and/or GRG (4th grid) was found to be successful: 1) The beamlet steering angle of 50 mrad was obtained by displacing the apertures of 9 mm dia. up to 3 mm. It was confirmed that the steering angle was proportional fairly well to the displacement. The characteristic of the steering, i.e., the steering angle as a function of displacement, agrees well with the analysis based on the linear optics theory. 2) Neither significant divergence growth nor the beam interception were observed in the steered beams over a wide range of operation. The H- beams, of which divergent angle was 5 mrad, was obtained even under the beamlet steering. Thus the steering by displacement is suitable for the focusing of negative ion beam generated from multi-aperture grids. 3) It was found that the steering angle was independent of the magnetic field direction in the present extractor structure. This is an advantage of the steering technique for compensation of the beam deflection inside the extractor by magnetic field. (author)

  10. Design of nanostructures based on aromatic peptide amphiphiles.

    Science.gov (United States)

    Fleming, Scott; Ulijn, Rein V

    2014-12-01

    Aromatic peptide amphiphiles are gaining popularity as building blocks for the bottom-up fabrication of nanomaterials, including gels. These materials combine the simplicity of small molecules with the versatility of peptides, with a range of applications proposed in biomedicine, nanotechnology, food science, cosmetics, etc. Despite their simplicity, a wide range of self-assembly behaviours have been described. Due to varying conditions and protocols used, care should be taken when attempting to directly compare results from the literature. In this review, we rationalise the structural features which govern the self-assembly of aromatic peptide amphiphiles by focusing on four segments, (i) the N-terminal aromatic component, (ii) linker segment, (iii) peptide sequence, and (iv) C-terminus. It is clear that the molecular structure of these components significantly influences the self-assembly process and resultant supramolecular architectures. A number of modes of assembly have been proposed, including parallel, antiparallel, and interlocked antiparallel stacking conformations. In addition, the co-assembly arrangements of aromatic peptide amphiphiles are reviewed. Overall, this review elucidates the structural trends and design rules that underpin the field of aromatic peptide amphiphile assembly, paving the way to a more rational design of nanomaterials based on aromatic peptide amphiphiles. PMID:25199102

  11. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen

    2013-01-01

    Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

  12. Detection of azo dyes and aromatic amines in women undergarment.

    Science.gov (United States)

    Nguyen, Thao; Saleh, Mahmoud A

    2016-07-28

    Women are exposed to several chemical additives including azo dyes that exist in textile materials, which are a potential health hazard for consumers. Our objective was to analyze suspected carcinogenic azo dyes and their degradation aromatic amines in women underwear panties using a fast and simple method for quantification. Here, we evaluated 120 different samples of women underwear for their potential release of aromatic amines to the skin. Seventy-four samples yielded low level mixtures of aromatic amines; however eighteen samples were found to produce greater than 200 mg/kg (ppm) of aromatic amines. Azo dyes in these 18 samples were extracted from the fabrics and analyzed by reverse phase thin layer chromatography in tandem with atmospheric pressure chemical ionization mass spectrometry. Eleven azo dyes were identified based on their mass spectral data and the chemical structure of the aromatic amine produced from these samples. We demonstrate that planar chromatography and mass spectrometry can be really helpful in confirming the identity of the azo dyes, offering highly relevant molecular information of the responsible compounds in the fabrics. With the growing concern about the consumer goods, analysis of aromatic amines in garments has become a highly important issue. PMID:27149414

  13. Aromatic stacking between nucleobase and enzyme promotes phosphate ester hydrolysis in dUTPase

    OpenAIRE

    Pecsi, Ildiko; Leveles, Ibolya; Harmat, Veronika; Vertessy, Beata G.; Toth, Judit

    2010-01-01

    Aromatic interactions are well-known players in molecular recognition but their catalytic role in biological systems is less documented. Here, we report that a conserved aromatic stacking interaction between dUTPase and its nucleotide substrate largely contributes to the stabilization of the associative type transition state of the nucleotide hydrolysis reaction. The effect of the aromatic stacking on catalysis is peculiar in that uracil, the aromatic moiety influenced by the aromatic interac...

  14. Characteristics of children with hip displacement in cerebral palsy

    Directory of Open Access Journals (Sweden)

    Wagner Philippe

    2007-10-01

    Full Text Available Abstract Background Hip dislocation in children with cerebral palsy (CP is a common and severe problem. The dislocation can be avoided, by screening and preventive treatment of children with hips at risk. The aim of this study was to analyse the characteristics of children with CP who develop hip displacement, in order to optimise a hip surveillance programme. Methods In a total population of children with CP a standardised clinical and radiological follow-up of the hips was carried out as a part of a hip prevention programme. The present study is based on 212 children followed until 9–16 years of age. Results Of the 212 children, 38 (18% developed displacement with Migration Percentage (MP >40% and further 19 (9% MP between 33 and 39%. Mean age at first registration of hip displacement was 4 years, but some hips showed MP > 40% already at two years of age. The passive range of hip motion at the time of first registration of hip displacement did not differ significantly from the findings in hips without displacement. The risk of hip displacement varied according to CP-subtype, from 0% in children with pure ataxia to 79% in children with spastic tetraplegia. The risk of displacement (MP > 40% was directly related to the level of gross motor function, classified according to the gross motor function classification system, GMFCS, from 0% in children in GMFCS level I to 64% in GMFCS level V. Conclusion Hip displacement in CP often occurs already at 2–3 years of age. Range of motion is a poor indicator of hips at risk. Thus early identification and early radiographic examination of children at risk is of great importance. The risk of hip displacement varies according to both CP-subtype and GMFCS. It is sometimes not possible to determine subtype before 4 years of age, and at present several definitions and classification systems are used. GMFCS is valid and reliable from 2 years of age, and it is internationally accepted. We recommend a hip

  15. Polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbons in particulates emitted by motorcycles

    International Nuclear Information System (INIS)

    We determined eleven PAHs and four NPAHs in particulates and regulated pollutants (CO, CO2, HC, NOx, PM) exhausted from motorcycles to figure out the characteristics of motorcycle exhausts. Fluoranthene and pyrene accounted for more than 50% of the total detected PAHs. Among four detected NPAHs, 6-nitrochrysene and 7-nitrobenz[a]anthracene were the predominant NPAHs and were highly correlated relationship with their parent PAHs (R = 0.93 and 0.97, respectively). The PM and HC emissions tended to be close to the PAH emissions. NOx and NPAHs were negatively correlated. Despite their small engine size, motorcycles emitted much more PM and PAHs, showed stronger PAH-related carcinogenicity and indirect-acting mutagenicity, but weaker NPAH-related direct-acting mutagenic potency than automobiles. This is the first study to analyze both PAHs and NPAHs emitted by motorcycles, which could provide useful information to design the emission regulations and standards for motorcycles such as PM. -- Highlights: ► We characterized PAHs and NPAHs distribution in motorcycle exhausts. ► NPAHs concentrations were about three orders of magnitude lower than those of PAHs. ► We found larger amounts of PM and PAHs in exhaust of motorcycles than of automobiles. ► Motorcycles showed stronger PAH-related toxicity than automobiles. ► Motorcycles showed weaker NPAH-related direct-acting mutagenicity than automobiles. -- Control polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbon in particulates emitted by motorcycles due to their toxic potency

  16. Aromatic and hetero-aromatic compositional changes during catalytic treatment of shale oil

    Energy Technology Data Exchange (ETDEWEB)

    Chishti, H.M.; Williams, P.T. [University of Leeds, Leeds (United Kingdom). Dept. of Fuel and Energy

    1999-12-01

    Oil shale from the Kimmeridge Clay, of Jurassic age from the UK was pyrolysed in a 5 kg fixed bed reactor at 525{degree}C in a nitrogen atmosphere. The derived shale oil was then hydrotreated at 15.0 MPa pressure and 400{degree}C in a stirred reactor with a nickel-molybdenum (Ni-Mo) catalyst and residence times from 8 to 56 h. The shale oils were analysed for polycyclic aromatic hydrocarbons (PAH) and for nitrogen PAH (PANH) and sulphur-PAH (PASH), before and after hydrotreatment. The results showed that generally the higher molecular weight three and four ring PAH decreased with increasing hydrotreatment time, however, single ring aromatic compounds and two ring PAH were increased. Nitrogen and sulphur containing PAH were significantly reduced in concentration in the oils with increasing hydrotreatment time to reach negligible concentrations after 56 h. The reduction in PANH and PASH coincided with a reduction in the overall nitrogen and sulphur contents of the oils. 37 refs.

  17. A relative nodal displacement method for element nonlinear analysis

    International Nuclear Information System (INIS)

    Nodal displacements are referred to the initial configuration in the total Lagrangian formulation and to the last converged configuration in the updated Lagrangian formulation. This research proposes a relative nodal displacement method to represent the position and orientation for a node in truss structures. Since the proposed method measures the relative nodal displacements relative to its adjacent nodal reference frame, they are still small for a truss structure undergoing large deformations for the small size elements. As a consequence, element formulations developed under the small deformation assumption are still valid for structures undergoing large deformations, which significantly simplifies the equations of equilibrium. A structural system is represented by a graph to systematically develop the governing equations of equilibrium for general systems. A node and an element are represented by a node and an edge in graph representation, respectively. Closed loops are opened to form a spanning tree by cutting edges. Two computational sequences are defined in the graph representation. One is the forward path sequence that is used to recover the Cartesian nodal displacements from relative nodal displacement sand traverses a graph from the base node towards the terminal nodes. The other is the backward path sequence that is used to recover the nodal forces in the relative coordinate system from the known nodal forces in the absolute coordinate system and traverses from the terminal nodes towards the base node. One open loop and one closed loop structure undergoing large deformations are analyzed to demonstrate the efficiency and validity of the proposed method

  18. Characterization of the elastic displacement demand: Case study - Sofia city

    International Nuclear Information System (INIS)

    The results of the study on the seismic site response in a part of the metropolitan Sofia are discussed. The neo-deterministic seismic hazard assessment procedure has been used to compute realistic synthetic waveforms considering four earthquake scenarios, with magnitudes M = 3.7, M = 6.3 and M = 7.0. Source and site specific ground motion time histories are computed along three investigated cross sections, making use of the hybrid approach, combining the modal summation technique and the finite differences scheme. Displacement and acceleration response spectra are considered. These results are validated against the design elastic displacement response spectra and displacement demand, recommended in Eurocode 8. The elastic response design spectrum from the standard pseudo-acceleration, versus natural period, Tn, format is converted to the Sa - Sd format. The elastic displacement response spectra and displacement demand are discussed with respect to the earthquake magnitude, the seismic source-to-site distance, seismic source mechanism, and the local geological site conditions. (author)

  19. Surface displacement studies using differential SAR interferometry: an overview

    Science.gov (United States)

    Gupta, Sonal; Sajith V., K.; Arora, Manoj K.; Sharma, Mukut L.

    2006-12-01

    The differential SAR interferometry (DInSAR) has been increasing used to monitor ground surface displacements, which may be caused by various natural disasters such as earthquakes, landslides, mining activities, avalanches etc. Conventionally, these displacements were being estimated through field measurements, which are time consuming, hazardous and with data collected over few point locations. Since all the development and rehabilitation works after a natural disaster strikes is carried out on regional basis, any information at spatial level is advantageous in planning, management and monitoring activities. In recent years, the application of Differential SAR interferometry is gaining momentum to estimate the surface displacements at millimeter level accuracy. The displacement maps produced via this technique provide information at spatial level in the region thereby assisting in judicious developmental and planning works in an efficient and cost-effective manner. The aim of this paper is provide an overview of the use of Differential SAR Interferometry (DinSAR) technology for the study of surface displacements. As a case study, land subsidence occurred due to coal mining in Jharia coal fields, Jharkhand, have been estimated through this technique. All the procedural steps in implementing the approach based on DinSAR have been explained in a simplified manner.

  20. Robust Tracking of Small Displacements With a Bayesian Estimator.

    Science.gov (United States)

    Dumont, Douglas M; Byram, Brett C

    2016-01-01

    Radiation-force-based elasticity imaging describes a group of techniques that use acoustic radiation force (ARF) to displace tissue to obtain qualitative or quantitative measurements of tissue properties. Because ARF-induced displacements are on the order of micrometers, tracking these displacements in vivo can be challenging. Previously, it has been shown that Bayesian-based estimation can overcome some of the limitations of a traditional displacement estimator such as normalized cross-correlation (NCC). In this work, we describe a Bayesian framework that combines a generalized Gaussian-Markov random field (GGMRF) prior with an automated method for selecting the prior's width. We then evaluate its performance in the context of tracking the micrometer-order displacements encountered in an ARF-based method such as ARF impulse (ARFI) imaging. The results show that bias, variance, and mean-square error (MSE) performance vary with prior shape and width, and that an almost one order-of-magnitude reduction in MSE can be achieved by the estimator at the automatically selected prior width. Lesion simulations show that the proposed estimator has a higher contrast-to-noise ratio but lower contrast than NCC, median-filtered NCC, and the previous Bayesian estimator, with a non-Gaussian prior shape having better lesion-edge resolution than a Gaussian prior. In vivo results from a cardiac, radio-frequency ablation ARFI imaging dataset show quantitative improvements in lesion contrast-to-noise ratio over NCC as well as the previous Bayesian estimator. PMID:26529761