Sample records for s-triazine ring substituents

  1. A New Family of Biuret Hydrolases Involved in S-Triazine Ring Metabolism


    Cameron, Stephan M.; Durchschein, Katharina; Richman, Jack E.; Sadowsky, Michael J.; Wackett, Lawrence P.


    Biuret is an intermediate in the bacterial metabolism of s-triazine ring compounds and is occasionally used as a ruminant feed supplement. We used bioinformatics to identify a biuret hydrolase, an enzyme that has previously resisted efforts to stabilize, purify and characterize. This newly discovered enzyme is a member of the cysteine hydrolase superfamily, a family of enzymes previously not found to be involved in s-triazine metabolism. The gene from Rhizobium leguminosarum bv. viciae strain...

  2. Gene Sequence and Properties of an s-Triazine Ring-Cleavage Enzyme from Pseudomonas sp. Strain NRRLB-12227 (United States)

    Karns, Jeffrey S.


    Pesticides based on the s-triazine ring structure are widely used in cultivation of food crops. Cleavage of the s-triazine ring is an important step in the mineralization of s-triazine compounds and hence in their complete removal from the environment. Cyanuric acid amidohydrolase cleaves cyanuric acid (2,4,6-trihydroxy-s-triazine), which yields carbon dioxide and biuret; the biuret is subject to further metabolism, which yields CO2 and ammonia. The trzD gene encoding cyanuric acid amidohydrolase was cloned into pMMB277 from Pseudomonas sp. strain NRRLB-12227, a strain that is capable of utilizing s-triazines as nitrogen sources. Hydrolysis of cyanuric acid was detected in crude extracts of Escherichia coli containing the cloned gene by monitoring the disappearance of cyanuric acid and the appearance of biuret by high-performance liquid chromatography (HPLC). DEAE and hydrophobic interaction HPLC were used to purify cyanuric acid amidohydrolase to homogeneity, and a spectrophotometric assay for the purified enzyme was developed. The purified enzyme had an apparent Km of 0.05 mM for cyanuric acid at pH 8.0. The enzyme did not cleave any other s-triazine or hydroxypyrimidine compound, although barbituric acid (2,4,6-trihydroxypyrimidine) was found to be a strong competitive inhibitor. Neither the nucleotide sequence of trzD nor the amino acid sequence of the gene product exhibited a significant level of similarity to any known gene or protein. PMID:10427042

  3. A New Family of Biuret Hydrolases Involved in S-Triazine Ring Metabolism. (United States)

    Cameron, Stephan M; Durchschein, Katharina; Richman, Jack E; Sadowsky, Michael J; Wackett, Lawrence P


    Biuret is an intermediate in the bacterial metabolism of s-triazine ring compounds and is occasionally used as a ruminant feed supplement. We used bioinformatics to identify a biuret hydrolase, an enzyme that has previously resisted efforts to stabilize, purify and characterize. This newly discovered enzyme is a member of the cysteine hydrolase superfamily, a family of enzymes previously not found to be involved in s-triazine metabolism. The gene from Rhizobium leguminosarum bv. viciae strain 3841 encoding biuret hydrolase was synthesized, transformed into Escherichia coli, and expressed. The enzyme was purified and found to be stable. Biuret hydrolase catalyzed the hydrolysis of biuret to allophanate and ammonia. The k(cat)/K(M) of 1.7 × 10(5) M(-1)s(-1) and the relatively low K(M) of 23 ± 4 μM together suggested that this enzyme acts uniquely on biuret physiologically. This is supported by the fact that of the 34 substrate analogs of biuret tested, only two demonstrated reactivity, both at less than 5% of the rate determined for biuret. Biuret hydrolase does not react with carboxybiuret, the product of the enzyme immediately preceding biuret hydrolase in the metabolic pathway for cyanuric acid. This suggests an unusual metabolic strategy of an enzymatically-produced intermediate undergoing non-enzymatic decarboxylation to produce the substrate for the next enzyme in the pathway.

  4. Synthesis and Characterization of Some Mono Chloro-S- Triazine ...

    African Journals Online (AJOL)

    A series of ten bifunctional mono-chloro-s-triazine vinyl sulphone reactive dyes were synthesized based on Hacid with varied substituents coded as (BRD). These dyes were characterized by IR spectroscopy. The results revealed an incorporation of various substituents. The visible absorption spectra of these dyes were ...

  5. Understanding substituent effects in noncovalent interactions involving aromatic rings. (United States)

    Wheeler, Steven E


    Noncovalent interactions involving aromatic rings such as π-stacking, cation/π, and anion/π interactions are central to many areas of modern chemistry. Decades of experimental studies have provided key insights into the impact of substituents on these interactions, leading to the development of simple intuitive models. However, gas-phase computational studies have raised some doubts about the physical underpinnings of these widespread models. In this Account we review our recent efforts to unravel the origin of substituent effects in π-stacking and ion/π interactions through computational studies of model noncovalent dimers. First, however, we dispel the notion that so-called aromatic interactions depend on the aromaticity of the interacting rings by studying model π-stacked dimers in which the aromaticity of one of the monomers can be "switched off". Somewhat surprisingly, the results show that not only is aromaticity unnecessary for π-stacking interactions, but it actually hinders these interactions to some extent. Consequently, when thinking about π-stacking interactions, researchers should consider broader classes of planar molecules, not just aromatic systems. Conventional models maintain that substituent effects in π-stacking interactions result from changes in the aryl π-system. This view suggests that π-stacking interactions are maximized when one ring is substituted with electron-withdrawing groups and the other with electron donors. In contrast to these prevailing models, we have shown that substituent effects in π-stacking interactions can be described in terms of direct, local interactions between the substituents and the nearby vertex of the other arene. As a result, in polysubstituted π-stacked dimers the substituents operate independently unless they are in each other's local environment. This means that in π-stacked dimers in which one arene is substituted with electron donors and the other with electron acceptors the interactions will

  6. The effects of s-triazines on selected marine macroalgae

    International Nuclear Information System (INIS)

    Lewey, S.A.; Nummela, E.C.


    Although s-triazines have been used as herbicides for many years, their use and that of other herbicides and fungicides, in antifouling compounds is only fairly recent. The Hamble estuary, Hampshire UK has been identified as one such site. Investigations were conducted into the effects of s-triazines on selected marine macroalgae, local to that area


    The acid-catalyzed hydrolysis of atrazine and related 2-chloro-s-triazines to the corresponding 2-hydroxy-s-triazines was investigated using the B3LYP hybrid density functional theory method. Gas-phase calculations were performed at the B3LYP/6-311++G(d,p)//B3LYP/6-31G* level of ...

  8. Agronomic and environmental implications of enhanced s-triazine degradation (United States)

    Krutz, L. J.; Dale L. Shaner,; Mark A. Weaver,; Webb, Richard M.; Zablotowicz, Robert M.; Reddy, Krishna N.; Huang, Y.; Thompson, S. J.


    Novel catabolic pathways enabling rapid detoxification of s-triazine herbicides have been elucidated and detected at a growing number of locations. The genes responsible for s-triazine mineralization, i.e. atzABCDEF and trzNDF, occur in at least four bacterial phyla and are implicated in the development of enhanced degradation in agricultural soils from all continents except Antarctica. Enhanced degradation occurs in at least nine crops and six crop rotation systems that rely on s-triazine herbicides for weed control, and, with the exception of acidic soil conditions and s-triazine application frequency, adaptation of the microbial population is independent of soil physiochemical properties and cultural management practices. From an agronomic perspective, residual weed control could be reduced tenfold in s-triazine-adapted relative to non-adapted soils. From an environmental standpoint, the off-site loss of total s-triazine residues could be overestimated 13-fold in adapted soils if altered persistence estimates and metabolic pathways are not reflected in fate and transport models. Empirical models requiring soil pH and s-triazine use history as input parameters predict atrazine persistence more accurately than historical estimates, thereby allowing practitioners to adjust weed control strategies and model input values when warranted. 

  9. Ring substituents mediate the morphology of PBDTTPD-PCBM bulk-heterojunction solar cells

    KAUST Repository

    Warnan, Julien


    Among π-conjugated polymer donors for efficient bulk-heterojunction (BHJ) solar cell applications, poly(benzo[1,2-b:4,5-b′]dithiophene- thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD) polymers yield some of the highest open-circuit voltages (VOC, ca. 0.9 V) and fill-factors (FF, ca. 70%) in conventional (single-cell) BHJ devices with PCBM acceptors. In PBDTTPD, side chains of varying size and branching affect polymer self-assembly, nanostructural order, and impact material performance. However, the role of the polymer side-chain pattern in the intimate mixing between polymer donors and PCBM acceptors, and on the development of the BHJ morphology is in general less understood. In this contribution, we show that ring substituents such as furan (F), thiophene (T) and selenophene (S)-incorporated into the side chains of PBDTTPD polymers-can induce significant and, of importance, very different morphological effects in BHJs with PCBM. A combination of experimental and theoretical (via density functional theory) characterizations sheds light on how varying the heteroatom of the ring substituents impacts (i) the preferred side-chain configurations and (ii) the ionization, electronic, and optical properties of the PBDTTPD polymers. In parallel, we find that the PBDT(X)TPD analogs (with X = F, T, or S) span a broad range of power conversion efficiencies (PCEs, 3-6.5%) in optimized devices with improved thin-film morphologies via the use of 1,8-diiodooctane (DIO), and discuss that persistent morphological impediments at the nanoscale can be at the origin of the spread in PCE across optimized PBDT(X)TPD-based devices. With their high VOC ∼1 V, PBDT(X)TPD polymers are promising candidates for use in the high-band gap cell of tandem solar cells. © 2014 American Chemical Society.

  10. Computational Study on Substituted s-Triazine Derivatives as Energetic Materials

    Directory of Open Access Journals (Sweden)

    Vikas D. Ghule


    Full Text Available s-Triazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores s-triazine derivatives in which different -NO2, -NH2 and -N3 substituted azoles are attached to the triazine ring via C-N linkage. The density functional theory is used to predict geometries, heats of formation and other energetic properties. Among the designed compounds, -N3 derivatives show very high heats of formation. The densities for designed compounds were predicted by using the crystal packing calculations. Introduction of -NO2 group improves density as compared to -NH2 and -N3, their order of increasing density can be given as NO2>N3>NH2. Analysis of the bond dissociation energies for C-NO2, C-NH2 and C-N3 bonds indicates that substitutions of the -N3 and -NH2 group are favorable for enhancing the thermal stability of s-triazine derivatives. The nitro and azido derivatives of triazine are found to be promising candidates for the synthetic studies.

  11. Sample clean-up, enrichment and determination of s -triazine ...

    African Journals Online (AJOL)

    In liquid membrane extraction, the uncharged triazine compounds from the flowing donor solution diffuse through a porous poly(tetrafluoroethylene) (PTFE) membrane, containing a water immiscible organic solvent. The s-triazine molecules are then irreversibly trapped in the stagnant acidic acceptor phase since they ...

  12. How the Substituent Effect Influences π-Electron Delocalisation in the Ring of Reactants in the Reaction Defining the Hammett Substituent Constants σm and σp

    Directory of Open Access Journals (Sweden)

    Michał K. Cyrański


    Full Text Available Abstract: Application of the geometry (HOMA, EN, GEO and magnetism based (NICS, NICS(1 indices of aromaticity to optimised geometry of the ring in 12 meta – and 12 para – substituted benzoic acids and their anions by use of DFT computations at B3LYP/6-311+G(d,p level has shown a very low substituent effect on the π-electron delocalisation. This resembles (qualitatively the resistance of benzene (and typical aromatic systems against reactions leading to the change of π-electron delocalisation.

  13. Selection pressure, cropping system and rhizosphere proximity affect atrazine degrader populations and activity in s-triazine adapted soil (United States)

    Atrazine degrader populations and activity in s-triazine adapted soils are likely affected by interactions among and (or) between s-triazine application frequency, crop production system, and proximity to the rhizosphere. A field study was conducted on an s-triazine adapted soil to determine the ef...

  14. Synthesis and Evaluation of Changes Induced by Solvent and Substituent in Electronic Absorption Spectra of New Azo Disperse Dyes Containig Barbiturate Ring

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    Hooshang Hamidian


    Full Text Available Six azo disperse dyes were prepared by diazotizing 4-amino hippuric acid and coupled with barbituric acid and 2-thiobarbituric acid. Then, the products were reacted with aromatic aldehyde, sodium acetate, and acetic anhydride, and oxazolone derivatives were formed. Characterization of the dyes was carried out by using UV-Vis, FT-IR, 1H NMR and 13C NMR, and mass spectroscopic techniques. The solvatochromic behavior of azo disperse dyes was evaluated in various solvents. The effects of substituents of aromatic aldehyde, barbiturate, and thiobarbiturate ring on the color of dyes were investigated.

  15. Analysis of s-triazine herbicides in model systems and samples of groundwater by gas and liquid chromatography

    Directory of Open Access Journals (Sweden)

    Kostadinović Ljiljana


    Full Text Available In this paper, residues of s-triazine herbicides (Simazine, Atrazine, Amethrine, Promethrine and Azyprothrine have been determined in samples of model systems and real groundwater samples by gas-chromatography and high performance liquid chromatography. S-triazine herbicides were isolated from water samples by chloroform-methanol mixture (1:1, followed by purification of extract on the Al2O3 column. Gas-chromatographic determination the residues of s-triazines is performed on parallel capilar columns ULTRA I and ULTRA II, using specific NP detector. Liquid-chromatographic determination the s-triazines was performed on the column TSK ODS-120 A 5 mm 'LKB', using the mobile phase methanol-water (60:40. Total concentration of s-triazines in samples of Danube water was 3.54 mg dm-3. .

  16. Modified QuEChERS method for the determination of s-Triazine ...

    African Journals Online (AJOL)

    A modified QuEChERS method has been proposed for the quantitative determination of four s-triazine herbicides including atrazine, secbumetone, aziprotryne and terbutryn by high performance liquid chromatography with diode array detector (HPLC–DAD) from soil samples collected from different localities in Ethiopia.

  17. A Neutron Scattering Study of Phonons in Per-Deuterated S-Triazine

    DEFF Research Database (Denmark)

    Doue, M. T.; Heilmann, I. U.; Kjems, Jørgen


    The lattice dynamics of a fully-deuterated single crystal of s-triazine is investigated using the technique of coherent inelastic neutron scattering. Detailed measurements of the temperature dependence of the dispersion of the soft acoustic mode associated with the ferroelastic phase transition...

  18. 2-Phenyl-7-(4-pyridylmethylamino-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H-oneFused heterocyclic systems with s-triazine ring. Part 17. For part 16, see Dolzhenko et al. (2011.

    Directory of Open Access Journals (Sweden)

    Lip Lin Koh


    Full Text Available In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å. The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23°], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9°]. The amino group H atom is involved in intramolecular hydrogen bonding with a triazole N atom. In the crystal, molecules are connected via C(=ONH...N hydrogen bonds into C(11 chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH...O=C hydrogen bond with the carbonyl O atom, which links the molecules into C(6 chains running along [011] and [01overline{1}].

  19. Synthesis and spectral studies on metal complexes of s-triazine based ligand and non linear optical properties (United States)

    Shanmugakala, R.; Tharmaraj, P.; Sheela, C. D.


    A series of transition metal complexes of type [ML] and [ML2]Cl2 (where M = Cu(II), Ni(II), Co(II) have synthesized from 2-phenylamino-4,6-dichloro-s-triazine and 3,5-dimethyl pyrazole; their characteristics have been investigated by means of elemental analyses, magnetic susceptibility, molar conductance, IR, UV-Vis, Mass, NMR and ESR spectra. The electrochemical behavior of copper(II) complexes we have studied, by using cyclic voltammetry. The ESR spectra of copper(II) complexes are recorded at 300 K and 77 K and their salient features are appropriately reported. Spectral datas, we found, show that the ligand acts as a neutral tridentate, and coordinates through the triazine ring nitrogen and pyrazolyl ring nitrogen atoms to the metal ion. Evident from our findings, the metal(II) complexes of [ML] type exhibit square pyramidal geometry, and that of [ML2]Cl2 exhibit octahedral geometry. The in vitro antimicrobial activities of the ligand and its complexes are evaluated against Bacillus subtilis, Micrococcus luteus, Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus mutans, Escherichia coli, Enterobacter aerogenes, Klebsiella pneumoniae, Proteus vulgaris, Cryptococcus neoformans, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Shigella flexneri, Vibrio cholera, Vibris parahaemolyticus, Aspergillus niger, Candida albicans and Penicillium oxalicum by well-diffusion method. The second harmonic generation efficiency of the ligand and its complexes are determined and compared with urea and KDP.

  20. Identification of a new Irgarol-1051 related s-triazine species in coastal waters

    International Nuclear Information System (INIS)

    Lam, K.-H.; Cai Zongwei; Wai, H.-Y.; Tsang, Vic W.-H.; Lam, Michael H.-W.; Cheung, Richard Y.-H.; Yu Hongxia; Lam, Paul K.-S.


    A previously unknown s-triazine species present in commercially available Irgarol-1051, a booster biocide additive in copper-based antifouling paints for the replacement of organotin-based antifoulants, has been identified in the coastal aquatic environment. After careful isolation, purification and characterization by high resolution MS-MS and 1 H NMR, the molecular structure of that unknown species is found to be N,N'-di-tert-butyl-6-methylthiol-s-triazine-2,4-diamine (designated as M3). Levels of Irgarol-1051, its major degradation product (M1) and the newly identified M3 in the coastal waters of Hong Kong, one of the world's busiest ports located in the southern coast of China, were monitored by SPME-GC-MS and SPME-GC-FID. Water samples from five locations within Hong Kong waters were analysed and the levels of Irgarol-1051, M1 and M3 were found to be 0.1-1.6 μg l -1 , 36.8-259.0 μg l -1 and 0.03-0.39 μg l -1 , respectively. Our results indicate that M3 is relatively stable against photo-and bio-degradation and may pose considerable risk to primary producer communities in the coastal marine environment. - An s-triazine species resists degradation and may be a chemical risk for marine coastal communities

  1. Voltammetric oxidation of Hantzsch 1,4-dihydropyridines in protic media: substituent effect on positions 3,4,5 of the heterocyclic ring

    Energy Technology Data Exchange (ETDEWEB)

    Arguello, J.; Nunez-Vergara, L.J.; Sturm, J.C.; Squella, J.A. [University of Chile, Santiago (Chile). Bioelectrochemistry Laboratory


    A detailed study was done of the electrochemical oxidation of some 1,4-dihydropyridine (1,4-DHP) derivatives in order to determine the influence of the substituents in the heterocyclic ring. Two types of derivatives were synthesized, namely, 3,5-(substituted)-4-(5{sup '}-nitro-2'-furyl)-l,4-DHP for series A, and 3,5-dicarboethoxy-4-(substituted or non-substituted)-l,4-DHP for series B. Voltammetry, coulometry, controlled potential electrolysis, UV-vis spectroscopy and GC-MS techniques were employed to collect data that permitted to postulate oxidation mechanisms in a protic medium. In acid media, at pH < 4, all derivatives follow oxidation mechanisms obeying the ECE sequence. However, at pH > 4, series A derivatives follow an ECEC sequence, while series B derivatives obey a DISP1 mechanism. In both cases, the uptake of proton at N-1 by the OH{sup -} ion of the media was the rate-determining step. (author)

  2. Substituent Effect in Benzene Dication

    NARCIS (Netherlands)

    Palusiak, M.; Domagala, M.; Dominikowska, J.E.; Bickelhaupt, F.M.


    It was recently postulated that the benzene ring and its 4n + 2 π-electron analogues are resistant to the substituent effect due to the fact that such systems tend to retain their delocalized character. Therefore, the 4n π-electron dicationic form of benzene should appear to be less resistant to the

  3. Synthesis and biological activity of substituted 2,4,6-s-triazines. (United States)

    Pandey, Vinod Kumar; Tusi, Sarah; Tusi, Zehra; Joshi, Madhawanand; Bajpai, Shashikala


    Reaction of 7-hydroxy-4-methyl coumarin with amido/ imido alcohols in ethanol containing concentrated hydrochloric acid afforded 8-aralkyl amido/imido-alkyl-7-hydroxy-4-methyl-coumarins (1a-f). Interaction of 1a-f with hydrazine hydrate in pyridine resulted in 1-amino-8-aralkyl amido/imido-alkyl-7-hydroxy-4-methyl-2-oxo-quinolines (2a-f). Treatment of 2 with formaldehyde in ethanol resulted in 1,3,5-tris-(8-aralkyl amido/imido-alkyl-7-hydroxy-4-methyl-2-oxo-quinolinyl)-2,4,6-hexahydro-s-triazines (3a-c). Antiviral activity of compounds 2a-d and 3a, 3b upon Japanese encephalitis virus (JEV) and Herpes simplex virus-1 (HSV-1) was evaluated on vero cells in vitro. 3a-c were also screened for their antihypertensive activity.

  4. An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. (United States)

    Esquirol, Lygie; Peat, Thomas S; Wilding, Matthew; Liu, Jian-Wei; French, Nigel G; Hartley, Carol J; Onagi, Hideki; Nebl, Thomas; Easton, Christopher J; Newman, Janet; Scott, Colin


    Cyanuric acid is a metabolic intermediate of s-triazines, such as atrazine (a common herbicide) and melamine (used in resins and plastics). Cyanuric acid is mineralized to ammonia and carbon dioxide by the soil bacterium Pseudomonas sp. strain ADP via three hydrolytic enzymes (AtzD, AtzE, and AtzF). Here, we report the purification and biochemical and structural characterization of AtzE. Contrary to previous reports, we found that AtzE is not a biuret amidohydrolase, but instead catalyzes the hydrolytic deamination of 1-carboxybiuret. X-ray crystal structures of apo AtzE and AtzE bound with the suicide inhibitor phenyl phosphorodiamidate revealed that the AtzE enzyme complex consists of two independent molecules in the asymmetric unit. We also show that AtzE forms an α2β2 heterotetramer with a hitherto unidentified 68-amino-acid-long protein (AtzG) encoded in the cyanuric acid mineralization operon from Pseudomonas sp. strain ADP. Moreover, we observed that AtzG is essential for the production of soluble, active AtzE and that this obligate interaction is a vestige of their shared evolutionary origin. We propose that AtzEG was likely recruited into the cyanuric acid-mineralizing pathway from an ancestral glutamine transamidosome that required protein-protein interactions to enforce the exclusion of solvent from the transamidation reaction. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

  5. Preparation, morphologies and thermal behavior of high nitrogen compound 2-amino-4,6-diazido-s-triazine and its derivatives

    Czech Academy of Sciences Publication Activity Database

    Yan, Q.-L.; Musil, T.; Zeman, S.; Matyáš, R.; Shi, X.-B.; Vlček, Milan; Pelikán, V.


    Roč. 604, 20 March (2015), s. 106-114 ISSN 0040-6031 Institutional support: RVO:61389013 Keywords : azido-s-triazine * decomposition * high nitrogen compounds Subject RIV: CA - Inorganic Chemistry Impact factor: 1.938, year: 2015

  6. Towards a physical interpretation of substituent effect: Quantum chemical interpretation of Hammett substituent constants (United States)

    Varaksin, Konstantin S.; Szatylowicz, Halina; Krygowski, Tadeusz M.


    Quantitative description of substituent effects is of a great importance especially in organic chemistry and QSAR-type treatments. The proposed approaches: substituent effect stabilization energy (SESE) and charge of the substituent active region (cSAR) provide substituent effect characteristics, physically independent of the Hammett's substituent constants, σ. To document abilities of these descriptors the B3LYP/6-311++G(d,p) method is employed to examine changes in properties of a reaction center Y (Y = COOH or COO- groups) and a transmitting moiety (benzene ring) due to substituent effects in a series of meta- and para-X-substituted benzoic acid and benzoate anion derivatives (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, NO). The transmitting moiety is described by aromaticity indices HOMA and NICS(1). Furthermore, an advantage of the cSAR characteristic is the ability to use it to describe both electron donating/accepting properties of a substituent as well as a reaction center. It allows demonstration of the reverse substituent effects of COOH and COO- groups on substituent X.

  7. Adsorption of s-triazines onto polybenzimidazole: A quantitative structure-property relationship investigation

    International Nuclear Information System (INIS)

    D'Archivio, Angelo Antonio; Incani, Angela; Mazzeo, Pietro; Ruggieri, Fabrizio


    The adsorption of 25 symmetric triazines (s-triazines) on polybenzimidazole (PBI) beads is investigated under equilibrium (batch) conditions. The observed adsorption isotherms of the selected compounds are accurately described by the Freundlich model, while the agreement between the Langmuir model and the experimental data is moderately worse, which seems to reflect the heterogeneous meso- and micro-porosity of PBI and polydispersion in the interaction mechanism. Methylthio- and methoxytriazines exhibit a greater adsorption tendency as compared with chlorotriazines, moreover, progressive dealkylation of amino groups results in a progressive increase of triazine uptake on PBI. Based on these evidences, the adsorption mechanism seems to be governed by a combination of π-π and hydrogen-bonding interactions. Genetic algorithm (GA) variable selection and multilinear regression (MLR) are combined in order to describe the effect of triazine structure on the extraction performance of PBI according to the quantitative structure-property relationship (QSPR) method. q max , the amount of triazine adsorbed per weight unit of PBI assuming homogeneous monolayer (Langmuir) mechanism, exhibits a great variability within the set of investigated triazines and is the quantity here modelled by QSPR. On the other hand, the Freundlich constant, K F , which expresses the adsorption efficiency under multilayer heterogeneous conditions, even if markedly increases passing from chloro- to methylthio- or methoxytriazines, is less noticeably affected by the fine details of the adsorbate structure, as the number or nature of alkyl fragments bound to the amino groups. To quantitatively relate q max with the triazine structure GA-MLR analysis is performed on the set of 1664 theoretical molecular descriptors provided by the software Dragon. Finally, a four-dimensional QSPR model is selected based on leave-one-out cross-validation and its prediction ability is further tested on four

  8. Topological Substituent Descriptors

    Directory of Open Access Journals (Sweden)

    Mircea V. DIUDEA


    Full Text Available Motivation. Substituted 1,3,5-triazines are known as useful herbicidal substances. In view of reducing the cost of biological screening, computational methods are carried out for evaluating the biological activity of organic compounds. Often a class of bioactives differs only in the substituent attached to a basic skeleton. In such cases substituent descriptors will give the same prospecting results as in case of using the whole molecule description, but with significantly reduced computational time. Such descriptors are useful in describing steric effects involved in chemical reactions. Method. Molecular topology is the method used for substituent description and multi linear regression analysis as a statistical tool. Results. Novel topological descriptors, XLDS and Ws, based on the layer matrix of distance sums and walks in molecular graphs, respectively, are proposed for describing the topology of substituents linked on a chemical skeleton. They are tested for modeling the esterification reaction in the class of benzoic acids and herbicidal activity of 2-difluoromethylthio-4,6-bis(monoalkylamino-1,3,5-triazines. Conclusions. Ws substituent descriptor, based on walks in graph, satisfactorily describes the steric effect of alkyl substituents behaving in esterification reaction, with good correlations to the Taft and Charton steric parameters, respectively. Modeling the herbicidal activity of the seo of 1,3,5-triazines exceeded the models reported in literature, so far.

  9. Stereoelectronic Substituent Effects

    DEFF Research Database (Denmark)

    Bols, Mikael; Jensen, Henrik Helligsø


    An investigation was carried Out on the influence of the stereo-chemistry of substituents, particularly hydroxyl groups, on their electronic effects in piperidines, carbohydrates (pyranosides), and related compounds. Polar groups, such as OH, OR, and F, were found in the 3 and 4 position to be mu...

  10. Improving the photocatalytic activity of s-triazine based graphitic carbon nitride through metal decoration: an ab initio investigation. (United States)

    Srinivasu, K; Modak, Brindaban; Ghosh, Swapan K


    Graphitic carbon nitride based semiconductor materials are found to be potential photocatalysts for generating hydrogen through solar water splitting. Through more accurate hybrid density functional theory calculations, we attempted to tune the electronic band structure of poly s-triazine based graphitic carbon nitride by decorating it with different metal atoms and clusters for improving its visible light absorption efficiency. For deposition on the two-dimensional carbon nitride surface, a range of metals have been considered which include all the 3d transition metals and the noble metals (Ag, Au, Pt and Pd). Our study reveals that though the band gaps of all the metal decorated systems were less than that of pristine carbon nitride, in most of the cases, metal decoration leads to the formation of mid gap impurity states, which can hinder the mobility of charge carriers. However, in the case of Ag and its four atom cluster deposited systems, no mid gap states were observed. In all the metal decorated systems, the measured band edge potentials were also found to satisfy the thermodynamic criterion for overall water splitting. The calculated optical absorption spectra show a shift in the absorption band towards the visible region upon metal decoration. Our results indicate that among all the considered metal atoms silver is the preferred candidate for deposition on the carbon nitride surface for improved photocatalytic activity.

  11. First-Principles Study of the Adsorption of Water on Tri-s-triazine-based Graphitic Carbon Nitride (United States)

    Meñez Aspera, Susan; David, Melanie; Kasai, Hideaki


    As an initial step towards understanding the mechanism behind photocatalysis in graphitic carbon nitride (g-C3N4), we present a first-principles density functional theory (DFT) study of H2O molecular adsorption on the tri-s-triazine-based structure. The optimization of the system determined that the most stable configuration would be on top of the two-coordinated nitrogen atom in an orientation where one O-H bond is parallel to the surface and the other one is pointing to the surface. The adsorption energy at the most stable configuration was found to be 0.82 eV with a barrier energy of ˜0.02 eV. Partial density of states (PDOS) and charge density distribution analysis show that, primarily, the bonding occurs between the hydrogen atom of the water molecule and the two-coordinated nitrogen atom of g-C3N4. Results of this study would be useful not only to better understand the mechanism behind H2O molecule adsorption but also to give insight into the role of the catalyst in the photocatalytic process.

  12. Sample clean-up, enrichment and determination of s-triazine herbicides from southern ethiopian lakes supported using liquid membrane extraction

    Directory of Open Access Journals (Sweden)

    Jan Åke Jönsson


    Full Text Available The liquid membrane extraction method has been employed for selectively extracting trace quantities of s-triazine herbicides in environmental waters collected from lakes Awassa, Chamo and Abbya, located in close proximity to the agricultural farms in Southern Ethiopia. In liquid membrane extraction, the uncharged triazine compounds from the flowing donor solution diffuse through a porous poly(tetrafluoroethylene (PTFE membrane, containing a water immiscible organic solvent. The s-triazine molecules are then irreversibly trapped in the stagnant acidic acceptor phase since they become protonated. Using both di-n-hexylether and n-undecane membrane solvents, s-traizine herbicides were extracted and low detection limits of about 1 ng/L have been obtained by extraction of three liters of sample solution spiked with 0.1 g/L of each triazine. Residues of atrazine and terbutryn ranging in concentration from 0.02 to 0.05 g/L have been successfully determined.

  13. Use of ESI-MS to determine reaction pathway for hydrogen sulphide scavenging with 1,3,5-tri-(2-hydroxyethyl)-hexahydro-s-triazine

    DEFF Research Database (Denmark)

    Madsen, Henrik Tækker; Søgaard, Erik Gydesen


    To study the reaction between hydrogen sulphide and 1,3,5-tri-(2-hydroxyethyl)- hexahydro-s-triazine, which is an often used hydrogen sulphide scavenger, electro spray ionisation mass spectrometry (ESI-MS) was used. The investigation was carried out in positive mode, and tandem mass spectrometry...... was used to investigate the nature of unknown peaks in the mass spectra. The reaction was found to proceed as expected from theory with the triazine reacting with hydrogen sulphide to form the corresponding thiadiazine. This species subsequently reacted with a second hydrogen sulphide molecule to form...

  14. Substituent Effects on the Stability and Antioxidant Activity of Spirodiazaselenuranes

    Directory of Open Access Journals (Sweden)

    Devappa S. Lamani


    Full Text Available Spirodiazaselenuranes are structurally interesting compounds and the stability of these compounds depends highly on the nature of the substituents attached to the nitrogen atoms. Aromatic substituents are known to play important roles in stabilizing the Se-N bonds in spiro compounds. In this study, several spirodiazaselenuranes are synthesized by introducing benzylic and aliphatic substituents to understand their effect on the stability of the Se-N bonds and the antioxidant activity. Replacement of phenyl substituent by benzyl/alkyl groups significantly reduces the stability of the spirodiazaselenuranes and slows down the oxidative cyclization process. The selenium centre in the spiro compounds undergoes further oxidation to produce the corresponding selenurane oxides, which are stable at room temperature. Comparison of the glutathione peroxidase (GPx mimetic activity of the compounds showed that the diaryl selenides having heterocyclic rings are significantly more active due to the facile oxidation of the selenium centre. However, the activity is reduced significantly for compounds having aliphatic substituents. In addition to GPx activity, the compounds also inhibit peroxynitrite-mediated nitration and oxidation reaction of protein and small molecules, respectively. The experimental observations suggest that the antioxidant activity is increased considerably upon substitution of the aromatic group with the benzylic/aliphatic substituents on the nitrogen atoms.

  15. Facile Synthesis, Characterization, and In Vitro Antimicrobial Screening of a New Series of 2,4,6-Trisubstituted-s-triazine Based Compounds

    Directory of Open Access Journals (Sweden)

    Ravi Bhushan Singh


    Full Text Available A series of new 2,4,6-trisubstituted-s-triazine was synthesized, assessed for antimicrobial activity, and characterized by FTIR, 1HNMR, 13CNMR, and elemental analysis. The tested compounds, 4d, 4g, 4h, 4k, and 4n, have shown considerable in vitro antibacterial efficacy with reference to the standard drug ciprofloxacin (MIC 3.125 μgmL−1 against B. subtilis, E. coli, and K. pneumoniae. It was observed that compounds 4d and 4h displayed equipotent antibacterial efficacy against B. subtilis (MIC 3.125 μgmL−1 and S. aureus (MIC 6.25 μgmL−1. The studies demonstrated that the para-fluorophenylpiperazine substituted s-triazine (4n was potent and exhibited broad spectrum antibacterial activity against S. epidermidis, K. pneumoniae, and P. aeruginosa with MIC of 6.25 μgmL−1 and for E. coli, it showed an MIC of 3.125 μgmL−1 equipotent with reference to the standard drug. Among all the compounds under investigation, compound 4g also demonstrated significant antifungal activity (3.125 μgmL−1 against C. albicans.

  16. Uptake of 2,4-bis(Isopropylamino)-6-methylthio-s-triazine by Vetiver Grass (Chrysopogon zizanioides L.) from Hydroponic Media. (United States)

    Sun, S X; Li, Y M; Zheng, Y; Hua, Y; Datta, R; Dan, Y M; Lv, P; Sarkar, D


    2,4-bis(Isopropylamino)-6-methylthio-s-triazine (prometryn) poses a risk to aquatic environments in several countries, including China, where its use is widespread, particularly due to its chemical stability and biological toxicity. Vetiver grass (Chrysopogon zizanioides L.) was tested for its potential for phytoremediation of prometryn. Vetiver grass was grown in hydroponic media in a greenhouse, in the presence of prometryn, with appropriate controls. Plant uptake and removal of prometryn from the media were monitored for a period of 67 days. The results showed that the removal of the prometryn in the media was expedited by vetiver grass. The removal half-life (t1/2) was shortened by 11.5 days. Prometryn removal followed first-order kinetics (Ct = 1.8070e(-0.0601t)). This study demonstrated the potential of vetiver grass for the phytoremediation for prometryn.

  17. Pentafluorosulfanyl Substituents in Polymerization Catalysis. (United States)

    Kenyon, Philip; Mecking, Stefan


    Highly electron-withdrawing pentafluorosulfanyl groups were probed as substituents in an organometallic catalyst. In Ni(II) salicylaldiminato complexes as an example case, these highly electron-withdrawing substituents allow for polymerization of ethylene to higher molecular weights with reduced branching due to significant reductions in β-hydrogen elimination. Combined with the excellent functional group tolerance of neutral Ni(II) complexes, this suppression of β-hydrogen elimination allows for the direct polymerization of ethylene in water to nanocrystal dispersions of disentangled, ultrahigh-molecular-weight linear polyethylene.

  18. Spectrophotometric analysis of vitamin E using Cu(I)-Bathocuproine or/and Fe(II)-2,4,6-tris-(2'-pyridyl)-s-triazine complexes

    International Nuclear Information System (INIS)

    Devi, I.; Memon, S. A.; Khuhawar, M.Y.


    Vitamin E (tocopherols and tocotrienols) antioxidants are determined by reducing Cu(II) to Cu(I) or Fe(III) to Fe(II) in presence of vitamin E and subsequent complexation of Cu(I) with bathocuproine and/or Fe(II) with 2,4,6-tris-(2'-pyridyl)-s-triazine (TPTZ). Both the reactions are monitored separately, Cu(I)-bathocuproine at 479 nm where as, Fe(II)-(TPTZ) at 595 nm spectrophotometrically. Linear calibration curves are achieved for both complexes between I to 5mu g ml-1 for vitamin E. The methods were applied for the determination of vitamin E in pharmaceutical preparations and edible oils. Vitamin E, from edible oils, was solvent extracted into n-hexane prior to saponification. Furthermore, a single lined flow was also examined. A larger excess of Cu(II) or Fe =(II) with different concentrations of vitamin E in buffer pH 4 was run on the line and constant amounts of reagent bathocuproine or TPTZ in each case was injected through the injector. The peak height shows a linear relationship for vitamin E between 0.5 to 2.5 mu g ml-1 for both complexes. (author)

  19. A New Indirect Spectrofluorimetric Method for Determination of Ascorbic Acid with 2,4,6-Tripyridyl-S-Triazine in Pharmaceutical Samples

    Directory of Open Access Journals (Sweden)

    Lejla Klepo


    Full Text Available Ascorbic acid (AA is a water-soluble vitamin which shows no fluorescence. However, in reaction with iron(III, AA is oxidised to dehydroascorbic acid and iron(III is reduced to iron(II which forms a complex with 2,4,6-tripyridyl-S-triazine (TPTZ in buffered medium. The relative fluorescence intensity of the resulting Fe(TPTZ22+ complex can be measured at excitation and emission wavelengths of 393 and 790 nm, respectively. Based on this data, a new indirect spectrofluorimetric method for the determination of AA in pharmaceutical samples was proposed. Influence of the reaction conditions, such as acidity of acetic buffer, concentration of TPTZ and iron(III, reaction time and instrumental parameters were investigated in detail. The linear range was from 5.4 × 10−4 to 5.4 × 10−6 mol·L−1 (R = 0.9971. The LOD was 7.7 × 10−7 mol·L−1 and LOQ was 2.3 × 10−4 mol·L−1. Fourteen pharmaceutical samples containing various amounts of AA were analysed. Influences of potential interfering substances were also examined. Analysis of commercial pharmaceutical formulations showed good correlation with the nominal values given by the manufacturers and with the results obtained by a titration method. The proposed method can be applied in routine quality control in the pharmaceutical industry due to its sensitivity, simplicity, selectivity and low cost.

  20. Rationalizing substituent effects in 1-azathioxanthone photophysics (United States)

    Junker, Anne Kathrine R.; Just Sørensen, Thomas


    The influence of an electron donating substituent on the photophysical properties of 1-azathioxanthone dyes has been investigated using optical spectroscopy and theoretical models. The motivation behind the study is based on the fact that thioxanthones are efficient triplet sensitizers, and thus promising sensitizers for lanthanide centered emission. By adding an aza group to one of the phenyl ring systems, direct coordination to a lanthanide center becomes possible, which makes azathoixanthones great candidates as antenna chromophores in lanthanide(III) based dyes. Here, three 1-azathioxanthone derivatives have been synthesized targeting efficient triplet formation following absorption in the visible range of the spectrum. This is achieved by adding methoxy groups to the 1-azathioxanthone core. The derivatives were characterized using absorption, emission, and time-gated emission spectroscopy, where fluorescent quantum yields, singlet and triplet excited states lifetimes were determined. The experimentally determined photophysical properties of the three 1-azathioxanthone compounds are contrasted to those of the parent thioxanthone and is rationalized using the Strickler–Berg equation, Hückel MO theory, and Dewar’s rules in combination with computational chemistry. We find that the transition energies follow predictions, but that the overall photophysical properties are determined by the relative energies as well as the nature of the involved states in both the singlet and the triplet excited state manifolds.

  1. Capillary moving-boundary isotachophoresis with electrospray ionization mass-spectrometric detection and hydrogen ion used as essential terminator: Methodology for sensitive analysis of hydroxyderivatives of s-triazine herbicides in waters. (United States)

    Malá, Zdena; Gebauer, Petr


    Capillary isotachophoresis (ITP) is an electrophoretic technique offering high sensitivity due to permanent stacking of the migrating analytes. Its combination with electrospray-ionization mass-spectrometric (ESI-MS) detection is limited by the narrow spectrum of ESI-compatible components but can be compensated by experienced system architecture. This work describes a methodology for sensitive analysis of hydroxyderivatives of s-triazine herbicides, based on implementation of the concepts of moving-boundary isotachophoresis and of H + as essential terminating component into cationic ITP with ESI-MS detection. Theoretical description of such kind of system is given and equations for zone-related boundary mobilities are derived, resulting in a much more general definition of the effective mobility of the terminating H + zone than used so far. Explicit equations allowing direct calculation for selected simple systems are derived. The presented theory allows prediction of stacking properties of particular systems and easy selection of suitable electrolyte setups. A simple ESI-compatible system composed of acetic acid and ammonium with H + and ammonium as a mixed terminator was selected for the analysis of 2-hydroxyatrazine and 2-hydroxyterbutylazine, degradation products of s-triazine herbicides. The proposed method was tested with direct injection without any sample pretreatment and provided excellent linearity and high sensitivity with limits of detection below 100ng/L (0.5nM). Example analyses of unspiked and spiked drinking and river water are shown. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. A Computational Study of Structure and Reactivity of N-Substitued-4-Piperidones Curcumin Analogues and Their Radical Anions

    Directory of Open Access Journals (Sweden)

    Maximiliano Martínez-Cifuentes


    Full Text Available In this work, a computational study of a series of N-substitued-4-piperidones curcumin analogues is presented. The molecular structure of the neutral molecules and their radical anions, as well as their reactivity, are investigated. N-substituents include methyl and benzyl groups, while substituents on the aromatic rings cover electron-donor and electron-acceptor groups. Substitutions at the nitrogen atom do not significantly affect the geometry and frontier molecular orbitals (FMO energies of these molecules. On the other hand, substituents on the aromatic rings modify the distribution of FMO. In addition, they influence the capability of these molecules to attach an additional electron, which was studied through adiabatic (AEA and vertical electron affinities (VEA, as well as vertical detachment energy (VDE. To study electrophilic properties of these structures, local reactivity indices, such as Fukui (f+ and Parr (P+ functions, were calculated, and show the influence of the aromatic rings substituents on the reactivity of α,β-unsaturated ketones towards nucleophilic attack. This study has potential implications for the design of curcumin analogues based on a 4-piperidone core with desired reactivity.

  3. Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation. (United States)

    Peverati, Roberto; Siegel, Jay S; Baldridge, Kim K


    A computational investigation is carried out on the parent triaziridine and as a function of N-substituents. Assessment of heat of formation, ring strain energy, barriers to inversion of nitrogen, and NMR criteria leads to understanding of issues related to vicinal lone pair repulsion and aromatic stabilization. Results lead to the proposal of a potentially flat structure with a pi aromatic-like triaziridine system, N(3)(BH(2))(3).

  4. Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides. (United States)

    Soriano-Correa, Catalina; Barrientos-Salcedo, Carolina; Francisco-Márquez, Misaela; Sainz-Díaz, C Ignacio


    Relationships among physicochemical properties, the chemical structure and antibacterial activity of sulfonamides have not been completely explicated yet. Nevertheless, from a therapeutics and prodrugs design point of view, a substituent group can modify the electronic structure, the physicochemical features and chemical reactivity which are critical for the biological activity. In this work, we analyze the substituent effects on the physicochemical properties, toxicity, chemical reactivity and its relation with the bacteriostatic activity of selected sulfonamides by means of DFT-M06-2X calculations in aqueous solution, using quantum chemical and docking descriptors. A correlation between the theoretical acidity and the pKa experimental values has been found. The more active sulfonamides have a larger acidity. The acidity increases with electron-withdrawing substituents. The main reactivity takes place on N4 atoms linked to aromatic ring, and in the SO 2 NH moiety, which are influenced by substituents. Docking descriptors showed binding affinities between sulfonamides and target receptor, the dihydropteroate synthase (DHPS). Copyright © 2018 Elsevier Inc. All rights reserved.

  5. Phosphines with N-heterocyclic boranyl substituents. (United States)

    Kaaz, M; Bender, J; Förster, D; Frey, W; Nieger, M; Gudat, D


    A lithio-diazaborole reacted with diamino-chlorophosphines via metathesis to yield previously unavailable phosphinoboranes bearing amino substituents at both the phosphorus and boron atoms, and with Ph2PCl and Mes*PCl2via chloride transfer and reductive PP coupling to give a chloro-diazaborole and the corresponding diphosphine or diphosphene, respectively. Diazaboroles with phenylphosphino- and PH2-substituents were nonetheless accessible via inverse metathesis upon treatment of a bromoborane precursor with phosphides PhnPH2-nM (n = 0-2, M = Li, K). The products were characterised by spectroscopic data and in most cases by single-crystal X-ray diffraction studies which show the molecules to exhibit strongly pyramidal coordination at the phosphorus atom and long BP bonds of 1.93-1.95 Å. The insensitivity of the BP distance towards substituent effects and the tolerance of large sterically induced torsional twists along the BP bond axis suggest the presence of pure single bonds without any contribution from P→B dative π-interactions. This view was confirmed by DFT studies which indicate further that the molecules lack a significant electrophilic character at boron but may act as potential σ-donor/π-acceptor ligands through the phosphorus atom.

  6. The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge

    International Nuclear Information System (INIS)

    Palusiak, Marcin; Simon, Silvia; Sola, Miquel


    The proton transfer in malonaldehyde and in some of its derivatives have been considered in order to study the interrelation between the reaction barrier and the π-delocalization in the quasi-ring. A set of simple and mostly common substituents having different properties in resonance effect according to values of substituents constants were chosen in order to simulate the influence of substitution in position 2 or in position 1 (or 3) of malonaldehyde on the quasi-aromaticity and H-bonding. The following substituents have been taken into consideration: NO, NO 2 , CN, CHO, F, H, CH 3 , OCH 3 , OH, and NH 2 . Our results show that when the substituent is attached at position 2 of the quasi-ring, the resonance effect predominates over the field/inductive effect which leads to changes in H-bonding and quasi-aromaticity of the ring motif, while in the case of 1(3) substitution the field/inductive effect is significantly more effective influencing the HB strength, and thus, the proton transfer barrier. Somehow counterintuitively, for the 1(3) substituted systems, the most stable isomer is the one having the weakest HB and lower aromaticity. The reason for this surprising behaviour is discussed

  7. Factors influencing ring closure through olefin metathesis-A ...

    Indian Academy of Sciences (India)

    Success of ring closure reactions of substrates having two terminal alkenes through olefin metathesis depends on a number of factors such as catalysts, nature and size of the rings to be formed and the substituents/functional groups present on the alkenes as well as at the allylic position. This article presents an overview of ...

  8. Synthesis of the fully functionalized ABCDE ring moiety of ciguatoxin. (United States)

    Kobayashi, Shoji; Alizadeh, Babak H; Sasaki, Shin-ya; Oguri, Hiroki; Hirama, Masahiro


    A fully functionalized ABCDE ring moiety of ciguatoxin (CTX), the major causative agent of ciguatera poisoning, was synthesized for the first time. The present strategy involves the efficient installation of the C5-dihydroxybutenyl substituent and construction of the tetrahydrooxepin E ring using a novel alpha-chlorosulfide synthon. [structure: see text

  9. Pollution by s-triazine herbicides on waters. Electrochemical study on the simazine and propazone reductive deactivation; Contaminacion de aguas por herbicidas s-triazinicos. Estudio electroquimico de la desactivacion reductiva de simazina y propazina

    Energy Technology Data Exchange (ETDEWEB)

    Marin Galvin, R.; Rodriguez Mellado, J. M.; Higuera, M. J. [Universidad de Cordoba (Spain); Ruiz Montoya, M. [Universidad de Huelva (Spain)


    The s-Triazine herbicides are actually very used in the world's agricultural practices. Due to this they are widely found in soils and waters. In this sense, these herbicides can be deactivated by photooxidative way in that aquatic environments well sun-lighted and oxygenated. This paper deals on a electrochemical study al laboratory-scale on the reduction of simazine and propazine on mercury electrodes. According results, the global processes is irreversible and it is carried out at potentials of -1.000 mV and solutions with pH<4,0. The products then obtained are non aromatic and non chlorinated and must be reasonably of a lower toxicity than that of the primitive herbicides. The above implies that this reductive way could be applied to detoxify wastewaters herbicide-polluted by using another electrodes different of that mercury. On the other hand, the natural deactivation of natural waters containing simazine and propazine could theoretically act by this reductive way in acids, very poor oxygenated and rich in suspended materials waters (specially, carbonaceous). (Author) 23 refs.

  10. ESIPT fluorescent dyes with adjustable optical properties: Substituent and conjugation effects

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Kew-Yu, E-mail:; Tsai, Hsing-Yang; Lin, Wei-Chi; Chu, Hou-Hsein; Weng, Yu-Ching; Chan, Chih-Chieh


    Based on the design and synthesis of 10-hydroxybenzo[h]quinoline (3) derivatives, we demonstrate a prototypical system to investigate both substituent and conjugation effects on excited-state intramolecular proton transfer emission through a combination of experimental and theoretical studies. On the one hand, adding an electron-withdrawing substituent at the phenol ring in 3 results in a decrease of HOMO, and hence, an increase in the energy gap of the keto-tautomer emission (o-4 and p-4). An opposite effect is observed when an electron-donating substituent is added (1). On the other hand, the elongation of the p-conjugation length by the installed 2-methylenemalononitrile group (o-2 and p-2) induces further π-electron delocalization, and thus a smaller emission energy gap. Time-dependent density functional theory calculations on these proton transfer dyes are reported in order to rationalize their electronic structure and optical properties. - Highlights: • A novel series of 10-hydroxybenzo[h]quinoline derivatives was synthesized. • These molecules undergo an excited-state intramolecular proton transfer reaction. • The proton-transfer emission can be fine-tuned from 600 nm to 655 nm.

  11. Substituent Effects in π-Stacking of Histidine on Functionalized-SWNT and Graphene. (United States)

    Tian, Ge; Li, Huifang; Ma, Wanyong; Wang, Yixuan


    Adsorptions of histidine on the functionalized (10,0) single-walled carbon nanotube (SWNT) and graphene were investigated using density function theory methods, M05-2x and DFT-D. The results show that the binding of the histidine ring to the functionalized SWNT is weaker than that to the pristine SWNT for both singlet and triplet complexes, regardless of the electron-donating (-OH, -NH 2 ) or electron-withdrawing (-COOH) character and their attached sites. The present decreased binding is opposite to the well-known enhanced binding in the substituted benzene dimers. Since the atoms of the histidine are distant from the substituent atoms by over 6Å, there would be no direct interaction between histidine and the substituent as in the case of the substituted benzene systems. The decreased binding can be mainly driven by the aromaticity of the functionalized SWNT. The nucleus-independent chemical shift (NICS) index analysis for the functionalized SWNTs in deed shows that local aromaticity of SWNT is decreased because of the electron redistribution induced by functional groups, and the π-π stacking between the histidine ring and functionalized -SWNT is therefore decreased as compared to the pristine SWNT. However, the above trend does not remain for the binding between the histidine and graphene. The binding of the histidine to the functionalized graphene with -OH and -NH 2 is just slightly weaker than that to the pristine graphene, while its binding to COOH-SWNT becomes a little bit stronger.

  12. Ring transformations of heterocyclic halogeno compounds with nucleophiles. 39

    NARCIS (Netherlands)

    Geerts, J.P.; Plas, van der H.C.


    Treatment of 4-chloro-2-dimethylaminopyrimidine (1a) and its 5-phenyl derivative (1b) with potassium amide in liquid ammonia and subsequent workup of the reaction mixtures lead to the formation of 2-dimethylamino-4-methyl-s-triazine and 4-benzyl-2-dimethylamino-s-triazine, respectively. By extensive

  13. Efficient, regioselective ring-opening of activated aziridine-2-carboxylates with [18F]fluoride

    DEFF Research Database (Denmark)

    Schjøth-Eskesen, Christina; Hansen, Paul Robert; Kjær, Andreas


    Aziridines can undergo a range of ring-opening reactions with nucleophiles. The regio- and stereochemistry of the products depend on the substituents on the aziridine. Aziridine ring-opening reactions have rarely been used in radiosynthesis. Herein we report the ring opening of activated aziridine...

  14. Vortex rings

    CERN Document Server

    Akhmetov, D G


    This text on vortex rings covers their theoretical foundation, systematic investigations, and practical applications such as the extinction of fires at gushing oil wells. It pays special attention to the formation and motion of turbulent vortex rings.

  15. Convergent synthesis of the HIJKLM ring system of ciguatoxin CTX3C. (United States)

    Takamura, Hiroyoshi; Nishiuma, Naoki; Abe, Takashi; Kadota, Isao


    The HIJKLM ring system of ciguatoxin CTX3C was synthesized in a convergent manner. The key steps were a conjugate addition/alkylation sequence, spiroacetalization, intramolecular allylation, ring-closing metathesis, and hydrogenation to form the 36-α-methyl substituent.

  16. Photoelectron spectra and electronic structure of nitrogen analogues of boron β-diketonates with aromatic substituents

    Energy Technology Data Exchange (ETDEWEB)

    Tikhonov, Sergey A., E-mail: [Far Eastern Federal University, 8 Sukhanova St., Vladivostok, 690950 (Russian Federation); Vovna, Vitaliy I. [Far Eastern Federal University, 8 Sukhanova St., Vladivostok, 690950 (Russian Federation); Borisenko, Aleksandr V. [Vladivostok Branch of Russian Customs Academy, 16v Strelkovaya St., Vladivostok, 690034 (Russian Federation)


    Highlights: • The electronic structures of three nitrogen analogues of boron β-diketonates have been investigated. • UV photoelectron spectra have been interpreted. • The structure of the UV photoelectron spectra is in good agreement with the energies and compositions of Kohn-Sham orbitals. - Abstract: The electronic structure of three nitrogen analogoues of boron β-diketonates containing aromatic substituents was studied by the ultraviolet photoelectron spectroscopy and within the density functional theory. In order to determine effects of heteroatom substitution in the chelate ligand, a comparative analysis was carried out for the electronic structure of three model compounds. In a range of model compounds, the HOMO's nature was revealed to be the same. The HOMO-1 orbital of nitrogen containing compounds is determined by the presence of lone electron pairs of nitrogen. In a range of the complexes under study, the influence of aromatic substituents on the electronic structure was defined. In the imidoylamidinate complex, in contrast to formazanates and β-diketonates, it was found the absence of any noticeable mixing of π-orbitals of the chelate and benzene rings. It was shown that within energy range to 11 eV, the calculated results reproduce well the energy differences between the ionized states of complexes.

  17. Planetary Rings (United States)

    Tiscareno, Matthew S.

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

  18. Substituent Inductive Effects on the Electrochemical Oxidation of Flavonoids Studied by Square Wave Voltammetry and Ab Initio Calculations. (United States)

    Arroyo-Currás, Netzahualcóyotl; Rosas-García, Víctor M; Videa, Marcelo


    Flavonoids are natural products commonly found in the human diet that show antioxidant, anti-inflammatory and anti-hepatotoxic activities. These nutraceutical properties may relate to the electrochemical activity of flavonoids. To increase the understanding of structure-electrochemical activity relations and the inductive effects that OH substituents have on the redox potential of flavonoids, we carried out square-wave voltammetry experiments and ab initio calculations of eight flavonoids selected following a systematic variation in the number of hydroxyl substituents and their location on the flavan backbone: three flavonols, three anthocyanidins, one anthocyanin and the flavonoid backbone flavone. We compared the effect that the number of -OH groups in the ring B of flavan has on the oxidation potential of the flavonoids considered, finding linear correlations for both flavonols and anthocyanidins ( R 2 = 0.98 ). We analyzed the effects that position and number of -OH substituents have on electron density distributions via ab initio quantum chemical calculations. We present direct correlations between structural features and oxidation potentials that provide a deeper insight into the redox chemistry of these molecules.

  19. Storage rings

    Energy Technology Data Exchange (ETDEWEB)

    O' Neill, Gerald K.


    The development of storage rings is discussed. Advantages of such devices are pointed out as well as their limits, requirements, and design and fabrication problems. Information gained by the operation of small electron storage rings is included, and three experiments are proposed for colliding-beam facilities. (D.C.W.)

  20. The solvent and substituent effects on bond dissociation energies of ...

    Indian Academy of Sciences (India)

    The solvent and substituent effects on bond dissociation energies of NO-donor molecules containing the N-NO bond ... College of Physics and Engineering, Henan University of Science and Technology, Luoyang 471003 China; Department of Physics and Chemistry, Henan polytechnic University, Jiaozuo 454000 China ...

  1. Determinantal rings

    CERN Document Server

    Bruns, Winfried


    Determinantal rings and varieties have been a central topic of commutative algebra and algebraic geometry. Their study has attracted many prominent researchers and has motivated the creation of theories which may now be considered part of general commutative ring theory. The book gives a first coherent treatment of the structure of determinantal rings. The main approach is via the theory of algebras with straightening law. This approach suggest (and is simplified by) the simultaneous treatment of the Schubert subvarieties of Grassmannian. Other methods have not been neglected, however. Principal radical systems are discussed in detail, and one section is devoted to each of invariant and representation theory. While the book is primarily a research monograph, it serves also as a reference source and the reader requires only the basics of commutative algebra together with some supplementary material found in the appendix. The text may be useful for seminars following a course in commutative ring theory since a ...

  2. ring system

    African Journals Online (AJOL)

    1,3,2-DIAZABORACYCLOALKANE. RING SYSTEM. Negussie Retta" and Robert H. Neilson. 'Department of Chemistry, Addis Ababa University, P.O. Box 1176, Addis Ababa, Ethiopia. Department of Chemistry, Texas Christian University.

  3. Vascular ring (United States)

    ... trachea) and esophagus can lead to breathing and digestive problems. The more the ring presses down, the more severe the symptoms will be. Breathing problems may include: ... Digestive symptoms are rare, but may include: Choking Difficulty ...

  4. Influence of Introduced Substituents on the Anion-selectivity of [14]Tetraazaannulene Complexes. (United States)

    Moriuchi-Kawakami, Takayo; Obita, Minako; Tsujinaka, Toshiki; Shibutani, Yasuhiko


    Nickel(II) complexes of [14]tetraazaannulene derivatives incorporating aromatic rings into their azaannulene framework were synthesized, and the anion-selectivity of the [14]tetraazaannulene nickel complexes 1 - 4 was evaluated by potentiometric measurements with solvent polymeric membrane electrodes. All of the [14]Tetraazaannulene nickel complexes, except 3, were found to exhibit high selectivity for the I(-) ion over the SCN(-) ion, although considerable interference of the ClO4(-) ion was observed in all 1 - 4 complexes. Concerning the anion-selectivities of 1 and 4, the incorporation of naphthalene rings into the azaannulene framework decreased not only the interference of the ClO4(-) ion but also the I(-) ion-selectivity over the SCN(-) ion. Comparison studies between the dibenzotetraaza[14]annulene nickel complexes 1 - 3 indicated that differences in the attached substituents of the [14]tetraazaannulene nickel complexes greatly influenced the ion-selectivity as ionophores. According to our computational results, the ionophoric properties of [14]tetraazaannulene nickel complexes 1 - 4 were influenced by their electrostatic properties rather than their topological properties.

  5. Structures and properties of molecular torsion balances to decipher the nature of substituent effects on the aromatic edge-to-face interaction. (United States)

    Gardarsson, Haraldur; Schweizer, W Bernd; Trapp, Nils; Diederich, François


    Various recent computational studies initiated this systematic re-investigation of substituent effects on aromatic edge-to-face interactions. Five series of Tröger base derived molecular torsion balances (MTBs), initially introduced by Wilcox and co-workers, showing an aromatic edge-to-face interaction in the folded, but not in the unfolded form, were synthesized. A fluorine atom or a trifluoromethyl group was introduced onto the edge ring in ortho-, meta-, and para-positions to the C-H group interacting with the face component. The substituents on the face component were varied from electron-donating to electron-withdrawing. Extensive X-ray crystallographic data allowed for a discussion on the conformational behavior of the torsional balances in the solid state. While most systems adopt the folded conformation, some were found to form supramolecular intercalative dimers, lacking the intramolecular edge-to-face interaction, which is compensated by the gain of aromatic π-stacking interactions between four aryl rings of the two molecular components. This dimerization does not take place in solution. The folding free enthalpy ΔG(fold) of all torsion balances was determined by (1)H NMR measurements by using 10 mM solutions of samples in CDCl3 and C6D6. Only the ΔG(fold) values of balances bearing an edge-ring substituent in ortho-position to the interacting C-H show a steep linear correlation with the Hammett parameter (σ(meta)) of the face-component substituent. Thermodynamic analysis using van't Hoff plots revealed that the interaction is enthalpy-driven. The ΔG(fold) values of the balances, in addition to partial charge calculations, suggest that increasing the polarization of the interacting C-H group makes a favorable contribution to the edge-to-face interaction. The largest contribution, however, seems to originate from local direct interactions between the substituent in ortho-position to the edge-ring C-H and the substituted face ring. © 2014 WILEY

  6. Substituent effect on redox potential of nitrido technetium complexes with Schiff base ligand. Theoretical calculations

    International Nuclear Information System (INIS)

    Takayama, T.; Sekine, T.; Kudo, H.


    Theoretical calculations based on the density functional theory (DFT) were performed to understand the effect of substituents on the molecular and electronic structures of technetium nitrido complexes with salen type Schiff base ligands. Optimized structures of these complexes are square pyramidal. The electron density on a Tc atom of the complex with electron withdrawing substituents is lower than that of the complex with electron donating substituents. The HOMO energy is lower in the complex with electron withdrawing substituents than that in the complex with electron donating substituents. The charge on Tc atoms is a good measure that reflects the redox potential of [TcN(L)] complex. (author)

  7. Ring accelerators

    International Nuclear Information System (INIS)

    Gisler, G.; Faehl, R.


    We present two-dimensional simulations in (r-z) and r-theta) cylinderical geometries of imploding-liner-driven accelerators of rings of charged particles. We address issues of azimuthal and longitudinal stability of the rings. We discuss self-trapping designs in which beam injection and extraction is aided by means of external cusp fields. Our simulations are done with the 2-1/2-D particle-in-cell plasma simulation code CLINER, which combines collisionless, electromagnetic PIC capabilities with a quasi-MHD finite element package

  8. Topological rings

    CERN Document Server

    Warner, S


    This text brings the reader to the frontiers of current research in topological rings. The exercises illustrate many results and theorems while a comprehensive bibliography is also included. The book is aimed at those readers acquainted with some very basic point-set topology and algebra, as normally presented in semester courses at the beginning graduate level or even at the advanced undergraduate level. Familiarity with Hausdorff, metric, compact and locally compact spaces and basic properties of continuous functions, also with groups, rings, fields, vector spaces and modules, and with Zorn''s Lemma, is also expected.

  9. Ring interferometry

    CERN Document Server

    Malykin, Grigorii B; Zhurov, Alexei


    This monograph is devoted to the creation of a comprehensive formalism for quantitative description of polarized modes' linear interaction in modern single-mode optic fibers. The theory of random connections between polarized modes, developed in the monograph, allows calculations of the zero shift deviations for a fiber ring interferometer. The monograph addresses also the

  10. Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines--a combined experimental and theoretical study. (United States)

    Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam


    Two series of new soluble conjugated compounds containing tetrazine central ring have been synthesized. The three-ring compounds have been synthesized by the reaction of aryl cyanide (where aryl = thienyl, alkylthienyl, phenyl or pyridyl) with hydrazine followed by oxidation of the intermediate product with diethyl azodicarboxylate. The five-ring compounds have been prepared using two pathways: (i) reaction of 5-cyano-2,2'-bithiophene (or its alkyl derivative) with hydrazine; (ii) via Suzuki or Stille coupling of 3,6-bis(5-bromo-2-thienyl)-1,2,4,5-tetrazine with a stannyl or boronate derivative of alkylthiophene. UV-vis spectroscopic properties of the synthesized compounds are strongly dependent on the nature of the aryl group, the position of the solubilizing substituent and the length of the molecule, showing the highest bathochromic shift (λ(max) > 440 nm) for five-ring compounds with alkyl groups attached to C(α) carbon in the terminal thienyl ring. An excellent linear correlation has been found for spectroscopically determined and theoretically calculated (TD-B3LYP/6-31G*) excitation energies. With the exception of dipyridyl derivative, the calculated lowest unoccupied molecular orbital (LUMO) level of the investigated molecules changes within a narrow range (from -2.63 to -2.41 eV), in line with the electrochemical data, which show a reversible reduction process with the redox potential varying from -1.23 V to -1.33 V (vs. Fc/Fc(+)). The electrochemically determined positions of the LUMO levels are consistently lower by 0.9 to 1.2 eV with respect to the calculated ones. All molecules readily crystallize. Single crystal studies of 3,6-bis(2,2'-bithien-5-yl)-1,2,4,5-tetrazine show that it crystallizes in a P2(1)/c space group whose structural arrangement is not very favorable to the charge carriers flow within the crystal. Powder diffraction studies of other derivatives have shown that their structural organization is sensitive to the position of the

  11. Battery electrolytes based on saturated ring ionic liquids: Physical and electrochemical properties

    International Nuclear Information System (INIS)

    Di Leo, Roberta A.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.


    Physical and electrochemical properties of mixtures of ionic liquids based on saturated ring systems with carbonate based solvents were investigated. The conductivity and electrochemical stability of two series of ionic liquids based on piperidinium and pyrrolidinium cations with tetrafluoroborate and bis(trifluorosulfonylimide) anions were evaluated. The effects of the ionic liquid cation, substituent chain length of the cation function group, and the anion type on conductivity and electrochemical stability as determined by cyclic voltammetry were studied. The conductivity was influenced by the substituent chain length of the ionic liquid cation and the solvent carbonate type, where higher conductivities were observed with shorter substituent chains and EC versus PC. The saturated ring ionic liquid–carbonate mixtures may show particular promise for implementation as battery electrolytes due to notable high voltage stabilities, where stability >5.5 V was maintained in the presence of lithium salt. This study should promote development of future safe, high voltage lithium ion battery systems

  12. Lactones 46. Synthesis, antifeedant and antibacterial activity of γ-lactones with a p-methoxyphenyl substituent. (United States)

    Mazur, Marcelina; Skrobiszewski, Andrzej; Gładkowski, Witold; Podkowik, Magdalena; Bania, Jacek; Nawrot, Jan; Klejdysz, Tomasz; Wawrzeńczyk, Czesław


    Lactones are well known for their biological activity. Grosheimin and repin are potent deterrents against storage pests. The unsaturated lactones have exhibited a wide spectrum of antibacterial activity. In our study we focused on the synthesis and evaluation of the biological activity of anisaldehyde derivatives containing lactone function. Four new lactones were synthesized in one-step reductive dehalogenation or dehydrohalogenation reactions. These compounds, together with halolactones synthesized earlier, were tested for their antifeedant activity towards Sitophilus granaries, Trogoderma granarium and Tribolium confusum. The results of the tests showed that the highest activity, comparable with that of azadirachtin, towards all tested pests (total coefficient of deterrence 143.3-183.9) was observed for lactone with a vinyl substituent. The antibacterial activity of these compounds was also evaluated. The most potent lactone was active towards gram-positive bacteria strains. The results of biological tests showed that halogen atom removal significantly increased the antifeedant properties of γ-lactones with a p-methoxyphenyl substituent. Unsaturated lactones are most promising in the context of their possible industrial application as crop protection agents. Further structural modifications of lactones with aromatic rings are needed to find important structural factors increasing the antibacterial activity. © 2015 Society of Chemical Industry.

  13. Tailoring a bacteriochlorin building block with cationic, amphipathic, or lipophilic substituents. (United States)

    Ruzié, Christian; Krayer, Michael; Balasubramanian, Thiagarajan; Lindsey, Jonathan S


    Bacteriochlorins are attractive candidates for photodynamic therapy (PDT) of diverse medical indications owing to their strong absorption in the near-infrared (NIR) region, but their use has been stymied by lack of access to stable, synthetically malleable molecules. To overcome these limitations, a synthetic free base 3,13-dibromobacteriochlorin (BC-Br(3)Br(13)) has been exploited as a building block in the synthesis of diverse bacteriochlorins via Pd-mediated coupling reactions (Sonogashira, Suzuki, and reductive carbonylation). Each bacteriochlorin is stable to adventitious dehydrogenation by virtue of the presence of a geminal dimethyl group in each pyrroline ring. The target bacteriochlorins bear cationic, lipophilic, or amphipathic substituents at the 3- and 13- (beta-pyrrolic) positions. A dicarboxybacteriochlorin was converted to amide derivatives via the intermediate diacid chloride. A diformylbacteriochlorin was subjected to reductive amination to give aminomethyl derivatives. A set of 3,5-disubstituted aryl groups bearing lipophilic or amphipathic groups was introduced via Suzuki coupling. Altogether 22 free base bacteriochlorins have been prepared. Eight aminoalkylbacteriochlorins were quaternized with methyl iodide at two or four amine sites per molecule, which resulted in water solubility. Each bacteriochlorin exhibits a Q(y) absorption band in the range of 720-772 nm. The ability to introduce a wide variety of peripheral functional groups makes these bacteriochlorins attractive candidates for diverse applications in photomedicine including PDT in the NIR region.

  14. Structure of HIV-1 nonnucleoside reverse transcriptase inhibitors derivatives of N-benzyl-benzimidazole with different substituents in position 4 (United States)

    Ziółkowska, Natasza E.; Michejda, Christopher J.; Bujacz, Grzegorz D.


    The constant development of new drugs against HIV-1 is necessary due to global expansion of AIDS and HIV-1 drug resistance. Nonnucleoside reverse transcriptase inhibitors of HIV-1 (NNRTIs) are potentially effective and nontoxic drugs in AIDS therapy. The crystal structures of six nonnucleoside inhibitors of HIV-1 reverse transcriptase (RT) derivatives of N-benzyl-benzimidazole are reported here. The investigated compounds belong to the group of so called "butterfly like" inhibitors with characteristic two π-electron moieties with an angled orientation. The structural data show the influence of the substituents of the benzimidazole ring on the geometry of the molecule and correlation between the structure of the inhibitor and its biological activity.

  15. Quinoxaline-substituted chalcones as new inhibitors of breast cancer resistance protein ABCG2: polyspecificity at B-ring position (United States)

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


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

  16. The influence of different cyclometalated ligand substituents and ancillary ligand on the phosphorescent properties of iridium(III) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Qing; Li, Yuanyuan; Wang, Xin; Wang, Li, E-mail:; Zhang, Jinglai, E-mail:


    Four iridium(III) complexes, (dfpmpy){sub 2}Ir(pic), (1), (dfpmpy){sub 2}Ir(EO{sub 2}-pic) (2), (dfpmpy){sub 2}Ir(pic-N-O) (3), and (dfpmpy){sub 2}Ir(EO{sub 2}-pic-N-O) (4) (dfpmpy = 2-(2,4-difluorophenyl)-4-methylpyridine, pic = picolinic acid, EO{sub 2}-pic = 4-(2-ethoxyethoxy) picolinic acid, pic-N-O = picolinic acid N-oxide, and EO{sub 2}-pic-N-O = 4-(2-ethoxyethoxy) picolinic acid N-oxide) are investigated by means of the density functional theory/time-dependent density functional theory (DFT/TD-DFT) to explore the influence of the ancillary ligand on the electronic structures, phosphorescent properties, and organic light-emitting diode (OLED) performance. Employing pic-N-O and EO{sub 2}-pic-N-O as the ancillary ligands would decrease the vertical energy and result in the red-shifted wavelength. Then, other four iridium(III) complexes (2a-2d) (See Scheme 1) are designed by introduction of the phenyl and −CHO substituents on the pyridine ring and phenyl ring of complex 2, respectively. As compared with complex 2, theoretical results show that newly designed complexes 2a-2c might be potential candidates for blue-emitting phosphors with better/comparable quantum yield and Δλ. Moreover, the performance of complexes 2a and 2c, i.e., introducing phenyl on the para-position of pyridine ring and phenyl ring in dfpmpy ligand, are better than that of 2b. - Highlights: • The structure-property relationship of Ir(III) complexes are investigated. • The effect of different substituents/positions on properties is explored. • Do the emissions follow the Kasha or non-Kasha scenario? • Newly possible blue-emitting Ir(III) complexes are theoretically designed.

  17. DFT studies of the substituent effects of dimethylamino on non-heme active oxidizing species: iron(V)-oxo species or iron(IV)-oxo acetate aminopyridine cation radical species? (United States)

    Wang, Fang; Sun, Wei; Xia, Chungu; Wang, Yong


    Through the introduction of dimethylamino (Me 2 N) substituent at the pyridine ring of 2-((R)-2-[(R)-1-(pyridine-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-ylmethyl)pyridine (PDP) ligand, the non-heme Fe II ( Me2N PDP)/H 2 O 2 /AcOH catalyst system was found to exhibit significant higher catalytic activity and enantioselectivity than the non-substituent one in the asymmetric epoxidation experiments. The mechanistic origin of the remarkable substituent effects in these oxidation reactions has not been well established. To ascertain the potent oxidant and the related reaction mechanism, a detailed DFT calculation was performed. Interestingly, a novel Fe(IV)-oxo Me2N PDP cation radical species, [( Me2N PDP) + · Fe IV (O)(OAc)] 2+ ( Me2N 5), with about one spin spreading over the non-heme Me2N PDP ligand was formed via a carboxylic-acid-assisted O-O bond heterolysis, which is reminiscent of Compound I (an Fe(IV)(O)(porphyrin cation radical) species) in cytochrome P450 chemistry. Me2N 5 is energetically comparable with the cyclic ferric peracetate species Me2N 6, while in the pristine Fe(PDP) catalyst system, H 6 is more stable than H 5. Comparison of the activation energy for the ethylene epoxidation promoted by Me2N 5 and Me2N 6, Me2N 5 is supposed as the true oxidant triggering the epoxidation of olefins. In addition, a systematic research on the substituent effects varied from the electron-donating substituent (dMM, the substituents at sites 3, 4, and 5 of the pyridine ring: methyl, methoxyl, and methyl) to the electron-withdrawing one (CF 3 , 2,6-bis(trifluoromethyl)phenyl) on the electronic structure of the reaction intermediates has also been investigated. An alternative cyclic ferric peracetate complex is obtained, indicating that the substituents at the pyridine ring of PDP ligands have significant impacts on the electronic structure of the oxidants.

  18. Substituent distribution within cross-linked and hydroxypropylated sweet potato starch and potato starch

    NARCIS (Netherlands)

    Zhao, J.; Schols, H.A.; Chen Zenghong,; Jin Zhengyu,; Buwalda, P.L.; Gruppen, H.


    Revealing the substituents distribution within starch can help to understand the changes of starch properties after modification. The distribution of substituents over cross-linked and hydroxypropylated sweet potato starch was investigated and compared with modified potato starch. The starches were

  19. Effect of N-substituents on redox, optical, and electronic properties of naphthalene bisimides used for field-effect transistors fabrication. (United States)

    Gawrys, Pawel; Djurado, David; Rimarcík, Ján; Kornet, Aleksandra; Boudinet, Damien; Verilhac, Jean-Marie; Lukes, Vladimír; Wielgus, Ireneusz; Zagorska, Malgorzata; Pron, Adam


    Three groups of naphthalene bisimides were synthesized and comparatively studied, namely, alkyl bisimides, alkylaryl ones, and novel bisimides containing the alkylthienyl moiety in the N-substituent. The experimental absorption spectra measured in CHCl(3) exhibit one intensive absorption band that is uniformly detected in the spectral range of 340 to 400 nm for all studied molecules. This band consists of three or four vibronic peaks. The introduction of an alkylthienyl group results in the appearance of an additional band (in the spectral range from 282 to 326 nm, depending on the position of the substituent) that can be ascribed to the pi-pi* transition in the thienyl chromophore. The minimal substituent effect on the lowest electronic transitions was explained using the quantum chemical calculations based on the time-dependent density functional theory. The investigation of the shapes of frontier orbitals have also shown that the oxidation of bisimides containing thiophene moiety is primary connected with the electron abstraction from the thienyl ring. To the contrary, the addition of an electron in the reduction process leads to an increase in the electron density in the central bisimide core. As shown by the electrochemical measurements, the onset of the first reduction potential (so-called "electrochemically determined LUMO level") is sensitive toward the type of the substituent being shifted from about -3.72 eV for bisimides with alkyl substituents to about -3.83 eV for alkylaryl ones and to about -3.94 eV for bisimides with thienyl groups. The presence of the thienyl ring also lowers the energy difference between the HOMO and LUMO orbitals. These experimental data can be well correlated with the DFT calculations in terms of HOMO/LUMO shapes and energies. Taking into account the low position of their LUMO level and their highly ordered supramolecular organization, the new bisimides are good candidates for the use in n-channel field effect transistors

  20. Design, synthesis and in vitro pharmacology of GluK1 and GluK3 antagonists. Studies towards the design of subtype-selective antagonists through 2-carboxyethyl-phenylalanines with substituents interacting with non-conserved residues in the GluK binding sites

    DEFF Research Database (Denmark)

    Sköld, Niklas; Nielsen, Birgitte; Olsen, Jakob


    In order to identify compounds selective for the GluK1 and GluK3 subtypes of kainate receptors we have designed and synthesized a series of (S)-2-amino-3-((2-carboxyethyl)phenyl)propanoic acid analogs with hydrogen bond donating and accepting substituents on the aromatic ring. Based on crystal...

  1. Influence of substituents on positron annihilation in styrene copolymers

    International Nuclear Information System (INIS)

    Baranowski, A.; Debowska, M.; Jerie, K.; Rudzinska-Girulska, J.


    Results of angular correlation of annihilation radiation (ACAR) and positron annihilation lifetime (PAL) measurements are presented for five styrene copolymers: poly(co-styrene-phenylmaleimide) and its three derivatives with chlorine as well as for one with the OH group substituted at the benzene ring. It occurs that the chlorine substituted at three different positions at the benzene ring poly(co-styrene-o (or -m,-p)-chlorophenylmaleimide) inhibits the formation of the positronium to different extent. The greatest effect is observed in case of the chlorine atom substituted at the benzene ring at the ortho-position towards the nitrogen atom. The two long lifetime (τ 3 and τ 4 ) observed in the lifetime spectra are connected with the bimodal distributions of the free volume radius in the samples. (author) 13 refs.; 3 figs.; 3 tabs

  2. Ringing phenomenon of the fiber ring resonator. (United States)

    Ying, Diqing; Ma, Huilian; Jin, Zhonghe


    A resonator fiber-optic gyro (R-FOG) is a high-accuracy inertial rotation sensor based on the Sagnac effect. A fiber ring resonator is the core sensing element in the R-FOG. When the frequency of the fiber ring resonator input laser is swept linearly with time, ringing of the output resonance curve is observed. The output field of the fiber ring resonator is derived from the superposition of the light transmitted through the directional coupler directly and the multiple light components circulated in the fiber ring resonator when the frequency of the laser is swept. The amplitude and phase of the output field are analyzed, and it is found that the difference in time for different light components in the fiber ring resonator to reach a point of destructive interference causes the ringing phenomenon. Finally the ringing phenomenon is observed in experiments, and the experimental results agree with the theoretical analysis well.


    Directory of Open Access Journals (Sweden)

    M. B. Smirnov


    Full Text Available The paper has proved that an associative ring which is solvable of a n- class as a Lie ring has a nilpotent ideal of the nilpotent class not more than 3×10n–2  and a corresponding quotient ring satisfies an identity [[x1, x2, [x3, x4

  4. Radical theory of rings

    CERN Document Server

    Gardner, JW


    Radical Theory of Rings distills the most noteworthy present-day theoretical topics, gives a unified account of the classical structure theorems for rings, and deepens understanding of key aspects of ring theory via ring and radical constructions. Assimilating radical theory's evolution in the decades since the last major work on rings and radicals was published, the authors deal with some distinctive features of the radical theory of nonassociative rings, associative rings with involution, and near-rings. Written in clear algebraic terms by globally acknowledged authorities, the presentation

  5. Photochemical Rearrangement of Diarylethenes: Reaction Efficiency and Substituent Effects. (United States)

    Zakharov, Alexey V; Gaeva, Elena B; Lvov, Andrey G; Metelitsa, Anatoly V; Shirinian, Valerii Z


    In recent years, great synthetic potential of the photorearrangement of diarylethenes leading to naphthalene derivatives via a cascade process of photocyclization/[1,n]-H shift/cycloreversion has been demonstrated. In this work, first a multifaceted study of the influence of various factors on the efficiency of the photorearrangement of diarylethenes of furanone series containing benzene and oxazole derivatives as aryl residues has been carried out. The efficiency of this phototransformation (quantum yields) and the effect of methoxy substituents in the phenyl moiety have been studied. Despite the multistage process, the quantum yields of the photorearrangement are rather high (0.34-0.49). It has been found that the efficiency of photocyclization of diarylethenes increases with the introduction of electron-donating methoxy groups in the phenyl moiety. Using the DFT calculations, we have been able to estimate in the photoinduced isomer the distance between hydrogen atom and carbon atom to which it migrates in the result of the sigmatropic shift. For all studied diarylethenes, this value was 2.67-2.73 Å, which is less than the sum of van der Waals radii of carbon and hydrogen atoms (2.9 Å).

  6. Preparation and characterization of mu-nitrido diiron phthalocyanines with electron-withdrawing substituents: application for catalytic aromatic oxidation. (United States)

    Işci, Umit; Afanasiev, Pavel; Millet, Jean-Marc M; Kudrik, Evgeny V; Ahsen, Vefa; Sorokin, Alexander B


    Mu-nitrido-bis [tetra-(hexyl-sulfonyl)phthalocyaninatoiron] (3a) and mu-nitrido-bis [tetra-(tert-butylsulfonyl) phthalocyaninatoiron] (3b) complexes have been prepared and fully characterized by electrospray ionization mass spectrometry, UV-Vis, FTIR, EPR, Mössbauer techniques as well as by X-ray photoelectron and Fe K-edge X-ray absorption spectroscopies. Small changes at the periphery of the phthalocyanine ligand introduce a difference in the iron oxidation state. While 3b with tert-butyl substituents is a neutral complex with a mixed-valence Fe(3.5)-N-Fe(3.5) structural unit, 3a having n-hexyl substituents is an oxidized cationic Fe(IV)-N-Fe(IV) complex. The structural parameters of N-bridged diiron phthalocyanine with a Fe(3.5)-N-Fe(3.5) unit were determined for the first time. Iron atoms in 3b are displaced out of plane by 0.24 A and the Fe-N bond distance of the linear Fe-N-Fe fragment is equal to 1.67 A. Both complexes selectively catalyze benzylic oxidation of alkyl aromatic compounds by tBuOOH. Toluene was oxidized to benzoic acid with 80% selectivity, and the total turnover number was as high as 197. p-Toluic acid was the principal product of p-xylene oxidation. In this case the turnover number achieved 587 substrate molecules per molecule of catalyst. The described catalytic system is complementary to the recently reported system based on mu-nitrido diiron tetrabutylphthalocyanine-H2O2 which effectively oxidizes the benzene ring.

  7. Stirling engine piston ring (United States)

    Howarth, Roy B.


    A piston ring design for a Stirling engine wherein the contact pressure between the piston and the cylinder is maintained at a uniform level, independent of engine conditions through a balancing of the pressure exerted upon the ring's surface and thereby allowing the contact pressure on the ring to be predetermined through the use of a preloaded expander ring.

  8. Alternative loop rings

    CERN Document Server

    Goodaire, EG; Polcino Milies, C


    For the past ten years, alternative loop rings have intrigued mathematicians from a wide cross-section of modern algebra. As a consequence, the theory of alternative loop rings has grown tremendously. One of the main developments is the complete characterization of loops which have an alternative but not associative, loop ring. Furthermore, there is a very close relationship between the algebraic structures of loop rings and of group rings over 2-groups. Another major topic of research is the study of the unit loop of the integral loop ring. Here the interaction between loop rings and group ri

  9. The '2+1' construction of homooxacalix[3]arenes possessing different substituents on their upper rims. (United States)

    Tsubaki, K; Mukoyoshi, K; Otsubo, T; Fuji, K


    Several homooxacalix[3]arenes possessing different substituents on their upper rims were synthesized in yields of 7-20% by a condensation reaction between the p-substituted-phenol dimer and monomer under acidic high-dilution conditions.

  10. Towards physical interpretation of substituent effects: the case of N- and C3-substituted pyrrole derivatives

    Czech Academy of Sciences Publication Activity Database

    Zborowski, K. K.; Szatylowicz, H.; Stasyuk, Olga A.; Krygowski, T. M.


    Roč. 28, č. 4 (2017), s. 1223-1227 ISSN 1040-0400 Institutional support: RVO:61388963 Keywords : substituent effect * pyrrole derivatives * Hammett equation * charges of the substituent active region Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.582, year: 2016

  11. Real Closed Rings and Real Closed * Rings


    Capco, Jose


    Here we try to distinguish and compare different notions of real closedness mainly one developed by N. Schwartz in his Habilitationschrift and the other developed by A. Sankaranand K. Varadarajan which we shall call real closed *. We stick to the definition of real closed rings as defined and characterized N. Schwartz and we try to determine and characterize real closed rings that are real closed *. The main result is that real closed rings have unique real closure * and that real closure of ...

  12. Quantitative drug design studies. II. Development and application of new electronic substituent parameters. (United States)

    Esaki, T


    New electronic substituent parameters for quantitative drug design were developed from the standpoint of the frontier orbital theory using the extended Hückel method. Each substituent was characterized by three constants (E, Re, I), which were derived from the SOMO (solely occupied molecular orbital) energy and the coefficient of the SOMO hybrid orbital responsible for bonding to the parent moiety. These correspond to the SOMO-SOMO energy difference (E), the resistivity of the path (Re), and the flow intensity (I) respectively, when the frontier electron flow occurs between the standard parent and the substituent. They can be regarded as major factors governing the electronic inductive-field effect of the substituent. As the result of analyses of various kinds of biological data, they were found to be excellent and widely applicable parameters to the structure-activity problems. In this paper, the new frontier substituent constant values for 150 kinds of substituents and 58 kinds of equations to which the new constants were successfully applied are presented.

  13. Substituent effects on spin state in a series of mononuclear manganese(III) complexes with hexadentate Schiff-Base ligands. (United States)

    Gildea, Brendan; Harris, Michelle M; Gavin, Laurence C; Murray, Caroline A; Ortin, Yannick; Müller-Bunz, Helge; Harding, Charles J; Lan, Yanhua; Powell, Annie K; Morgan, Grace G


    Eleven new mononuclear manganese(III) complexes prepared from two hexadentate ligands, L1 and L2, with different degrees of steric bulk in the substituents are reported. L1 and L2 are Schiff bases resulting from condensation of N,N'-bis(3-aminopropyl)ethylenediamine with 3-methoxy-2-hydroxybenzaldehyde and 3-ethoxy-2-hydroxybenzaldehyde respectively, and are members of a ligand series we have abbreviated as R-Sal2323 to indicate the 323 alkyl connectivity in the starting tetraamine and the substitution (R) on the phenolate ring. L1 hosts a methoxy substituent on both phenolate rings, while L2 bears a larger ethoxy group in the same position. Structural and magnetic properties are reported in comparison with those of a previously reported analogue with L1, namely, [MnL1]NO3, (1e). The BPh4(-) and PF6(-) complexes [MnL1]BPh4, (1a), [MnL2]BPh4, (2a), [MnL1]PF6, (1b'), and [MnL2]PF6, (2b), with both ligands L1 and L2, remain high-spin (HS) over the measured temperature range. However, the monohydrate of (1b') [MnL1]PF6·H2O, (1b), shows gradual spin-crossover (SCO), as do the ClO4(-), BF4(-), and NO3(-) complexes [MnL1]ClO4·H2O, (1c), [MnL2]ClO4, (2c), [MnL1]BF4·H2O, (1d), [MnL2]BF4·0.4H2O, (2d), [MnL1]NO3, (1e), and [MnL2]NO3·EtOH, (2e). The three complexes formed with ethoxy-substituted ligand L2 all show a higher T1/2 than the analogous complexes with methoxy-substituted ligand L1. Analysis of distortion parameters shows that complexes formed with the bulkier ligand L2 exhibit more deformation from perfect octahedral geometry, leading to a higher T1/2 in the SCO examples, where T1/2 is the temperature where the spin state is 50% high spin and 50% low spin. Spin state assignment in the solid state is shown to be solvate-dependent for complexes (1b) and (2e), and room temperature UV-visible and NMR spectra indicate a solution-state spin assignment intermediate between fully HS and fully low spin in 10 complexes, (1a)-(1e) and (2a)-(2e).

  14. Influence of substituent type on properties of starch derivates

    Directory of Open Access Journals (Sweden)

    Stojanović Željko P.


    Full Text Available The subject of the study was investigation of influence of substituent type on the properties of starch derivates in diluted solutions. Three samples were prepared: two anionic (carboxymethyl starch, CMS and one cationic starch (KS. Starch derivates were synthesized in two steps. The first step was preparation of alkali starch by the addition of sodium-hydroxide to the starch dispersed in ethanol or water. In the second step, the required amount of sodium monocloracetate or 3-chloro-2-hydroxypropyl-threemethylamonium chloride was added to the obtained alkali starch in order to prepare CMS or KS, respectively. The degree of substitution of carboxymethyl starch was determined by back titration method, and the degree of substitution of cationic starch was determined by potentiometric titration. The degrees of substitution of prepared samples were: 0.50 (assigned as CMS-0.50 and 0.70 (assigned as CMS-0.70 for carboxymethyl starch and 0.30 (assigned as KS-0.30 for cationic starch. The properties of starch derivatives in dilute solutions were investigated by the methods of static and dynamic light scattering. Aqueous solutions of sodium chloride of different concentrations were used as solvent. The values of the mass average molar mass, MW, radius of gyration, Rg, and second virial coefficient, A2, were determined for all samples together with hydrodynamic radius, Rh. Molar masses of the samples were: 5.06×106, 15.4×106 and 19.2×106 g/mol for CMS-0.50, CMS-0.70 and KS-0.30, respectively. The samples, CMS-0.70 and KS-0.30 had similar molar mass and hydrodynamic radius, but radius of gyration of KS-0.30 was smaller then radius of gyration of CMS-0.70 at all sodium chloride concentrations. Consequently, ρ value for KS-0.30 was smaller then for CMS-0.70, as a result of more compact architecture of KS-0.30 then of CMS-0.70. Kratky graph confirmed this result. For all samples, radius of gyration and hydrodynamic radius decreased with increasing of

  15. Groups, rings, modules

    CERN Document Server

    Auslander, Maurice


    This classic monograph is geared toward advanced undergraduates and graduate students. The treatment presupposes some familiarity with sets, groups, rings, and vector spaces. The four-part approach begins with examinations of sets and maps, monoids and groups, categories, and rings. The second part explores unique factorization domains, general module theory, semisimple rings and modules, and Artinian rings. Part three's topics include localization and tensor products, principal ideal domains, and applications of fundamental theorem. The fourth and final part covers algebraic field extensions

  16. Birth Control Ring (United States)

    ... Staying Safe Videos for Educators Search English Español Birth Control Ring KidsHealth / For Teens / Birth Control Ring What's in this article? What Is ... español Anillo vaginal anticonceptivo What Is It? The birth control ring is a soft, flexible, doughnut-shaped ...

  17. Physics of quantum rings

    CERN Document Server

    Fomin, Vladimir M


    This book deals with a new class of materials, quantum rings. Innovative recent advances in experimental and theoretical physics of quantum rings are based on the most advanced state-of-the-art fabrication and characterization techniques as well as theoretical methods. The experimental efforts allow to obtain a new class of semiconductor quantum rings formed by capping self-organized quantum dots grown by molecular beam epitaxy. Novel optical and magnetic properties of quantum rings are associated with non-trivial topologies at the nanoscale. An adequate characterization of quantum rings is po

  18. The substituent and solvent effects on the antioxidant activity of the ferulic acid derivations

    International Nuclear Information System (INIS)

    Najafi, M.; Bukhari, S.A.


    The antioxidant activity of ortho and meta substituted ferulic acid derivatives have been investigated in the gas phase and water. The reaction enthalpies of antioxidant activity of studied derivatives have been calculated and compared with corresponding values of ferulic acid. Results show that EWG substituents increase the BDE, IP, while EDG ones cause a rise in the PA. The ferulic acid derivatives with lowest BDE, IP and PA values were identified as the compounds with high antioxidant activity. Results show that the substituents at ortho position have high potential for synthesis of novel ferulic acid derivatives. Results show that ferulic acid derivatives can process their protective role via HAT and SPLET mechanism in gas phase and solvent, respectively. The calculated reaction enthalpies of the substituted ferulic acids have linear dependences with Hammett constants and EHOMO that can be utilized in the selection of suitable substituents for the synthesis of novel antioxidants based on ferulic acid. (author)

  19. Effect of substituents on polarizability and hyperpolarizability values of benzimidazole metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    Praveen, P. A.; Babu, R. Ramesh, E-mail: [Crystal Growth and Thin films Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli - 620 024, Tamilnadu (India)


    In this report, the polarizability and first and second order hyperpolarizability values of bis benzimidazole Zn(II)-2R and bis benzimidazole Cd(II)-2R complexes, with different electron donating moieties R (R= Cl, Br, I, Acetate) were calculated using time dependent Hartree-Fock (TDHF) formalism embedded in MOPAC2012 package. Further the role of substituents on polarizability and hyperpolarizability values is investigated for the first time by analyzing the frontier molecular orbitals of the complexes with respect to the electronegativity of the substituents. It is found that the increase in electronegativity of the substituents correspondingly increases the energy gap of the molecules, which in turn reduces the polarizability values of both Zn and Cd benzimidazole complexes. Similarly, increase in electronegativity reduces the electric quadrupole moments of both the metal complexes, which in turn reduces the hyperpolarizability values.

  20. Electrochemiluminescent Detection of Hydrogen Peroxide via Some Luminol Imide Derivatives with Different Substituent Groups

    Directory of Open Access Journals (Sweden)

    Tifeng Jiao


    Full Text Available Some luminol imide derivatives with different substituent groups have been designed and synthesized. Their electrochemiluminescence properties have been measured with a view to developing new biosensors. The ECL response to hydrogen peroxide in the presence of these luminescent derivatives has been investigated taking into account crucial factors such as the applied potential value, injection volume of hydrogen peroxide, and the substituent groups in molecular structures. The experimental data demonstrated that the substituent groups in these imide derivatives can have a profound effect upon the ECL abilities of these studied compounds. The present research work affords new and useful exploration for the design and development of new soft matter for ECL biosensors with luminol functional groups.

  1. Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts. (United States)

    Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki


    Electrochemical CO oxidation by several carbon-supported rhodium tetraphenylporphyrins with systematically varied meso-substituents was investigated. A quantitative analysis revealed that the p-substituents on the meso-phenyl groups significantly affected CO oxidation activity. The electrocatalytic reaction was characterized in detail based on the spectroscopic and X-ray structural results as well as electrochemical analyses. The difference in the activity among Rh porphyrins is discussed in terms of the properties of p-substituents along with a proposed reaction mechanism. Rhodium tetrakis(4-carboxyphenyl)porphyrin (Rh(TCPP)), which exhibited the highest activity among the porphyrins tested, oxidized CO at a high rate at much lower potentials (means that CO is electrochemically oxidized by this catalyst when a slight overpotential is applied during the operation of a proton exchange membrane fuel cell. This catalyst exhibited little H(2) oxidation activity, in contrast to Pt-based catalysts.

  2. Effect of Substituents on the Bond Strength of Air-Stable Dicyanomethyl Radical Thermochromes. (United States)

    Peterson, Joshua P; Geraskina, Margarita R; Zhang, Rui; Winter, Arthur H


    A series of substituted aryl dicyanomethyl radicals were synthesized, and the bonding thermodynamic parameters for self-dimerization were determined from van't Hoff plots obtained from variable-temperature electron paramagnetic resonance and ultraviolet-visible spectroscopy. At low temperatures, the radicals dimerize, but the colored, air-stable free radicals return upon heating. Heating and cooling cycles (5-95 °C) can be repeated without radical degradation and with striking thermochromic behavior. We find a linear free energy relationship between the Hammett para substituent parameter and the dimerization equilibrium constant, with para electron-donating substituents leading to a weaker bond and electron-withdrawing substituents leading to stronger bonds, following a captodative effect. Density functional theory investigations [B98D/6-31+G(d,p)] reveal that the dimers prefer a slip-stacked geometry and feature elongated bonds.

  3. Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions. (United States)

    Tresca, Blakely W; Hansen, Ryan J; Chau, Calvin V; Hay, Benjamin P; Zakharov, Lev N; Haley, Michael M; Johnson, Darren W


    Aryl CH hydrogen bonds (HBs) are now commonly recognized as important factors in a number of fields, including molecular biology, stereoselective catalysis, and anion supramolecular chemistry. As the utility of CH HBs has grown, so to has the need to understand the structure-activity relationship for tuning both their strength and selectivity. Although there has been significant computational effort in this area, an experimental study of the substituent effects on CH HBs has not been previously undertaken. Herein we disclose a systematic study of a single CH HB by using traditional urea donors as directing groups in a supramolecular binding cavity. Experimentally determined association constants are examined by a combination of computational (electrostatic potential) and empirical (σm and σp) values for substituent effects. The dominance of electrostatic parameters, as observed in a computational DFT study, is consistent with current CH HB theory; however, a novel anion dependence of the substituent effects is revealed in solution.

  4. Toward a physical interpretation of substituent effects: the case of fluorine and trifluoromethyl groups. (United States)

    Siodła, Tomasz; Ozimiński, Wojciech P; Hoffmann, Marcin; Koroniak, Henryk; Krygowski, Tadeusz M


    The application of ab initio and DFT computational methods at six different levels of theory (MP2/cc-pVDZ, MP2/aug-cc-pVTZ, B3LYP/cc-pVDZ, B3LYP/aug-cc-pVTZ, M06/cc-pVDZ, and M06/aug-cc-pVTZ) to meta- and para-substituted fluoro- and trifluoromethylbenzene derivatives and to 1-fluoro- and 1-trifluoromethyl-2-substituted trans-ethenes allowed the study of changes in the electronic and geometric properties of F- and CF3-substituted systems under the impact of other substituents (BeH, BF2, BH2, Br, CFO, CHO, Cl, CN, F, Li, NH2, NMe2, NO, NO2, OH, H, CF3, and CH3). Various parameters of these systems have been investigated, including homodesmotic reactions in terms of the substituent effect stabilization energy (SESE), the π and σ electron donor-acceptor indexes (pEDA and sEDA, respectively), the charge on the substituent active region (cSAR, known earlier as qSAR), and bond lengths, which have been regressed against Hammett constants, resulting mostly in an accurate correspondence except in the case of p-fluorobenzene derivatives. Moreover, changes in the characteristics of the ability of the substituent to attract or donate electrons under the impact of the kind of moiety to which the substituent is attached have been considered as the indirect substituent effect and investigated by means of the cSAR model. Regressions of cSAR(X) versus cSAR(Y) for any systems X and Y allow final results to be obtained on the same scale of magnitude.

  5. Nano-rings with a handle – Synthesis of substituted cycloparaphenylenes

    Directory of Open Access Journals (Sweden)

    Anne-Florence Tran-Van


    Full Text Available The research of cycloparaphenylenes (CPPs, the smallest armchair carbon nanotube, has been a quest for the past decades which experienced a revival in 2008 when the first synthesis was achieved. Since then CPPs with various ring sizes have been realized. The incorporation of substituents and the synthesis of CPPs with building blocks different from phenyl rings bear challenges of their own. Such structures, however, are highly interesting, as they allow for an incorporation of CPPs as defined nano-objects for other applications. Therefore, this review provides a status report about the current efforts in synthesizing CPPs beyond the parent unsubstituted oligo-phenylene structure.

  6. Correlation between substituent constants and hyperpolarizabilities for di-substituted trans-azobenzenes. (United States)

    Lin, Tsung-Yi; Chaudhari, Ajay; Lee, Shyi-Long


    Nonlinear optical properties of a series of disubstituted trans-azobenzenes were studied. The structures were fully optimized by B3LYP/6-31+G* and both static polarizabilities and hyperpolarizabilities were then calculated by the derivative method. In order to show the relationships between dipole moments, (hyper)polarizabilities and the structures, three kinds of substituent constants were applied to correlate with both ground state dipole moment and hyperpolarizabilities. Both physical properties have a satisfactory correlation with substituent constants Σσ(+/-) and bond length alternation. Overall, the electronic excitation contribution to the hyperpolarizabilities is rationalized in terms of the two-level model.

  7. IR and NMR spectral studies of 4-bromo-1-naphthyl chalcones-assessment of substituent effects (United States)

    Thirunarayanan, G.; Gopalakrishnan, M.; Vanangamudi, G.


    Infrared νCO (cm -1) of s-cis and s-trans frequencies and nuclear magnetic resonance chemical shifts δ1H (ppm) of H-α and H-β, δ13C (ppm) of C-α and C-β data were assigned from their respective spectra of a series of various substituted styryl 4-bromo-1-naphthyl chalcones. These values are correlated with various Hammett substituent constants. From the results of statistical analysis, the effect of substituents can be explained.

  8. Brane world black rings

    International Nuclear Information System (INIS)

    Sahay, Anurag; Sengupta, Gautam


    Five dimensional neutral rotating black rings are described from a Randall-Sundrum brane world perspective in the bulk black string framework. To this end we consider a rotating black string extension of a five dimensional black ring into the bulk of a six dimensional Randall-Sundrum brane world with a single four brane. The bulk solution intercepts the four brane in a five dimensional black ring with the usual curvature singularity on the brane. The bulk geodesics restricted to the plane of rotation of the black ring are constructed and their projections on the four brane match with the usual black ring geodesics restricted to the same plane. The asymptotic nature of the bulk geodesics are elucidated with reference to a bulk singularity at the AdS horizon. We further discuss the description of a brane world black ring as a limit of a boosted bulk black 2 brane with periodic identification

  9. Token Ring Project

    Directory of Open Access Journals (Sweden)

    Adela Ionescu


    Full Text Available Ring topology is a simple configuration used to connect processes that communicate among themselves. A number of network standards such as token ring, token bus, and FDDI are based on the ring connectivity. This article will develop an implementation of a ring of processes that communicate among themselves via pipe links. The processes are nodes in the ring. Each process reads from its standard input and writes in its standard output. N-1 process redirects the its standard output to a standard input of the process through a pipe. When the ring-structure is designed, the project can be extended to simulate networks or to implement algorithms for mutual exclusion

  10. Token ring technology report

    CERN Document Server


    Please note this is a Short Discount publication. This report provides an overview of the IBM Token-Ring technology and products built by IBM and compatible vendors. It consists of two sections: 1. A summary of the design trade-offs for the IBM Token-Ring. 2. A summary of the products of the major token-ring compatible vendors broken down by adapters and components, wiring systems, testing, and new chip technology.

  11. Spannungsgesteuerter Ring-Oszillator


    Wang, Z.; Thiede, A.


    The oscillator (1) of integrated monolithic design has several analogue amplifier units (2) connected in a ring. The individual amplifiers are frequency selective in regard to a resonance frequency. The phase displacements of the amplifiers are chosen so that the total phase displacement over the ring at the resonance frequencies of the amplifiers amounts to 3600 or a whole number multiple of that. The number of amplifiers selected corresponds to the overall quality factor for the ring oscill...

  12. Radioactive gold ring dermatitis

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.A.; Aldrich, J.E. (Dalhousie Univ., Halifax, Nova Scotia (Canada))


    A superficial squamous cell carcinoma developed in a woman who wore a radioactive gold ring for more than 30 years. Only part of the ring was radioactive. Radiation dose measurements indicated that the dose to basal skin layer was 2.4 Gy (240 rad) per week. If it is assumed that the woman continually wore her wedding ring for 37 years since purchase, she would have received a maximum dose of approximately 4600 Gy.

  13. Vortex and source rings

    DEFF Research Database (Denmark)

    Branlard, Emmanuel Simon Pierre


    The velocity field, vector potential and velocity gradient of a vortex ring is derived in this chapter. The Biot-Savart law for the vector potential and velocity is expressed in a first section. Then, the flow is derived at specific locations: on the axis, near the axis and in the far field where...... is dedicated to vortex rings. Source rings are only briefly mentioned....

  14. Radioactive gold ring dermatitis

    International Nuclear Information System (INIS)

    Miller, R.A.; Aldrich, J.E.


    A superficial squamous cell carcinoma developed in a woman who wore a radioactive gold ring for more than 30 years. Only part of the ring was radioactive. Radiation dose measurements indicated that the dose to basal skin layer was 2.4 Gy (240 rad) per week. If it is assumed that the woman continually wore her wedding ring for 37 years since purchase, she would have received a maximum dose of approximately 4600 Gy

  15. The ring laser gyro (United States)

    Chow, W. W.; Gea-Banacloche, J.; Pedrotti, L. M.; Sanders, V. E.; Schleich, W.; Scully, M. O.


    This paper presents a review of both active and passive ring laser devices. The operating principles of the ring laser are developed and discussed, with special emphasis given to the problems associated with the achievement of greater sensitivity and stability. First-principle treatments of the nature of quantum noise in the ring laser gyro and various methods designed to avoid low-rotation-rate lock-in are presented. Descriptions of state-of-the-art devices and current and proposed applications (including a proposed test of metric theories of gravity using a passive cavity ring laser) are given.

  16. Delocalization does not always stabilize : a quantum chemical analysis of -substituent effects on 54 alkyl and vinyl cations

    NARCIS (Netherlands)

    Alem, van K.; Lodder, G.; Zuilhof, H.


    The effects of -substituents on alkyl and vinyl cations are studied using high-level ab initio calculations. The geometries, stabilities, and electronic properties of 27 alkyl cations and 27 vinyl cations with -substituents are computed at the B3LYP/6-311 G(d,p), MP2/6-311 G(d,p), and CBS-Q levels.

  17. A novel approach to inherently chiral calix[4]arenes by direct introduction of a substituent at the meta position

    NARCIS (Netherlands)

    Verboom, Willem; Bodewes, P.; Bodewes, Paul J.; van Essen, Georget; Timmerman, P.; van Hummel, G.J.; Harkema, Sybolt; Reinhoudt, David


    A novel method for the preparation of inherently chiral calix[4]arenes is described by direct introduction of a substituent in para-acetamido substituted calix[4]arenes. Bromination and nitration of mono(acetamido)calix[4]arenes 5, 6 afforded calix[4]arenes 7¿10, in which the substituent was

  18. N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(I) and iridium(I): structural investigations and preliminary catalytic evaluation. (United States)

    Dunsford, Jay J; Tromp, Dorette S; Cavell, Kingsley J; Elsevier, Cornelis J; Kariuki, Benson M


    A series of new N-alkyl functionalised 6- and 7-membered expanded ring N-heterocyclic carbene (NHC) pro-ligands 3-6 and their corresponding complexes of rhodium(I) and iridium(I), [M(NHC)(COD)Cl] 7-14 and [M(NHC)(CO)2Cl] 15-22 are described. The complexes have been characterised by (1)H and (13)C{(1)H} NMR, mass spectrometry, IR and X-ray diffraction. It is noted from X-ray diffraction studies that the N-alkyl substituents are found to orientate themselves away from the metal centre due to unfavourable steric interactions resulting in low percent buried volume (%V(bur)) values in the solid state. The heterocycle ring size is also found to dictate the spatial orientation of the N-alkyl substituents in the neopentyl functionalised derivatives 10 and 14. The 7-membered derivative 14 allows for a conformational 'twist' of the heterocycle ring with the N-alkyl substituents adopting a mutually trans configuration with respect to each other, while the more rigid 6-membered system 10 does not allow for this conformational 'twist' and consequently the N-alkyl substituents adopt a mutually cis configuration. The σ-donor function of this new class of expanded ring NHC ligand has also been probed by measured IR stretching frequencies of the [M(NHC)(CO)2Cl] complexes 15-22. A preliminary catalytic survey of the hydrogenation of functionalised alkenes with molecular hydrogen under mild conditions has also been undertaken with complex , affording an insight into the application of large ring NHC ancillary ligands bearing N-alkyl substituents in hydrogenation transformations.

  19. Substituent effects in the ortho position: Model compounds with a removed reaction centre

    Czech Academy of Sciences Publication Activity Database

    Böhm, S.; Exner, Otto


    Roč. 81, 5/6 (2007), s. 993-1006 ISSN 0137-5083 Institutional research plan: CEZ:AV0Z40550506 Keywords : substituent effect * density functional theory * ortho effect * steric effect Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.483, year: 2007

  20. Identification of substituent groups and related genes involved in salecan biosynthesis in Agrobacterium sp. ZX09. (United States)

    Xu, Linxiang; Cheng, Rui; Li, Jing; Wang, Yang; Zhu, Bin; Ma, Shihong; Zhang, Weiming; Dong, Wei; Wang, Shiming; Zhang, Jianfa


    Salecan, a soluble β-1,3-D-glucan produced by a salt-tolerant strain Agrobacterium sp. ZX09, has been the subject of considerable interest in recent years because of its multiple bioactivities and unusual rheological properties in solution. In this study, both succinyl and pyruvyl substituent groups on salecan were identified by an enzymatic hydrolysis following nuclear magnetic resonance (NMR), HPLC, and MS analysis. The putative succinyltransferase gene (sleA) and pyruvyltransferase gene (sleV) were determined and cloned. Disruption of the sleA gene resulted in the absence of succinyl substituent groups on salecan. This defect could be complemented by expressing the sleA cloned in a plasmid. Thus, the sleA and sleV genes located in a 19.6-kb gene cluster may be involved in salecan biosynthesis. Despite the lack of succinyl substituents, the molecular mass of salecan generated by the sleA mutant did not substantially differ from that generated by the wild-type strain. Loss of succinyl substituents on salecan changed its rheological characteristics, especially a decrease in intrinsic viscosity.

  1. Role of substituents on the reactivity and electron density profile of ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 5. Role of substituents on the reactivity and electron density profile of diimine ligands: A density functional theory based study. Bhakti S Kulkarni Deepti Mishra Sourav Pal. Volume 125 Issue 5 September 2013 pp 1247-1258 ...

  2. Synthesis and Calcium channel antagonist activity of Nifedipine analogues with Chloroindolyl substituent

    Directory of Open Access Journals (Sweden)

    "Shafiei A


    Full Text Available Various diester analogues of nifedipine in which the ortho nitrophenyl group at position 4 were replaced by 3-chloro-1H-2-indolyl substituent, were synthesized and evaluated as calcium antagonists on guinea-pig ileal smooth muscle. Nifedipine was used as a standard. Compound 6f was found to be the most active.

  3. Novel phosphorus containing epoxy networks based on trihydrocarbyl phosphine oxides having active substituents



    Epoxy resins can be cured or crosslinked with trihydrocarbyl phosphine oxide compounds having epoxy-reactive (active hydrogen) substituents either alone or in combination with amine-terminated polyarylene ethers (e.g., amine-terminated polysulfone oligomers or high polymers.

  4. EBT ring physics

    International Nuclear Information System (INIS)

    Uckan, N.A.


    This workshop attempted to evaluate the status of the current experimental and theoretical understanding of hot electron ring properties. The dominant physical processes that influence ring formation, scaling, and their optimal behavior are also studied. Separate abstracts were prepared for each of the 27 included papers

  5. Children of Sex Rings. (United States)

    Hunt, Patricia; Baird, Margaret


    Outlines three major differentiating categories of children who were sexually abused by sex rings: level of fear, ability to trust, and disclosure confusion. Addresses denial and resistance regarding child sexual exploitation by a ring among practitioners in the child welfare system. (Author/BB)

  6. Illustration of Saturn's Rings (United States)


    This illustration shows a close-up of Saturn's rings. These rings are thought to have formed from material that was unable to form into a Moon because of tidal forces from Saturn, or from a Moon that was broken up by Saturn's tidal forces.

  7. Relativistic ring models

    Energy Technology Data Exchange (ETDEWEB)

    Ujevic, Maximiliano [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil). Centro de Ciencias Naturais e Humanas; Letelier, Patricio S.; Vogt, Daniel [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Matematica, Estatistica e Computacao Cientifica. Dept. de Matematica Aplicada


    Full text: Relativistic thick ring models are constructed using previously found analytical Newtonian potential-density pairs for flat rings and toroidal structures obtained from Kuzmin-Toomre family of discs. This was achieved by inflating previously constructed Newtonian ring potentials using the transformation |z|{yields}{radical}z{sup 2} + b{sup 2}, and then finding their relativistic analog. The models presented have infinite extension but the physical quantities decays very fast with the distance, and in principle, one could make a cut-off radius to consider it finite. In particular, we present systems with one ring, two rings and a disc with a ring. Also, the circular velocity of a test particle and its stability when performing circular orbits are presented in all these models. Using the Rayleigh criterion of stability of a fluid at rest in a gravitational field, we find that the different systems studied present a region of non-stability that appears in the intersection of the disc and the ring, and between the rings when they become thinner. (author)

  8. Imaging rings in ring imaging Cherenkov counters

    Energy Technology Data Exchange (ETDEWEB)

    Ratcliff, Blair N


    The general concepts used to form images in Ring Imaging Cherenkov (RICH) counters are described and their performance properties compared. Particular attention is paid to issues associated with imaging in the time dimension, especially in Detectors of Internally Reflected Cherenkov light (DIRCs).

  9. Rings and their modules

    CERN Document Server

    Bland, Paul E


    This book is an introduction to the theory of rings and modules that goes beyond what one normally obtains in a graduate course in abstract algebra. In addition to the presentation of standard topics in ring and module theory, it also covers category theory, homological algebra and even more specialized topics like injective envelopes and projective covers, reflexive modules and quasi-Frobenius rings, and graded rings and modules. The book is a self-contained volume written in a very systematic style: allproofs are clear and easy for the reader to understand and allarguments are based onmaterials contained in the book. A problem sets follow each section. It is suitable for graduate and PhD students who have chosen ring theory for their research subject.

  10. Self-assembly properties of semiconducting donor-acceptor-donor bithienyl derivatives of tetrazine and thiadiazole-effect of the electron accepting central ring. (United States)

    Zapala, Joanna; Knor, Marek; Jaroch, Tomasz; Maranda-Niedbala, Agnieszka; Kurach, Ewa; Kotwica, Kamil; Nowakowski, Robert; Djurado, David; Pecaut, Jacques; Zagorska, Malgorzata; Pron, Adam


    Scanning tunneling microscopy was used to study the effect of the electron-accepting unit and the alkyl substituent's position on the type and extent of 2D supramolecular organization of penta-ring donor-acceptor-donor (DAD) semiconductors, consisting of either tetrazine or thiadiazole central acceptor ring symmetrically attached to two bithienyl groups. Microscopic observations of monomolecular layers on HOPG of four alkyl derivatives of the studied adsorbates indicate significant differences in their 2D organizations. Ordered monolayers of thiadiazole derivatives are relatively loose and, independent of the position of alkyl substituents, characterized by large intermolecular separation of acceptor units in the adjacent molecules located in the face-to-face configuration. The 2D supramolecular architecture in both derivatives of thiadiazole is very sensitive to the alkyl substituent's position. Significantly different behavior is observed for derivatives of tetrazine (which is a stronger electron acceptor). Stronger intermolecular DA interactions in these adsorbates generate an intermolecular shift in the monolayer, which is a dominant factor determining the 2D structural organization. As a consequence of this molecular arrangement, tetrazine groups (A segments) face thiophene rings (D segments) of the neighboring molecules. Monolayers of tetrazine derivatives are therefore much more densely packed and characterized by similar π-stacking of molecules independently of the position of alkyl substituents. Moreover, a comparative study of 3D supramolecular organization, deduced from the X-ray diffraction patterns, is also presented clearly confirming the polymorphism of the studied adsorbates.

  11. Ring chromosome 13

    DEFF Research Database (Denmark)

    Brandt, C A; Hertz, Jens Michael; Petersen, M B


    A stillborn male child with anencephaly and multiple malformations was found to have the karyotype 46,XY,r(13) (p11q21.1). The breakpoint at 13q21.1, determined by high resolution banding, is the most proximal breakpoint ever reported in patients with ring chromosome 13. In situ hybridisation...... with the probe L1.26 confirmed the derivation from chromosome 13 and DNA polymorphism analysis showed maternal origin of the ring chromosome. Our results, together with a review of previous reports of cases with ring chromosome 13 with identified breakpoints, could neither support the theory of distinct clinical...

  12. Faithfully quadratic rings

    CERN Document Server

    Dickmann, M


    In this monograph the authors extend the classical algebraic theory of quadratic forms over fields to diagonal quadratic forms with invertible entries over broad classes of commutative, unitary rings where -1 is not a sum of squares and 2 is invertible. They accomplish this by: (1) Extending the classical notion of matrix isometry of forms to a suitable notion of T-isometry, where T is a preorder of the given ring, A, or T = A^2. (2) Introducing in this context three axioms expressing simple properties of (value) representation of elements of the ring by quadratic forms, well-known to hold in

  13. Substituent Chemical Shifts of (E)-1-Aryl-3-thienylpropen-1-ones

    Energy Technology Data Exchange (ETDEWEB)

    Lee, In-Sook Han; Jeon, Hyun Ju; Yu, Ji Sook; Lee, Chang Kiu [Kangwon National University, Chuncheon (Korea, Republic of)


    Substituent chemical shifts were examined for the 2- and 3-thiophene derivatives of chalcone and compared to the thiophene series of derivatives with the phenyl series. The chemical shift values for the α-carbons of the enones showed and inverse correlation with the Hammett σ values, but the correlation coefficients were moderate (r = 0.836 - 0.878). On the other hand, the β-carbons showed a normal correlation with excellent correlation coefficients (r = 0.994). The absolute magnitude of the ρ values for the α-carbon are about half of those of the β-carbon. The observation may be the result of a through-space transition of the electronic effect of the substituents in addition to the through bond transition.

  14. Exploring the effect of remote substituents and solution structure on the luminescence of three lanthanide complexes

    Energy Technology Data Exchange (ETDEWEB)

    Tropiano, Manuel; Blackburn, Octavia A.; Tilney, James A.; Hill, Leila R. [Chemistry Research Laboratory, University of Oxford, 12 Mansfield Road, Oxford OX1 3TA (United Kingdom); Just Sørensen, Thomas, E-mail: [Chemistry Research Laboratory, University of Oxford, 12 Mansfield Road, Oxford OX1 3TA (United Kingdom); Nano-Science Center and Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 København Ø (Denmark); Faulkner, Stephen, E-mail: [Chemistry Research Laboratory, University of Oxford, 12 Mansfield Road, Oxford OX1 3TA (United Kingdom)


    Sensitized luminescence from trivalent lanthanide ions relies on an appropriate energy match between the sensitizer’s excited state (triplet or singlet) and the lanthanide excited state manifold, and also an efficient mechanism of energy transfer between the two. Here, the effect of remote substituents on the luminescence properties of a series of related lanthanide complexes has been investigated. The sensitized lanthanide centered emission is not invariably found to occur following excitation of all chromophores in all systems, and it is shown that only the most structurally congested of the systems investigated exhibited pronounced solvatochromism. - Highlights: • Effect of remote substituents and self-assembly on lanthanide luminescence. • Molecular structure rather than chromophore density defines lanthanide sensitization. • Kimura's and Horrocks' approach to determine lanthanide solvation is revisited. • Solvent alters sensitization pathways in multinuclear lanthanide complexes. • Increasing chromophore density may reduce lanthanide luminescence.

  15. The g-2 ring

    CERN Multimedia


    The precise measurement of "g-2", the anomalous magnetic moment of the muon, required a special muon storage ring with electrostatic focussing and very accurate knowledge of the magnetic bending field. For more details see under photo 7405430.

  16. Saturn's dynamic D ring (United States)

    Hedman, M.M.; Burns, J.A.; Showalter, M.R.; Porco, C.C.; Nicholson, P.D.; Bosh, A.S.; Tiscareno, M.S.; Brown, R.H.; Buratti, B.J.; Baines, K.H.; Clark, R.


    The Cassini spacecraft has provided the first clear images of the D ring since the Voyager missions. These observations show that the structure of the D ring has undergone significant changes over the last 25 years. The brightest of the three ringlets seen in the Voyager images (named D72), has transformed from a narrow, <40-km wide ringlet to a much broader and more diffuse 250-km wide feature. In addition, its center of light has shifted inwards by over 200 km relative to other features in the D ring. Cassini also finds that the locations of other narrow features in the D ring and the structure of the diffuse material in the D ring differ from those measured by Voyager. Furthermore, Cassini has detected additional ringlets and structures in the D ring that were not observed by Voyager. These include a sheet of material just interior to the inner edge of the C ring that is only observable at phase angles below about 60??. New photometric and spectroscopic data from the ISS (Imaging Science Subsystem) and VIMS (Visual and Infrared Mapping Spectrometer) instruments onboard Cassini show the D ring contains a variety of different particle populations with typical particle sizes ranging from 1 to 100 microns. High-resolution images reveal fine-scale structures in the D ring that appear to be variable in time and/or longitude. Particularly interesting is a remarkably regular, periodic structure with a wavelength of ??? 30 ?? km extending between orbital radii of 73,200 and 74,000 km. A similar structure was previously observed in 1995 during the occultation of the star GSC5249-01240, at which time it had a wavelength of ??? 60 ?? km. We interpret this structure as a periodic vertical corrugation in the D ring produced by differential nodal regression of an initially inclined ring. We speculate that this structure may have formed in response to an impact with a comet or meteoroid in early 1984. ?? 2006 Elsevier Inc. All rights reserved.

  17. Child sex rings.


    Wild, N J; Wynne, J M


    Details of 11 child sex rings identified in one working class community were obtained by interviewing investigating police officers and examining health and social services records. The rings contained 14 adult male perpetrators and 175 children aged 6-15 years. Most perpetrators used child ringleaders to recruit victims; others became a "family friend" or obtained a position of authority over children. Secrecy was encouraged and bribery, threats, and peer pressure used to induce participatio...

  18. Storage ring group summary

    International Nuclear Information System (INIS)

    King, N.M.


    The Storage Ring Group set out to identify and pursue salient problems in accelerator physics for heavy ion fusion, divorced from any particular reference design concept. However, it became apparent that some basic parameter framework was required to correlate the different study topics. As the Workshop progressed, ring parameters were modified and updated. Consequently, the accompanying papers on individual topics will be found to refer to slightly varied parameters, according to the stage at which the different problems were tackled

  19. Matrimonial ring structures


    Hamberger, Klaus; Houseman, Michael; Daillant, Isabelle; White, Douglas R.; Barry, Laurent


    The paper deals with matrimonial rings, a particular kind of cycles in kinship networks which result when spouses are linked to each other by ties of consanguinity or affinity. By taking a network-analytic perspective, the paper endeavours to put this classical issue of structural kinship theory on a general basis, such as to allow conclusions which go beyond isolated discussions of particular ring types (like "cross-cousin marriage", "sister exchange", and so forth). The paper provides a def...

  20. Substituent Effects on the Photodeprotection Reactions of Selected Ketoprofen Derivatives in Phosphate Buffered Aqueous Solutions. (United States)

    Liu, Mingyue; Li, Ming-De; Huang, Jinqing; Li, Tianlu; Liu, Han; Li, Xuechen; Phillips, David Lee


    Photodeprotection is an important reaction that has been attracting broad interest for use in a variety of applications. Recent advances in ultrafast and vibrational time-resolved spectroscopies can facilitate obtaining data to help unravel the reaction mechanisms involving in the photochemical reactions of interest. The kinetics and reaction mechanisms for the photodeprotection reactions of ketoprofen derivatives containing three different substituents (ibuprofen, Br and I) were investigated by femtosecond transient absorption (fs-TA) and nanosecond time-resolved resonance Raman (ns-TR(3)) spectroscopy methods in phosphate buffered solutions (PBS). Fs-TA allows us to detect the decay kinetics of the triplet species as the key precursor for formation of a carbanion species for three different substituents attached to ketoprofen. To characterize the structural and electronic properties of the corresponding carbanion and triplet intermediates, TR(3) spectroscopic experiments were conducted. The transient spectroscopy work reveals that the different substituents affect the photodecarboxylation reaction to produce carbon dioxide which in turn influences the generation of the carbanion species which determines the rate of the photorelease of the functional groups attached on the ketoprofen parent molecule. The fingerprint TR(3) spectroscopy results suggest that ketoprofen derivatives may be deactivated to produce a triplet carbanion when increasing the atom mass of the halogen atoms.

  1. Fluoroquinolone Action against Mycobacteria: Effects of C-8 Substituents on Growth, Survival, and Resistance (United States)

    Dong, Yuzhi; Xu, Chen; Zhao, Xilin; Domagala, John; Drlica, Karl


    Fluoroquinolones trap gyrase on DNA as bacteriostatic complexes from which lethal DNA breaks are released. Substituents at the C-8 position increase activities of N-1-cyclopropyl fluoroquinolones against several bacterial species. In the present study, a C-8-methoxyl group improved bacteriostatic action against gyrA (gyrase-resistant) strains of Mycobacterium tuberculosis and M. bovis BCG. It also enhanced lethal action against gyrase mutants of M. bovis BCG. When cultures of M. smegmatis, M. bovis BCG, and M. tuberculosis were challenged with a C-8-methoxyl fluoroquinolone, no resistant mutant was recovered under conditions in which more than 1,000 mutants were obtained with a C-8-H control. A C-8-bromo substituent also increased bacteriostatic and lethal activities against a gyrA mutant of M. bovis BCG. When lethal activity was normalized to bacteriostatic activity, the C-8-methoxyl compound was more bactericidal than its C-8-H control, while the C-8-bromo fluoroquinolone was not. The C-8-methoxyl compound was also found to be more effective than the C-8-bromo fluoroquinolone at reducing selection of resistant mutants when each was compared to a C-8-H control over a broad concentration range. These data indicate that a C-8-methoxyl substituent, which facilitates attack of first-step gyrase mutants, may help make fluoroquinolones effective antituberculosis agents. PMID:9797236

  2. Substituent effects on the photophysical properties of pterin derivatives in acidic and alkaline aqueous solutions. (United States)

    Cabrerizo, Franco M; Petroselli, Gabriela; Lorente, Carolina; Capparelli, Alberto L; Thomas, Andrés H; Braun, André M; Oliveros, Esther


    Pterins are heterocyclic compounds with important biological functions, and most of them may exist in two acid-base forms in the pH range between 3 and 13 in aqueous solution. In this work, the photophysical properties of acid and basic forms of six compounds of the pterin family (6-hydroxymethylpterin [HPT], 6-methylpterin [MPT], 6,7-dimethylpterin [DPT], rhamnopterin [RPT], N-methylfolic acid [MFA], and pteroic acid [PA]) have been studied. The effects of the chemical nature of the substituents at position 6 of the pterin moiety and the effects of the pH on the absorption and emission properties are analyzed. The fluorescence characteristics (spectra, quantum yields, lifetimes) of these compounds have been investigated using the single-photon-counting technique. Results obtained for pterin derivatives containing small substituents with 1 carbon atom (HPT, MPT, DPT) and short hydrocarbon chain (4 carbon atoms) (RPT) are different from those found for pterin derivatives containing a p-aminobenzoic acid (PABA) moiety in the substituent (MFA and PA). Fluorescence quantum yields (Phi(F)) of the first group of compounds are relatively high (>/=0.4), whereas MFA and PA exhibit very small Phi(F) values (

  3. The effect of polar substituents in aniline and pyridine derivatives on the inhibition of steel corrosion in acids

    International Nuclear Information System (INIS)

    Donya, A.P.; Pakter, M.K.; Shalimova, M.A.; Lambin, V.N.


    One investigated into inhibition of St3 steel corrosion in hydrochloric acid by aniline and pyridine vinyl derivatives and by substituted pyridines. One demonstrated the effect of vinyl group and polar properties of substituents. One determined correlation of γ corrosion rate and pK a amine basicity, γ and e monomer polarity within the Alfrey-Prise diagram for vinyl-containing amines, γ and σ-bar 0 -constants of substituents for substituted pyridines; one presents the relevant equations [ru

  4. Supramolecular synthons on surfaces: Controlling dimensionality and periodicity of tetraarylporphyrin assemblies by the interplay of cyano and alkoxy substituents


    Wintjes, Nikolai; Hornung, Jens; Lobo-Checa, Jorge; Voigt, Tobias; Samuely, Tomáš; Thilgen, Carlo; Stöhr, Meike; Diederich, François; Jung, Thomas A.


    The self-assembly of three porphyrin derivatives was studied in detail on a Cu(111) substrate by means of scanning tunneling microscopy (STM). All derivatives have two 4-cyanophenyl substituents in diagonally opposed meso-positions of the porphyrin core. but differ in the nature of the other two meso-alkoxyphenyl substituents. At coverages below 0.8 monolayers, two derivatives form molecular chains, which evolve into nanoporous networks at higher coverages. The third derivative self-assembles...

  5. A general synthetic strategy for the design of new BODIPY fluorophores based on pyrroles with polycondensed aromatic and metallocene substituents. (United States)

    Schmidt, Elena Yu; Zorina, Nadezhda V; Dvorko, Marina Yu; Protsuk, Nadezhda I; Belyaeva, Kseniya V; Clavier, Gilles; Méallet-Renault, Rachel; Vu, Thanh T; Mikhaleva, Al'bina I; Trofimov, Boris A


    BODIPYrrole: A general strategy for the design of novel BODIPY fluorophores based on pyrroles with polycondensed aromatic and metallocene substituents has been developed. The strategy involves the acylation of the condensed substituent and treatment of the acylated derivative (as oxime) with acetylene in MOH/DMSO (M = alkali metal) to give pyrroles that were then used for assembly of the BODIPY fluorophores (see scheme). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. BERKELEY: ALS ring

    International Nuclear Information System (INIS)



    Everybody at Lawrence Berkeley Laboratory's Center for Beam Physics is pleased with the rapid progress in commissioning LBL's Advanced Light Source (ALS) electron storage ring, the foundation for this third-generation synchrotron radiation facility. Designed for a maximum current of 400 mA, the ALS storage ring reached 407 mA just 24 days after storing the first beam on 16 March. ALS construction as a US Department of Energy (DOE) national user facility to provide high-brightness vacuum ultra-violet and soft x-ray radiation began in October 1987. One technical requirement marking project completion was to accumulate a 50-mA current in the storage ring. The ALS passed this milestone on 24 March, a week ahead of the official deadline. Once injected, the electron beam decays quasi-exponentially primarily because of interactions with residual gas molecules in the storage-ring vacuum chamber. Eventually, when the pressure in the vacuum chamber with beam decreases toward the expected operating level of 1 nano Torr, it will only be necessary to refill the storage ring at intervals of four to eight hours. At present the vacuum is improving rapidly as surfaces are irradiated (scrubbed) by the synchrotron radiation itself. At 100 mA, beam lifetime was about one hour (9 April)

  7. Stable Hemiaminals with a Cyano Group and a Triazole Ring

    Directory of Open Access Journals (Sweden)

    Anna Kwiecień


    Full Text Available Under neutral conditions the reactions between 4-amino-1,2,4-triazole and cyano-substituted benzaldehyde derivatives yield stable hemiaminals. Addition of small amounts of acid catalyst promotes further step of dehydration resulting in formation of Schiff bases. Four new hemiaminals and the corresponding imines have been obtained. The molecular stability of the hemiaminal intermediates results from both the 1,2,4-triazole moiety and electron withdrawing substituents on the phenyl ring, so no further stabilisation by intramolecular interaction is required. Hemiaminal molecules possess stereogenic centres on carbon and nitrogen atoms. The chirality of these centres is strongly correlated with the conformation of the molecules due to heteroatom hyperconjugation effects.

  8. Almost ring theory

    CERN Document Server


    This book develops thorough and complete foundations for the method of almost etale extensions, which is at the basis of Faltings' approach to p-adic Hodge theory. The central notion is that of an "almost ring". Almost rings are the commutative unitary monoids in a tensor category obtained as a quotient V-Mod/S of the category V-Mod of modules over a fixed ring V; the subcategory S consists of all modules annihilated by a fixed ideal m of V, satisfying certain natural conditions. The reader is assumed to be familiar with general categorical notions, some basic commutative algebra and some advanced homological algebra (derived categories, simplicial methods). Apart from these general prerequisites, the text is as self-contained as possible. One novel feature of the book - compared with Faltings' earlier treatment - is the systematic exploitation of the cotangent complex, especially for the study of deformations of almost algebras.

  9. Decay ring design

    CERN Document Server

    Chancé, A; Bouquerel, E; Hancock, S; Jensen, E

    The study of the neutrino oscillation between its different flavours needs pureand very intense fluxes of high energy, well collimated neutrinos with a welldetermined energy spectrum. A dedicated machine seems to be necessarynowadays to reach the required flux. A new concept based on the β-decayof radioactive ions which were accelerated in an accelerator chain was thenproposed. After ion production, stripping, bunching and acceleration, the unstableions are then stored in a racetrack-shaped superconducting decay ring.Finally, the ions are accumulated in the decay ring until being lost. The incomingbeam is merged to the stored beam by using a specific RF system, whichwill be presented here.We propose here to study some aspects of the decay ring, such as its opticalproperties, its RF system or the management of the losses which occur in thering (mainly by decay or by collimation).

  10. Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations. (United States)

    Campanelli, Anna Rita; Domenicano, Aldo; Ramondo, Fabio; Hargittai, István


    The molecular structures of cyanobenzene, p-dicyanobenzene, and 1,2,4,5-tetracyanobenzene have been accurately determined by gas-phase electron diffraction and ab initio/DFT MO calculations. The equilibrium structures of these molecules are planar, but their average geometries in the gaseous phase are nonplanar because of large-amplitude vibrational motions of the substituents out of the plane of the benzene ring. The use of nonplanar models in electron diffraction analysis is necessary to yield ring angles consistent with the results of MO calculations. The angular deformation of the benzene ring in the three molecules is found to be much smaller than obtained from previous electron diffraction studies, as well as from microwave spectroscopy studies of cyanobenzene. While the deformation of the ring CC bonds and CCC angles in p-dicyanobenzene is well interpreted as arising from the superposition of independent effects from each substituent, considerable deviation from additivity occurs in 1,2,4,5-tetracyanobenzene. The changes in the ring geometry and C ipso-C cyano bond lengths in this molecule indicate an enhanced ability of the cyano group to withdraw pi-electrons from the benzene ring, compared with cyanobenzene and p-dicyanobenzene. In particular, gas-phase electron diffraction and MP2 or B3LYP calculations show a small but consistent increase in the mean length of the ring CC bonds for each cyano group and a further increase in 1,2,4,5-tetracyanobenzene. Comparison with accurate results from X-ray and neutron crystallography indicates that in p-dicyanobenzene the internal ring angle at the place of substitution opens slightly as the molecule is frozen in the crystal. The small geometrical change, about 0.6 degrees , is shown to be real and to originate from intermolecular C identical withN...HC interactions in the solid state.

  11. Solid-state ring laser gyroscope (United States)

    Schwartz, S.

    The ring laser gyroscope is a rotation sensor used in most kinds of inertial navigation units. It usually consists in a ring cavity filled with a mixture of helium and neon, together with high-voltage pumping electrodes. The use of a gaseous gain medium, while resulting naturally in a stable bidirectional regime enabling rotation sensing, is however the main industrially limiting factor for the ring laser gyroscopes in terms of cost, reliability and lifetime. We study in this book the possibility of substituting for the gaseous gain medium a solid-state medium (diode-pumped Nd-YAG). For this, a theoretical and experimental overview of the lasing regimes of the solid-state ring laser is reported. We show that the bidirectional emission can be obtained thanks to a feedback loop acting on the states of polarization and inducing differential losses proportional to the difference of intensity between the counterpropagating modes. This leads to the achievement of a solid-state ring laser gyroscope, whose frequency response is modified by mode coupling effects. Several configurations, either mechanically or optically based, are then successively studied, with a view to improving the quality of this frequency response. In particular, vibration of the gain crystal along the longitudinal axis appears to be a very promising technique for reaching high inertial performances with a solid-state ring laser gyroscope. Gyrolaser à état solide. Le gyrolaser est un capteur de rotation utilisé dans la plupart des centrales de navigation inertielle. Dans sa forme usuelle, il est constitué d'une cavité laser en anneau remplie d'un mélange d'hélium et de néon pompé par des électrodes à haute tension. L'utilisation d'un milieu amplificateur gazeux, si elle permet de garantir naturellement le fonctionnement bidirectionnel stable nécessaire à la mesure des rotations, constitue en revanche la principale limitation industrielle des gyrolasers actuels en termes de coût, fiabilit

  12. Substituent Effects on the Stability of Thallium and Phosphorus Triple Bonds: A Density Functional Study. (United States)

    Lu, Jia-Syun; Yang, Ming-Chung; Su, Ming-Der


    Three computational methods (M06-2X/Def2-TZVP, B3PW91/Def2-TZVP and B3LYP/LANL2DZ+dp) were used to study the effect of substitution on the potential energy surfaces of RTl≡PR (R = F, OH, H, CH₃, SiH₃, SiMe(Si t Bu₃)₂, Si i PrDis₂, Tbt (=C₆H₂-2,4,6-(CH(SiMe₃)₂)₃), and Ar* (=C₆H₃-2,6-(C₆H₂-2, 4,6- i -Pr₃)₂)). The theoretical results show that these triply bonded RTl≡PR compounds have a preference for a bent geometry (i.e., ∠R⎼Tl⎼P ≈ 180° and ∠Tl⎼P⎼R ≈ 120°). Two valence bond models are used to interpret the bonding character of the Tl≡P triple bond. One is model [I], which is best described as TlP. This interprets the bonding conditions for RTl≡PR molecules that feature small ligands. The other is model [II], which is best represented as TlP. This explains the bonding character of RTl≡PR molecules that feature large substituents. Irrespective of the types of substituents used for the RTl≡PR species, the theoretical investigations (based on the natural bond orbital, the natural resonance theory, and the charge decomposition analysis) demonstrate that their Tl≡P triple bonds are very weak. However, the theoretical results predict that only bulkier substituents greatly stabilize the triply bonded RTl≡PR species, from the kinetic viewpoint.

  13. Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table. (United States)

    Mulder, Joshua R; Guerra, Célia Fonseca; Slootweg, J Chris; Lammertsma, Koop; Bickelhaupt, F Matthias


    A comprehensive theoretical treatment is presented for the electronic excitation spectra of ca. 50 different mono-, di-, and tetrasubstituted naphthalenediimides (NDI) using time-dependent density functional theory (TDDFT) at ZORA-CAM-B3LYP/TZ2P//ZORA-BP86/TZ2P with COSMO for simulating the effect of dichloromethane (DCM) solution. The substituents -XHn are from groups 14-17 and rows 2-5 of the periodic table. The lowest dipole-allowed singlet excitation (S0 -S1 ) of the monosubstituted NDIs can be tuned from 3.39 eV for -F to 2.42 eV for -TeH, while the S0 -S2 transition is less sensitive to substitution with energies ranging between 3.67 eV for -CH3 and 3.44 eV for -SbH2 . In the case of NDIs with group-15 and -16 substituents, the optical transitions strongly depend on the extent to which -XHn is planar or pyramidal as well as on the possible formation of intramolecular hydrogen bonds. The accumulative effect of double and quadruple substitution leads in general to increasing bathochromic shifts, but the increased steric hindrance in tetrasubstituted NDIs can lead to deformations that diminish the effectiveness of the substituents. Detailed analyses of the Kohn-Sham orbital electronic structure in monosubstituted NDIs reveal the mesomeric destabilization of the HOMO as the primary cause of the bathochromic shift of the S0-S1 transition. © 2015 Wiley Periodicals, Inc.

  14. Antibacterial Activity of New Dibenzoxepinone Oximes with Fluorine and Trifluoromethyl Group Substituents

    Directory of Open Access Journals (Sweden)

    Mariana Carmen Chifiriuc


    Full Text Available In this paper we present the antimicrobial activity of some newly synthesized dibenz[b,e]oxepin derivatives bearing the oximino moiety, and fluorine (F and trifluoromethyl (CF3 group substituents. The chemical structure and purity of the new compounds were assessed by using elemental analysis, NMR and FTIR spectroscopy. The new compounds were screened for their antibacterial activity towards Gram-positive and Gram-negative strains, by qualitative and quantitative assays. Our results demonstrated that the CF3 and F disubstituted compounds could be considered for the further development of novel antimicrobial drugs.

  15. Functional dependency of structures of ionic liquids: do substituents govern the selectivity of enzymatic glycerolysis?

    DEFF Research Database (Denmark)

    Guo, Zheng; Chen, Biqiang; Murillo, Rafael López


    The concept of regulating the preference of a reversible multi-step reaction by adjusting the substituents of ionic liquids (ILs) has been successfully exemplified with a group of tetraammonium-based ionic liquids as medium for the enzymatic glycerolysis. Simultaneous existence of long chain...... preference to monoglyceride formation. Interestingly the predicted results from COSMO-RS (a quantum chemical model programme) achieved a good agreement with the experimental data, mapping out the specific solvation from the ILs as well as demonstrating the interaction between ILs, substrates and products...

  16. Theoretical investigation of substituent effects on the dihydroazulene/vinylheptafulvene photoswitch

    DEFF Research Database (Denmark)

    Hansen, Mia Harring; Elm, Jonas; Olsen, Stine Tetzschner


    We have investigated the effects of substituents on the properties of the dihydroazulene/vinylheptafulvene photoswitch. The focus is on the changes of the thermochemical properties by placing electron withdrawing and donating groups on the monocyano and dicyano structures of the parent...... on the substitution pattern, and based on these results, we have outlined molecular design considerations for obtaining new desired target structures exhibiting long energy storage times. Selected candidate systems have also been investigated in terms of optical properties to elucidate how sensitive the absorption...

  17. Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties. (United States)

    Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F; Pérez-Inestrosa, E; Montenegro, J M; Sillanpää, R; Haukka, M; Núñez, R


    Two novel styrene-containing meta-carborane derivatives substituted at the second carbon cluster atom (C c ) with either a methyl (Me) or a phenyl (Ph) group are introduced herein along with a new set of stilbene-containing ortho- (o-) and meta- (m-) carborane dyads. The latter set of compounds have been prepared from styrene-containing carborane derivatives via a Heck coupling reaction. High regioselectivity has been achieved for these compounds by using a combination of palladium complexes [Pd 2 (dba) 3 ]/[Pd(t-Bu 3 P) 2 ] as a catalytic system, yielding exclusively E isomers. All compounds have been fully characterised and the crystal structures of seven of them were analysed by X-ray diffraction. The absorption spectra of these compounds are similar to those of their respective fluorophore groups (styrene or stilbene), showing a very small influence of the substituent (Me or Ph) linked to the second C c atom or the cluster isomer (o- or m-). On the other hand, fluorescence spectroscopy revealed high emission intensities for Me-o-carborane derivatives, whereas their Ph-o-carborane analogues evidenced an almost total lack of fluorescence, confirming the significant role of the substituent bound to the adjacent C c in o-carboranes. In contrast, all the m-carborane derivatives display similar photoluminescence (PL) behavior regardless of the substituent attached to the second C c , demonstrating its small influence on emission properties. Additionally, m-carborane derivatives are significantly more fluorescent than their o-counterparts, reaching quantum yield values as high as 30.2%. Regarding solid state emission, only stilbene-containing Ph-o-carborane derivatives, which showed very low fluorescence in solution, exhibited notable PL emission in films attributed to aggregation-induced emission. DFT calculations were performed to successfully complement the photoluminescence studies, supporting the experimentally observed photophysical behavior of the styrene and

  18. Palladium-catalyzed ring-opening reactions of cyclopropanated 7-oxabenzonorbornadiene with alcohols

    Directory of Open Access Journals (Sweden)

    Katrina Tait


    Full Text Available Palladium-catalyzed ring-opening reactions of cyclopropanated 7-oxabenzonorbornadiene derivatives using alcohol nucleophiles were investigated. The optimal conditions were found to be 10 mol % PdCl2(CH3CN2 in methanol, offering yields up to 92%. The reaction was successful using primary, secondary and tertiary alcohol nucleophiles and was compatible with a variety of substituents on cyclopropanated oxabenzonorbornadiene. With unsymmetrical C1-substituted cyclopropanated 7-oxabenzonorbornadienes, the regioselectivity of the reaction was excellent, forming only one regioisomer in all cases.

  19. Fusion rings and fusion ideals

    DEFF Research Database (Denmark)

    Andersen, Troels Bak

    This dissertation investigates fusion rings, which are Grothendieck groups of rigid, monoidal, semisimple, abelian categories. Special interest is in rational fusion rings, i.e., fusion rings which admit a finite basis, for as commutative rings they may be presented as quotients of polynomial rings...... by the so-called fusion ideals. The fusion rings of Wess-Zumino-Witten models have been widely studied and are well understood in terms of precise combinatorial descriptions and explicit generating sets of the fusion ideals. They also appear in another, more general, setting via tilting modules for quantum...

  20. Fusion Rings for Quantum Groups

    DEFF Research Database (Denmark)

    Andersen, Henning Haahr; Stroppel, Catharina


    We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from [12] and give a similar description of the sp2n-fusion ring in terms of noncommutative symmetric...... functions. Moreover we give a presentation of all fusion rings in classical types as quotients of polynomial rings. Finally we also compute the fu- sion rings for type G2....

  1. Lattices for antiproton rings

    International Nuclear Information System (INIS)

    Autin, B.


    After a description of the constraints imposed by the cooling of Antiprotons on the lattice of the rings, the reasons which motivate the shape and the structure of these machines are surveyed. Linear and non-linear beam optics properties are treated with a special amplification to the Antiproton Accumulator. (orig.)

  2. Flushing Ring for EDM (United States)

    Earwood, L.


    Removing debris more quickly lowers cutting time. Operation, cutting oil and pressurized air supplied to ring placed around workpiece. Air forces oil through small holes and agitates oil as it flows over workpiece. High flow rate and agitation dislodge and remove debris. Electrical discharge removes material from workpiece faster.

  3. SXLS storage ring design

    International Nuclear Information System (INIS)



    X-ray lithography has emerged as a strong candidate to meet the demands of ever finer linewidths on integrated circuits, particularly for linewidths less than .25 microns. Proximity printing X-ray lithography makes use of soft X-rays to shadow print an image of a mask onto a semiconductor wafer to produce integrated circuits. To generate the required X-rays in sufficient quantities to make commercial production viable, electron storage rings have been proposed as the soft X-ray sources. Existing storage rings have been used to do the initial development work and the success of these efforts has led the lithographers to request that new rings be constructed that are dedicated to X-ray lithography. As a result of a series of workshops held at BNL [10.3] which were attended by both semiconductor and accelerator scientists, the following set of zeroth order specifications' on the light and electron beam of a storage ring for X-ray lithography were developed: critical wavelength of light: λ c = 6 to 10 angstroms, white light power: P = 0.25 to 2.5 watts/mrad, horizontal collection angle per port: θ = 10 to 50 mrad, electron beam sizes: σ x ∼ σ y y ' < 1 mrad

  4. Ring Bubbles of Dolphins (United States)

    Shariff, Karim; Marten, Ken; Psarakos, Suchi; White, Don J.; Merriam, Marshal (Technical Monitor)


    The article discusses how dolphins create and play with three types of air-filled vortices. The underlying physics is discussed. Photographs and sketches illustrating the dolphin's actions and physics are presented. The dolphins engage in this behavior on their own initiative without food reward. These behaviors are done repeatedly and with singleminded effort. The first type is the ejection of bubbles which, after some practice on the part of the dolphin, turn into toroidal vortex ring bubbles by the mechanism of baroclinic torque. These bubbles grow in radius and become thinner as they rise vertically to the surface. One dolphin would blow two in succession and guide them to fuse into one. Physicists call this a vortex reconnection. In the second type, the dolphins first create an invisible vortex ring in the water by swimming on their side and waving their tail fin (also called flukes) vigorously. This vortex ring travels horizontally in the water. The dolphin then turns around, finds the vortex and injects a stream of air into it from its blowhole. The air "fills-out" the core of the vortex ring. Often, the dolphin would knock-off a smaller ring bubble from the larger ring (this also involves vortex reconnection) and steer the smaller ring around the tank. One other dolphin employed a few other techniques for planting air into the fluke vortex. One technique included standing vertically in the water with tail-up, head-down and tail piercing the free surface. As the fluke is waved to create the vortex ring, air is entrained from above the surface. Another technique was gulping air in the mouth, diving down, releasing air bubbles from the mouth and curling them into a ring when they rose to the level of the fluke. In the third type, demonstrated by only one dolphin, the longitudinal vortex created by the dorsal fin on the back is used to produce 10-15 foot long helical bubbles. In one technique she swims in a curved path. This creates a dorsal fin vortex since

  5. Is there substituent cross-interaction effect in all the conjugated systems containing Cdbnd N polar bond? The substituent effects on the NMR chemical shifts of 2,5-disubstituted pyrimidines (United States)

    Yuan, Hua; Zhang, Yan; Chen, Chun-Ni; Li, Meng-Yang


    The substituent cross-interaction effect in the substituted benzylidene anilines (p-Xsbnd C6H4sbnd CHdbnd Nsbnd C6H4sbnd Y-p) has been observed and widely investigated. In order to investigate whether the substituent cross-interaction effect exist in all the conjugated systems containing Cdbnd N polar bond, this paper employed 2-X-5-Y pyrimidines as the model compounds for study. The influences of substituents X and Y on the 1H NMR and 13C NMR chemical shifts of 2, 5-disubsitituted pyrimidines have been systematically investigated. Quantitative structure-chemical shifts relationship models have been built for δ(H4,6), δ(C2), δ(C4,6) and δ(C5) with four to six molecular descriptors. These models were confirmed of good stability and predictive performances by leave-one-out cross validation. This study indicates that the substituent effects of 2,5-disubstituted pyrimidines are much more complex than that of the substituted benzylidene anilines. More structural factors besides of Hammett parameter should be taken into consideration. Different from the substituted benzylidene anilines, the cross-interaction effect (Δσ2) of substituents X and Y has little contribution to δ(H4,6), δ(C2), δ(C5) and δ(C4,6) of 2,5-disubstituted pyrimidines.


    Directory of Open Access Journals (Sweden)

    Karyati Karyati


      One of algebraic structure that involves a binary operation is a group that is defined  an un empty set (classical with an associative binary operation, it has identity elements and each element has an inverse. In the structure of the group known as the term subgroup, normal subgroup, subgroup and factor group homomorphism and its properties. Classical algebraic structure is developed to algebraic structure fuzzy by the researchers as an example semi group fuzzy and fuzzy group after fuzzy sets is introduced by L. A. Zadeh at 1965. It is inspired of writing about semi group fuzzy and group of fuzzy, a research on the algebraic structure of the ring is held with reviewing ring fuzzy, ideal ring fuzzy, homomorphism ring fuzzy and quotient ring fuzzy with its properties. The results of this study are obtained fuzzy properties of the ring, ring ideal properties fuzzy, properties of fuzzy ring homomorphism and properties of fuzzy quotient ring by utilizing a subset of a subset level  and strong level  as well as image and pre-image homomorphism fuzzy ring.   Keywords: fuzzy ring, subset level, homomorphism fuzzy ring, fuzzy quotient ring

  7. Substituent influence on the spectra of some benzo[f]quinoline derivatives (United States)

    Oanca, Gabriel; Stare, Jernej; Todirascu, Antonina Gritco; Creanga, Dorina; Dorohoi, Dana Ortansa


    The aim of this study was to investigate the relations between the properties of some organic compounds that are cycloaddition derivatives of benzo[f]quinoline, namely benzo[f]pyrrolo[1,2-a]quinolines (BQCDs) and the structure of variable substituent in the addition cycle. The work was focused on the differences in the molecular parameters like frontier orbitals and dipole moment as well as electronic absorption spectra of substituted BQCDs. The optimized molecular structures of BQCDs were calculated using Gaussian 09, with DFT method, the frontier orbitals and electronic absorption spectra being modeled with restricted Hartree Fock method also implemented in Gaussian 09. Influence of substituted radical on the dipole moments and frontier orbital energies of the BQCDs was evidenced from calculated values. Substituent effect on the BQCDs recorded electronic absorption spectra in diluted solution and protonated diluted solution was also emphasized: different types of the transitions underlying absorption bands in the visible range were presumed based on the quantum chemical and experimental investigation.

  8. Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent. (United States)

    Hamlin, Trevor A; Swart, Marcel; Bickelhaupt, F Matthias


    The reaction potential energy surface (PES) and, thus, the mechanism of bimolecular nucleophilic substitution (SN2) depend profoundly on the nature of the nucleophile and leaving group, but also on the central, electrophilic atom, its substituents, as well as on the medium in which the reaction takes place. Here, we provide an overview of recent studies and demonstrate how changes in any one of the aforementioned factors affect the SN2 mechanism. One of the most striking effects is the transition from a double-well to a single-well PES when the central atom is changed from a second-period (e.g., carbon) to a higher-period element (e.g., silicon, germanium). Variations in nucleophilicity, leaving group ability and bulky substituents around a second-row element central atom can then be exploited to change the single-well PES back into a double-well. Reversely, these variations can also be used to produce a single-well PES for second-period elements, e.g., a stable pentavalent carbon species. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Inorganic glass ceramic slip rings (United States)

    Glossbrenner, E. W.; Cole, S. R.


    Prototypes of slip rings have been fabricated from ceramic glass, a material which is highly resistant to deterioration due to high temperature. Slip ring assemblies were not structurally damaged by mechanical tests and performed statisfactorily for 200 hours.

  10. Structure of the complex of [Ru(tpm)(dppz)py](2+) with a B-DNA oligonucleotide - a single-substituent binding switch for a metallo-intercalator. (United States)

    Waywell, Philip; Gonzalez, Veronica; Gill, Martin R; Adams, Harry; Meijer, Anthony J H M; Williamson, Mike P; Thomas, James A


    We report the synthesis of three new complexes related to the achiral [Ru(tpm)(dppz)py](2+) cation (tpm=tripyridazole methane, dppz=dipyrido[3,2-a:2',3'-c]phenazine, py=pyridine) that contain an additional single functional group on the monodentate ancillary pyridyl ligand. Computational calculations indicate that the coordinated pyridyl rings are in a fixed orientation parallel to the dppz axis, and that the electrostatic properties of the complexes are very similar. DNA binding studies on the new complexes reveal that the nature and positioning of the functional group has a profound effect on the binding mode and affinity of these complexes. To explore the molecular and structural basis of these effects, circular dichroism and NMR studies on [Ru(tpm)(dppz)py]Cl(2) with the octanucleotides d(AGAGCTCT)(2) and d(CGAGCTCG)(2), were carried out. These studies demonstrate that the dppz ligand intercalates into the G(2)-A(3) step, with {Ru(tpm)py} in the minor groove. They also reveal that the complex intercalates into the binding site in two possible orientations with the pyridyl ligand of the major conformer making close contact with terminal base pairs. We conclude that substitution at the 2- or 3-position of the pyridine ring has little effect on binding, but that substitution at the 4-position drastically disrupts intercalative binding, particularly with a 4-amino substituent, because of steric and electronic interactions with the DNA. These results indicate that complexes derived from these systems have the potential to function as sequence-specific light-switch systems.

  11. e-læring

    DEFF Research Database (Denmark)

    Helms, Niels Henrik

    e-læring kan defineres på ganske mange måder. Ordet e-læring består jo tydeligt nok af to elementer. E + læring ligesom e-handel eller e-banking, og umiddelbart vil de fleste nok sige, at det så handler om læring vha. internettet. I bidraget advokeres for en læringsmæssig frem for normativ tilgang....

  12. Design of low energy ring(s)

    CERN Document Server

    Lachaize, Antoine

    During the last two years, several upgrades of the initial baseline scenario were studied with the aim of increasing the average intensity of ion beams in the accelerator chain of the Beta Beam complex. This is the reason why the Rapid Cycling Synchrotron (RCS) specifications were reconsidered many times [1], [2], [3].General considerations on the optical design were presented at the Beta Beam Task Meetings held at CERN and at Saclay in 2005 [4]. More detailed beam optics studies were performed during the next months. Lattices, RF system parameters, multi-turn injection scheme, fast extraction, closed orbit correction and chromaticity correction systems were proposed for different versions of the RCS [5], [6], [7].Finally, the RCS specifications have stabilized in November 2006 after the fourth Beta Beam Task Meeting when it was decided to fix the maximum magnetic rigidity of ion beams to 14.47 T.m (3.5 GeV equivalent proton energy) and to adopt a ring physical radius of 40 m in order to facilitate injectio...

  13. Clean elements in abelian rings

    Indian Academy of Sciences (India)

    equivalent to being clean for an abelian ring is 'topologically boolean'. In line with [1] we say that a ring R (not necessarily commutative) is right (resp. left) topologically boolean, or a right (resp. left) tb-ring for short, if for every pair of distinct maximal right (resp. left) ideals of R there is an idempotent in exactly one of them.

  14. Ring Confidential Transactions

    Directory of Open Access Journals (Sweden)

    Shen Noether


    Full Text Available This article introduces a method of hiding transaction amounts in the strongly decentralized anonymous cryptocurrency Monero. Similar to Bitcoin, Monero is a cryptocurrency which is distributed through a proof-of-work “mining” process having no central party or trusted setup. The original Monero protocol was based on CryptoNote, which uses ring signatures and one-time keys to hide the destination and origin of transactions. Recently the technique of using a commitment scheme to hide the amount of a transaction has been discussed and implemented by Bitcoin Core developer Gregory Maxwell. In this article, a new type of ring signature, A Multilayered Linkable Spontaneous Anonymous Group signature is described which allows one to include a Pedersen Commitment in a ring signature. This construction results in a digital currency with hidden amounts, origins and destinations of transactions with reasonable efficiency and verifiable, trustless coin generation. The author would like to note that early drafts of this were publicized in the Monero Community and on the #bitcoin-wizards IRC channel. Blockchain hashed drafts are available showing that this work was started in Summer 2015, and completed in early October 2015. An eprint is also available at

  15. Effect of substituents on electronic properties, thin film structure and device performance of dithienothiophene-phenylene cooligomers

    International Nuclear Information System (INIS)

    Zhang Shiming; Guo Yunlong; Xi Hongxia; Di Chongan; Yu Jian; Zheng Kai; Liu Ruigang; Zhan Xiaowei; Liu Yunqi


    Dithienothiophene-phenylene cooligomers with n-hexyloxy or n-dodecyloxy substituents have been synthesized and compared to the previously reported unsubstituted parent compound. The effect of substituents on the thermal, electronic, optical, thin film structure and field-effect transistor (OFET) properties was investigated. Structural phase transitions from highly-ordered nanocrystalline to liquid crystalline were observed at 241 and 213 deg. C for n-hexyloxy- and n-dodecyloxy-substituted compounds respectively, different from the parent compound. For the alkoxy-substituted compounds, the absorption spectra in thin film blue shift 50 nm, while the fluorescence spectra in thin film red shift 88-100 nm compared to those in solution. The OFET devices based on the alkoxy-substituted compounds exhibit mobilities as high as ca 0.02 cm 2 V -1 s -1 and their performance is sensitive to the alkoxy substituents and substrate temperatures

  16. Nanostructures and Self-Assembly of Organogels via Benzimidazole/Benzothiazole Imide Derivatives with Different Alkyl Substituent Chains

    Directory of Open Access Journals (Sweden)

    Xihai Shen


    Full Text Available New benzimidazole/benzothiazole imide derivatives with different alkyl substituent chains were designed and synthesized. Their gelation behaviors in 22 solvents were tested as novel low-molecular-mass organic gelators. The test showed that the alkyl substituent chains and headgroups of benzimidazole/benzothiazole residues in gelators played a crucial role in the gelation behavior of all compounds in various organic solvents. More alkyl chains in molecular skeletons in present gelators are favorable for the gelation of organic solvents. SEM and AFM observations revealed that the gelator molecules self-assemble into different aggregates from wrinkle, lamella and belt to dot with change of solvents. Spectral studies indicated that there existed different H-bond formation between imide groups and hydrophobic force of alkyl substituent chains in molecular skeletons. The present work may give some insights into design and character of new organogelators and soft materials with special molecular structures.

  17. Effect of substituents on electronic properties, thin film structure and device performance of dithienothiophene-phenylene cooligomers

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Shiming; Guo Yunlong; Xi Hongxia; Di Chongan [Beijing National Laboratory for Molecular Sciences and Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate School of Chinese Academy of Sciences, Beijing 100039 (China); Yu Jian; Zheng Kai; Liu Ruigang [Beijing National Laboratory for Molecular Sciences and Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Zhan Xiaowei [Beijing National Laboratory for Molecular Sciences and Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)], E-mail:; Liu Yunqi [Beijing National Laboratory for Molecular Sciences and Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)], E-mail:


    Dithienothiophene-phenylene cooligomers with n-hexyloxy or n-dodecyloxy substituents have been synthesized and compared to the previously reported unsubstituted parent compound. The effect of substituents on the thermal, electronic, optical, thin film structure and field-effect transistor (OFET) properties was investigated. Structural phase transitions from highly-ordered nanocrystalline to liquid crystalline were observed at 241 and 213 deg. C for n-hexyloxy- and n-dodecyloxy-substituted compounds respectively, different from the parent compound. For the alkoxy-substituted compounds, the absorption spectra in thin film blue shift 50 nm, while the fluorescence spectra in thin film red shift 88-100 nm compared to those in solution. The OFET devices based on the alkoxy-substituted compounds exhibit mobilities as high as ca 0.02 cm{sup 2}V{sup -1}s{sup -1} and their performance is sensitive to the alkoxy substituents and substrate temperatures.

  18. First examples of a modulated bridging mu(2)-1:2kappan-triazine in double helical silver compounds. experimental and theoretical evidence. (United States)

    Carranza, M Pilar; Manzano, Blanca R; Jalón, Félix A; Rodríguez, Ana M; Santos, Lucía; Moreno, Miquel


    The synthesis of several silver double helices containing bis(3,5dimethylpyrazolyl)-6-(R)-s-triazine ligands is described. The structure of two of them has been determined by X-ray difraction. Both derivatives represent the first reported examples of a new interaction mode for a triazine ring that involves a triazine N atom bridging two metal centers. Argentophilic contacts are also present. The Ag-N and Ag-Ag interactions have been demonstrated by theoretical studies, which also showed the clear influence of weak interactions with the counteranion and the effect of the symmetry of the triazine substituent. The different donor characters of these substituents allows a modulation of the strength of the bridging Ag-N(triazine) interaction. Double pi-pi stacking, anion-pi interactions, hydrogen bonds, and hydrophobic effects are observed in an unusual highly symmetrical interpenetrated three-dimensional superstructure.

  19. Dissecting the Influence of Two Structural Substituents on the Differential Neurotoxic Effects of Acute Methamphetamine and Mephedrone Treatment on Dopamine Nerve Endings with the Use of 4-Methylmethamphetamine and Methcathinone. (United States)

    Anneken, John H; Angoa-Pérez, Mariana; Sati, Girish C; Crich, David; Kuhn, Donald M


    Mephedrone (MEPH) is a β -ketoamphetamine stimulant drug of abuse that is often a constituent of illicit bath salts formulations. Although MEPH bears remarkable similarities to methamphetamine (METH) in terms of chemical structure, as well as its neurochemical and behavioral effects, it has been shown to have a reduced neurotoxic profile compared with METH. The addition of a β -keto moiety and a 4-methyl ring substituent to METH yields MEPH, and a loss of direct neurotoxic potential. In the present study, two analogs of METH, methcathinone (MeCa) and 4-methylmethamphetamine (4MM), were assessed for their effects on mouse dopamine (DA) nerve endings to determine the relative contribution of each individual moiety to the loss of direct neurotoxicity in MEPH. Both MeCa and 4MM caused significant alterations in core body temperature as well as locomotor activity and stereotypy, but 4MM was found to elicit minimal dopaminergic toxicity only at the highest dose. By contrast, MeCa caused significant reductions in all markers of DA nerve-ending damage over a range of doses. These results lead to the conclusion that ring substitution at the 4-position profoundly reduces the neurotoxicity of METH, whereas the β -keto group has much less influence on this property. Although the mechanism(s) by which the 4-methyl substituent reduces METH-induced neurotoxicity remains unclear, it is speculated that this effect is mediated by a loss of DA-releasing action in MEPH and 4MM at the synaptic vesicle monoamine transporter, an effect that is thought to be critical for METH-induced neurotoxicity. Copyright © 2017 by The American Society for Pharmacology and Experimental Therapeutics.

  20. The para substituent of S-3-(phenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamides is a major structural determinant of in vivo disposition and activity of selective androgen receptor modulators. (United States)

    Kim, Juhyun; Wu, Di; Hwang, Dong Jin; Miller, Duane D; Dalton, James T


    Selective androgen receptor modulators (SARMs) have many potential therapeutic applications, including male hypogonadism, osteoporosis, muscle-wasting diseases, sexual libido, and contraception. A series of S-3-(phenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamides bearing a four-halogen substituent in the B-ring that displayed in vivo activity were identified in our previous study. Interestingly, in vivo pharmacological activity was not correlated with in vitro androgen receptor (AR) binding affinity. In this study, analysis of the area under the concentration-time curve-response relationship demonstrated that the discrepancy between in vitro and in vivo pharmacological activity of these halogen-substituted SARMs was due to differences in systemic exposure rather than intrinsic pharmacological activity. Studies also suggested that two simple criteria (i.e., Ki SARMs. We tested this hypothesis using a series of four compounds incorporating either a nitro or cyano substituent at the para-position of the A- and B-aromatic rings. The S-3-(4-nitrophenoxy) and S-3-(4-cyanophenoxy) 2-hydroxy-2-methyl-N-(4-nitro-3-trifluromethylphenyl) propionamides (S-19 and S-20, respectively) and S-3-(4-nitrophenoxy) and S-3-(4-cyanophenoxy) 2-hydroxy-2-methyl-N-(4-cyano-3-trifluromethylphenyl) propionamides (S-21 and S-22, respectively) demonstrated high AR binding affinity, with Ki values ranging from 2.0 to 3.8 nM. Pharmacokinetic studies of selected compounds showed that the in vivo clearance of S-22 was the slowest followed sequentially by S-20, S-21, and S-19. The dose-response relationships for S-22 showed that S-22 exerted efficacious and selective activity in anabolic tissues at dose rates as low as 0.03 mg/day, indicative of the high potency of this compound in anabolic tissue (relative potency 4.41) and its potential for clinical use in androgen deficiency-related disorders.

  1. Design of catalysts by different substituent groups to the ;cut g-C3N4; single layer (United States)

    Xu, Weiwei; Tang, Chao; Chen, Chongyang; Li, Youyong; Xu, Lai


    Graphitic carbon nitride has been wildly studied as a kind of promising photocatalysts for hydrogen evolution. However, it has a low intrinsic activity. Herein, we designed new periodic structures "cut g-C3N4", and adding the new substituent groups. We employed density functional theory to calculate the charge distribution and catalytic properties of hydrogen evolution on the structures. We got a theoretical view that introducing conjugate substituents can enhance the catalytic performance for hydrogen evolution. Furthermore, it provided a theoretical guidance for the reasonable design of two dimensional non-metallic photocatalysts, with lower activation barrier of the catalytic reaction.

  2. Mass Spectral Profile for Rapid Differentiating Beta-Lactams from Their Ring-Opened Impurities

    Directory of Open Access Journals (Sweden)

    Hecheng Wang


    Full Text Available High performance liquid chromatography tandem mass spectrometry (HPLC MS has been widely used for β-lactam antibiotics determination. However, its application to identify impurities of these frequently used drugs is not sufficient at present. In this job, characteristic profiles of the collision induced dissociation (CID spectra of both β-lactams and ring-opened β-lactams were extracted from the MS data of six β-lactam antibiotics and their forty-five impurities, and were confirmed by the MS data reported in the literature. These characteristics have been successfully applied to rapid differentiation of β-lactam and ring-opened β-lactam impurities in cefixime, cefdinir, and cefaclor. However, these characteristic profiles can only be obtained under low activating voltage. They did not display in the high energy activated CID spectra. Diagnostic fragmentations for determining the localization of double bond and substituents on the thiazine ring and the side chain were also observed. In addition, several characteristic fragmentations are hopeful to be used to differentiate the configurations of C-2 on the thiazine ring of ring-opened impurities, which is generally disadvantageous of mass spectrometry. Taken together, forty-five impurities were identified from the capsules of cefixime, cefdinir, and cefaclor.

  3. Investigations into the construction of the pentasubstituted ring C of Neosurugatoxin – a crystallographic study

    Directory of Open Access Journals (Sweden)

    Alan M. Jones


    Full Text Available The crystal structures of three cyclopenta[c]furans with various substituents at the 4-, 5- and 6-positions of the ring system are reported, namely, (±-(3aR,4S,5S,6aS-4-methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-4,5-diol, C14H18O3, (I, (±-(3aR,4S,5S,6aS-4-benzyloxy-4-methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-5-ol, C21H24O3, (II, and (±-(1aR,1bS,4aR,5S,5aR-5-benzyloxy-5-methyl-5a-phenylhexahydro-2H-oxireno[2′,3′:3,4]cyclopenta[1,2-c]furan, C21H22O3, (III. The dominant interaction in (I and (II is an O—H...O hydrogen bond across the bicyclic 5,5-ring system between the non-functionalized hydroxy group and the tetrahydrofuran O atom, which appears to influence the envelope conformations of the fused five-membered rings, whereas in (III, the rings have different conformations. A weak intramolecular C—H...O interaction appears to influence the degree of tilt of the phenyl ring attached to the 5-position and is different in (I compared to (II and (III.

  4. Exothermic or Endothermic Decomposition of Disubstituted Tetrazoles Tuned by Substitution Fashion and Substituents. (United States)

    Jia, Yu-Hui; Yang, Kai-Xiang; Chen, Shi-Lu; Huang, Mu-Hua


    Nitrogen-rich compounds such as tetrazoles are widely used as candidates in gas-generating agents. However, the details of the differentiation of the two isomers of disubstituted tetrazoles are rarely studied, which is very important information for designing advanced materials based on tetrazoles. In this article, pairs of 2,5- and 1,5-disubstituted tetrazoles were carefully designed and prepared for study on their thermal decomposition behavior. Also, the substitution fashion of 2,5- and 1,5- and the substituents at C-5 position were found to affect the endothermic or exothermic properties. This is for the first time to the best of our knowledge that the thermal decomposition properties of different tetrazoles could be tuned by substitution ways and substitute groups, which could be used as a useful platform to design advanced materials for temperature-dependent rockets. The aza-Claisen rearrangement was proposed to understand the endothermic decomposition behavior.

  5. Substituent Dependence of Third-Order Optical Nonlinearity in Chalcone Derivatives (United States)

    Kiran, Anthony John; Satheesh Rai, Nooji; Chandrasekharan, Keloth; Kalluraya, Balakrishna; Rotermund, Fabian


    The third-order nonlinear optical properties of derivatives of dibenzylideneacetone were investigated using the single beam z-scan technique at 532 nm. A strong dependence of third-order optical nonlinearity on electron donor and acceptor type of substituents was observed. An enhancement in χ(3)-value of one order of magnitude was achieved upon the substitution of strong electron donors compared to that of the molecule substituted with an electron acceptor. The magnitude of nonlinear refractive index of these chalcones is as high as of 10-11 esu. Their nonlinear optical coefficients are larger than those of widely used thiophene oligomers and trans-1-[p-(p-dimethylaminobenzyl-azo)-benzyl]-2-(N-methyl-4-pyridinium)-ethene iodide (DABA-PEI) organic compounds.

  6. SOR-ring failure

    International Nuclear Information System (INIS)

    Kitamura, Hideo


    It was in the autumn of 1976 that the SOR-ring (synchrotron radiation storage ring) has commenced the regular operation. Since then, the period when the operation was interrupted due to the failures of SOR-ring itself is in total about 8 weeks. Failures and accidents have occurred most in the vacuum system. Those failure experiences are described on the vacuum, electromagnet, radio-frequency acceleration and beam transport systems with their interrupted periods. The eleven failures in the vacuum system have been reported, such as bellows breakage in a heating-evacuating period, leakage from the bellows of straight-through valves (made in U.S.A. and Japan), and leakage from the joint flange of the vacuum system. The longest interruption was 5 weeks due to the failure of a domestically manufactured straight-through valve. The failures of the electromagnet system involve the breakage in a cooling water system, short circuit of a winding in the Q magnet power transformer, blow of a fuse protecting the deflection magnet power source by the current less than the rating, and others. The failures of the RF acceleration system include the breakage of an output electronic tube the breakage of a cavity ceramic, RF voltage fluctuation due to the contact deterioration at a cavity electrode, and the failure of grid bias power source. It is necessary to select the highly reliable components for the vacuum system because the vacuum system failures require longer time for recovery, and very likely to induce secondary and tertiary failures. (Wakatsuki, Y.)

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

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Groth, Thomas


    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...... to study steric and electronic effects on the ring opening reactions. For alkyl substituents at C-4, most of the results can be explained on the basis of intramolecular delivery of the nucleophile to C-3 via a six-membered transition state, leading to 1,4-diols or 1,4-amino alcohol derivatives. In general......, the epoxy alcohols gave poorer regioselectivity than the N-tosyl aziridino alcohols, for which selectivities of >95:5 were routinely obtained. The activating effect of a phenyl group at C-4 led to a switch in regiochemistry, with the 1,3-diol or 1,3-amino alcohol derivative as the major product. (C) 1997...

  8. New regioselective multicomponent reaction: one pot synthesis of spiro heterobicyclic aliphatic rings. (United States)

    Byk, G; Gottlieb, H E; Herscovici, J; Mirkin, F


    In the context of our high-throughput organic synthesis program, we have studied the reactivity of special beta-keto esters toward the Biginelli reaction. We have found that a cyclic beta-keto ester reacts with one molecule of urea and two molecules of aldehyde to give a new family of spiro heterobicyclic aliphatic rings in good yields. Interestingly, the Biginelli product was not detected. After analysis of products using HPLC, 1H NMR, and 13C NMR, we have found that the reaction is driven by a regio-specific condensation of two molecules of aldehyde with the other reagents to afford only products harboring substituents exclusively in cis configuration. Monte Carlo minimization studies using MM2 force field suggest that cis products are energetically more stable than the trans counterparts. Together with previously reported data, these results suggest that the trans products were not obtained as result of steric hindrance produced by the equatorial position of one of the ring substituents. This new reaction is useful for high-throughput organic synthesis. Indeed, the new scaffold can be used to introduce additional groups in the molecules through remaining functional groups by a "domino strategy".

  9. Femtoslicing in Storage Rings

    CERN Document Server

    Khan, Shaukat


    The generation of ultrashort synchrotron radiation pulses by laser-induced energy modulation of electrons and their subsequent transverse displacement, now dubbed "femtoslicing," was demonstrated at the Advanced Light Source in Berkeley. More recently, a femtoslicing user facility was commissioned at the BESSY storage ring in Berlin, and another project is in progress at the Swiss Light Source. The paper reviews the principle of femtoslicing, its merits and shortcomings, as well as the variations of its technical implementation. Various diagnostics techniques to detect successful laser-electron interaction are discussed and experimental results are presented.

  10. Proton storage rings

    International Nuclear Information System (INIS)

    Rau, R.R.


    A discussion is given of proton storage ring beam dynamic characteristics. Topics considered include: (1) beam energy; (2) beam luminosity; (3) limits on beam current; (4) beam site; (5) crossing angle; (6) beam--beam interaction; (7) longitudinal instability; (8) effects of scattering processes; (9) beam production; and (10) high magnetic fields. Much of the discussion is related to the design parameters of ISABELLE, a 400 x 400 GeV proton---proton intersecting storage accelerator to be built at Brookhaven National Laboratory

  11. Fusion Rings for Quantum Groups

    DEFF Research Database (Denmark)

    Andersen, Henning Haahr; Stroppel, Catharina


    We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from Korff, C., Stroppel, C.: The sl(ˆn)k-WZNW fusion ring: a combinato-rial construction and a realis......We study the fusion rings of tilting modules for a quantum group at a root of unity modulo the tensor ideal of negligible tilting modules. We identify them in type A with the combinatorial rings from Korff, C., Stroppel, C.: The sl(ˆn)k-WZNW fusion ring: a combinato-rial construction...... and a realisation as quotient of quantum cohomology. Adv. Math. 225(1), 200–268, (2010) and give a similar description of the sp2n-fusion ring in terms of non-commutative symmetric functions. Moreover we give a presentation of all fusion rings in classical types as quotients of polynomial rings. Finally we also...... compute the fusion rings for type G2....

  12. Viscosity of ring polymer melts

    KAUST Repository

    Pasquino, Rossana


    We have measured the linear rheology of critically purified ring polyisoprenes, polystyrenes, and polyethyleneoxides of different molar masses. The ratio of the zero-shear viscosities of linear polymer melts η0,linear to their ring counterparts η0,ring at isofrictional conditions is discussed as a function of the number of entanglements Z. In the unentangled regime η0,linear/η 0,ring is virtually constant, consistent with the earlier data, atomistic simulations, and the theoretical expectation η0,linear/ η0,ring = 2. In the entanglement regime, the Z-dependence of ring viscosity is much weaker than that of linear polymers, in qualitative agreement with predictions from scaling theory and simulations. The power-law extracted from the available experimental data in the rather limited range 1 < Z < 20, η0,linear/η0,ring ∼ Z 1.2±0.3, is weaker than the scaling prediction (η0,linear/η0,ring ∼ Z 1.6±0.3) and the simulations (η0,linear/ η0,ring ∼ Z2.0±0.3). Nevertheless, the present collection of state-of-the-art experimental data unambiguously demonstrates that rings exhibit a universal trend clearly departing from that of their linear counterparts, and hence it represents a major step toward resolving a 30-year-old problem. © 2013 American Chemical Society.

  13. Saturn ring temperature variations with approaching ring equinox (United States)

    Spilker, L.; Leyrat, C.; Flandes, A.; Altobelli, N.; Pilorz, S.; Ferrari, C.; Edgington, S.


    Cassini's Composite Infrared Spectrometer (CIRS) has acquired a wide-ranging set of thermal measurements of Saturn's main rings (A, B, C and Cassini Division) at solar elevations ranging from less than one degree to 24 degrees. At Saturn equinox in August the solar elevation angle will reach zero as the sun traverses from the south to north side of the rings. For the data acquired to date, temperatures were retrieved for the lit and unlit rings over a variety of ring geometries that include solar elevation, as well as spacecraft elevation, phase angle and local hour angle. To first order, the largest temperature changes on the lit face of the rings are driven by variations in phase angle while differences in temperature with changing spacecraft elevation and local time are a secondary effect. Decreasing ring temperature with decreasing solar elevation are observed for both the lit and unlit faces of the rings after phase angle and local time effects are taken into account. As the solar elevation continues to decrease, the ring temperatures are decreasing in a non-linear fashion. The difference in temperature between the lit and unlit sides of the rings is decreasing also with decreasing solar elevation. Using ring thermal models developed by Leyrat we extrapolate to the expected minimum ring temperatures at equinox for our planned CIRS ring observations. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA and at CEA Saclay supported by the "Programme National de Planetologie". Copyright 2009 California Institute of Technology. Government sponsorship acknowledged.

  14. New photoresponsive (meth)acrylate (co)polymers containing azobenzene pendant sidegroups with carboxylic and dimethylamino substituents .1. Synthesis and characterization of the monomers

    NARCIS (Netherlands)

    Haitjema, HJ; Buruma, R; VanEkenstein, GORA; Tan, YY; Challa, G


    New azobenzene-based (az.b.) monomers with CO2H (acid) or N(CH3)(2) (basic) substituents were synthesized. For some of these compounds new synthetic routes had to be developed, especially for the az.b. monomers with a CO2H substituent (azoacids) where their synthesis, purification and (thermal)

  15. Ring Image Analyzer (United States)

    Strekalov, Dmitry V.


    Ring Image Analyzer software analyzes images to recognize elliptical patterns. It determines the ellipse parameters (axes ratio, centroid coordinate, tilt angle). The program attempts to recognize elliptical fringes (e.g., Newton Rings) on a photograph and determine their centroid position, the short-to-long-axis ratio, and the angle of rotation of the long axis relative to the horizontal direction on the photograph. These capabilities are important in interferometric imaging and control of surfaces. In particular, this program has been developed and applied for determining the rim shape of precision-machined optical whispering gallery mode resonators. The program relies on a unique image recognition algorithm aimed at recognizing elliptical shapes, but can be easily adapted to other geometric shapes. It is robust against non-elliptical details of the image and against noise. Interferometric analysis of precision-machined surfaces remains an important technological instrument in hardware development and quality analysis. This software automates and increases the accuracy of this technique. The software has been developed for the needs of an R&TD-funded project and has become an important asset for the future research proposal to NASA as well as other agencies.

  16. Flexible ring seal

    International Nuclear Information System (INIS)

    Abbes, Claude; Gournier, Andre; Rouaud, Christian; Villepoix, Raymond de.


    The invention concerns a flexible metal ring seal, able to ensure a perfect seal between two bearings due to the crushing and elastic deformation properties akin to similar properties in elastomers. Various designs of seal of this kind are already known, particularly a seal made of a core formed by a helical wire spring with close-wound turns and with high axial compression ratio, closed on itself and having the shape of an annulus. This wire ring is surrounded by at least one envelope having at rest the shape of a toroidal surface of which the generating circle does not close on itself. In a particular design mode, the seal in question can include, around the internal spring, two envelopes of which one in contact with the spring is composed of a low ductility elastic metal, such as mild steel or stainless steel and the other is, on the contrary, made of a malleable metal, such as copper or nickel. The first envelope evenly distributes the partial crushing of the spring, when the seal is tightened, on the second envelope which closely fits the two surfaces between which the seal operates. The stress-crushing curve characteristic of the seal comprises two separate parts, the first with a relatively sharp slope corresponds to the start of the seal compression phase, enabling at least some of these curves to reach the requisite seal threshold very quickly, then, beyond this, a second part, practically flat, where the stress is appreciably constant for a wide operating bracket [fr

  17. NRL ion ring program

    International Nuclear Information System (INIS)

    Kapetanakos, C.A.; Golden, J.; Drobot, A.; Mahaffey, R.A.; Marsh, S.J.; Pasour, J.A.


    An experiment is under way to form a storng proton ring using the 200 ka, 1.2 MeV, 50 nsec hollow proton beam recently generated at NRL. The 5 m long magnetic field configuration consists of a magnetic cusp, a compressing magnetic field, a gate field and a magnetic mirror. The midplane value of the magnetic mirror is such that the major radius of the ring will be about 10 cm. The degree of field reversal that will be achieved with 5 x 10 16 protons per pulse from the existing beam depends upon the field reversal is possible with the 600 kA proton beam that would be generated from the low inductance coaxial triode coupled to the upgraded Gamble II generator. The propagation and trapping of an intense proton beam in the experimental magnetic field configuration is investigated numerically. The results show that the self magnetic has a very pronounced effect on the dynamics of the gyrating protons

  18. Supramolecular synthons on surfaces : Controlling dimensionality and periodicity of tetraarylporphyrin assemblies by the interplay of cyano and alkoxy substituents

    NARCIS (Netherlands)

    Wintjes, Nikolai; Hornung, Jens; Lobo-Checa, Jorge; Voigt, Tobias; Samuely, Tomáš; Thilgen, Carlo; Stöhr, Meike; Diederich, François; Jung, Thomas A.


    The self-assembly of three porphyrin derivatives was studied in detail on a Cu(111) substrate by means of scanning tunneling microscopy (STM). All derivatives have two 4-cyanophenyl substituents in diagonally opposed meso-positions of the porphyrin core. but differ in the nature of the other two

  19. Substituent Effects Dehalogenation of Aryl Bromides with NaAlH2(OCH2CH2OCH3)2

    Czech Academy of Sciences Publication Activity Database

    Czakoová, Marie; Hetflejš, Jiří; Včelák, Jaroslav


    Roč. 72, č. 2 (2001), s. 277-287 ISSN 0133-1736 R&D Projects: GA ČR GA203/97/1173 Institutional research plan: CEZ:AV0Z4072921 Keywords : substituent effects * aryl bromides * Co-assisted debromination Subject RIV: CC - Organic Chemistry Impact factor: 0.475, year: 2001

  20. Bipolar Alq3-based complexes: Effect of hole-transporting substituent on the properties of Alq3-center

    International Nuclear Information System (INIS)

    Luo Jianxin; Lu Mangeng; Yang Chaolong; Tong Bihai; Liang Liyan


    Two bipolar Alq 3 -based complexes, tris{5-[(carbazole-9'-yl)methyl]-8-hydroxyquinoline} aluminum (Al(CzHQ) 3 ) and tris{5-[(phenothiazine-9'-yl)methyl]-8-hydroxyquinoline} aluminum (Al(PHQ) 3 ), involving an Alq 3 -center and three hole-transporting substituents (carbazole or phenothiazine), were prepared and characterized. Effects of hole-transporting substituent on the properties of Alq 3 -center were investigated in detail. It is found that the two complexes have improved hole-transporting performance and appropriate thermal stability (the 5%-weight-loss temperatures T 5% >260 °C). Photoluminescence (PL) spectra indicate that both energy transfer and electron transfer can take place simultaneously in the PL process of these complexes. Both thermodynamics and dynamics of the electron transfer were studied and corresponding parameters were calculated. Energy transfer is favorable for the PL of Alq 3 -center, while electron transfer is unfavorable for the PL of Alq 3 -center. These results will be useful to explore novel OLEDs material with increased efficiency. - Highlights: ► Effects of substituent on the properties of Alq 3 -center were investigated. ► Energy transfer and electron transfer can transfer from substituent to Alq 3 -center. ► The thermodynamics and dynamics of electron transfer were studied. ► The mechanisms of PL and EL of Al(CzHQ) 3 were studied and compared with each other.

  1. Conformational instability of the lowest triplet state of the benzene nucleus: II. p-Xylene, the influence of substituents

    NARCIS (Netherlands)

    van der Waals, J.H.; van Hemert, M.C.; Buma, W.J.


    A calculation of the potential-energy surface of the lowest triplet state of p-xylene as a function of the S8(,) distortion coordinate of the benzene skeleton has been made to learn more about the influence of substituents on the vibronically induced distortion of benzene in its metastable triplet

  2. Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes (United States)

    Zhou, Xiuwen; Burn, Paul L.; Powell, Benjamin J.


    Ligand substitution is often used for tuning the emission color of phosphorescent iridium(iii) complexes that are used in organic light-emitting diodes. However, in addition to tuning the emission color, the substituents can also affect the radiative and non-radiative decay rates of the excited state and hence the photoluminescence quantum yield. Understanding the substituent effect is therefore important for the design of new iridium(iii) complexes with specific emission properties. Using (time dependent) density functional methods, we investigate the substituent effect of n-propyl groups on the structure, emission color, and emission efficiency of fac-tris(1-methyl-5-phenyl-[1,2,4]triazolyl)iridium(iii) based phosphorescent complexes by comparing the calculated results for structural models with and without the n-propyl substituents. We find that attachment of the n-propyl groups increases the length of three Ir-N bonds, and although the emission color does not change significantly, the radiative and non-radiative rates do, leading to a prediction of enhanced blue phosphorescence emission efficiency. Furthermore, the calculations show that the attachment of the n-propyl groups leads to a larger activation energy to degradation and the formation of dark states.

  3. Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones

    Directory of Open Access Journals (Sweden)

    Zora Šusteková


    Full Text Available Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS and IR carbonyl group wave numbers [ν(C3═O] were studied using dual substituent parameter (DSP models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended π-polarization was observed. On the other hand, the DSP approaches for the C3 atom showed normal substituent effects with some contribution of reverse effect supported strongly by 13C-SCS correlations. In the ν(C3═O and p(C3═O DSP correlations the field effect contribution predominates over the resonance effect, which justifies the using of earlier suggested vibrational coupling (V-C model for 5- and 6-substituted indole-2,3-diones.

  4. Supramolecular Switches Based on the Guanine–Cytosine (GC) Watson–Crick Pair: Effect of Neutral and Ionic Substituents

    NARCIS (Netherlands)

    Guerra, C.F.; van der Wijst, T.; Bickelhaupt, F.M.


    We have theoretically analyzed Watson–Crick guanine–cytosine (GC) base pairs in which purine-C8 and/or pyrimidine-C6 positions carry a substituent X = NH−, NH2, NH3+ (N series), O−, OH, or OH2+ (O series), using the generalized gradient approximation (GGA) of density functional theory at the

  5. On thickness of Saturn rings

    International Nuclear Information System (INIS)

    Brahic, Andre; Laques, Pierre; Lecacheux, Jean; Servan, Bernard; Despiau, Raymond; Michet, Daniel; Renard, Leopold


    Electronographic plates of Saturn were taken during the transit of the Earth through the ring plane. Observing conditions were more favorable than those prevailing in 1966. Thanks to the quality of the detectors and the telescopes, it has been possible to make a more precise photometric determination of the brightness of the ring seen edge on and to measure the brightness variation with respect to the distance to the center of the planet. Extrapolating to the case where the elevation of the Earth above the ring plane is strictly zero, we deduce an apparent photometric ring thickness equal to 1.5+-0.3 km. For an homogeneous layer of small particles colliding inelastically, theory predicts a thickness of the order of a few particles radii, i.e. a few tens of meters. The observed brightness could be explained by the E ring, the brightness of large chunks, condensations and warping of the ring [fr

  6. The alternating of substituent effect on the 13C NMR shifts of all bridge carbons in cinnamyl aniline derivatives (United States)

    Chen, Guanfan; Cao, Chenzhong; Zhu, Yun; Wu, Zhenxing; Wu, Xiangsi


    Bridge carbon 13C NMR shifts of a wide set of substituted cinnamyl anilines p-XC6H4CHdbnd CHCHdbnd NC6H4Y-p (Xdbnd NO2, Cl, H, Me, MeO, or NMe2; Ydbnd NO2, CN, CO2Et, Cl, F, H, Me, MeO or NMe2) had been used as a probe to study the change of substituent effect in the conjugated system. The goal of this work was to study the difference among the substituent effect on SCS of all bridge carbons, and find the alternating of substituent effect in this model compounds. In this study, it was found that the change of the inductive effect and the conjugative effect on different bridge carbons is related to the bond number (m) from the substituent to the corresponding carbon, and the adjusted parameters σF(rel)∗ and σR(ver)∗ can be suitable to scale the difference of the inductive effect and the conjugative effect on bridge carbons. Moreover, because of the difference of substituent effect on bridge carbons, the substituent cross-interaction item Δσ2Δσ2=σ was not suitable simply to scale the interaction between substituents X and Y for all bridge carbons, so the Δσ2 was recommended to be divided into two parts: ΔσF(rel)2ΔσF(rel)2=σ and ΔσR(ver)2ΔσR(ver)2=σ. With σF(rel)∗, σR(ver)∗, ΔσF(rel)2, ΔσR(ver)2, and δC,parent, the obtained correlation equation can be used to correlate with the 159 sorts of SCS of the different bridge carbon in cinnamyl aniline derivatives. The correlation coefficient is 0.9993, and the standard deviation is only 0.53 ppm. The multi-parameter correlation equation can be recommended to predict well the corresponding bridge carbons SCS of disubstituted cinnamyl anilines.

  7. Saturn's Rings and Associated Ring Plasma Cavity: Evidence for Slow Ring Erosion (United States)

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


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

  8. Caustic rings of dark matter

    International Nuclear Information System (INIS)

    Sikivie, P.


    It is shown that the infall of collisionless dark matter onto isolated galaxies produce a series of caustic rings in the halo dark matter distribution. The properties of these caustics are investigated. It is found in particular that the density profile of the caustic behaves as the inverse distance to the ring. Bumps in the rotation curve of NGC 3198 are interpreted as due to caustic rings of dark matter

  9. Acceleration of magnetized plasma rings

    International Nuclear Information System (INIS)

    Hartman, D.; Eddleman, J.; Hammer, J.H.


    One scheme is considered, acceleration of a ring between coaxial electrodes by a B/sub theta/ field as in a coaxial rail-gun. If the electrodes are conical, a ring accelerated towards the apex of the cone undergoes self-similar compression (focussing) during acceleration. Because the allowable acceleration force F/sub a/ = kappa U/sub m//R (kappa - 2 , the accelerating distance for conical electrodes is considerably shortened over that required for coaxial electrodes. In either case however, since the accelerating flux can expand as the ring moves, most of the accelerating field energy can be converted into kinetic energy of the ring leading to high efficiency

  10. Saturn's Rings Edge-on (United States)


    In one of nature's most dramatic examples of 'now-you see-them, now-you-don't', NASA's Hubble Space Telescope captured Saturn on May 22, 1995 as the planet's magnificent ring system turned edge-on. This ring-plane crossing occurs approximately every 15 years when the Earth passes through Saturn's ring plane.For comparison, the top picture was taken by Hubble on December 1, 1994 and shows the rings in a more familiar configuration for Earth observers.The bottom picture was taken shortly before the ring plane crossing. The rings do not disappear completely because the edge of the rings reflects sunlight. The dark band across the middle of Saturn is the shadow of the rings cast on the planet (the Sun is almost 3 degrees above the ring plane.) The bright stripe directly above the ring shadow is caused by sunlight reflected off the rings onto Saturn's atmosphere. Two of Saturn's icy moons are visible as tiny starlike objects in or near the ring plane. They are, from left to right, Tethys (slightly above the ring plane) and Dione.This observation will be used to determine the time of ring-plane crossing and the thickness of the main rings and to search for as yet undiscovered satellites. Knowledge of the exact time of ring-plane crossing will lead to an improved determination of the rate at which Saturn 'wobbles' about its axis (polar precession).Both pictures were taken with Hubble's Wide Field Planetary Camera 2. The top image was taken in visible light. Saturn's disk appears different in the bottom image because a narrowband filter (which only lets through light that is not absorbed by methane gas in Saturn's atmosphere) was used to reduce the bright glare of the planet. Though Saturn is approximately 900 million miles away, Hubble can see details as small as 450 miles across.The Wide Field/Planetary Camera 2 was developed by the Jet Propulsion Laboratory and managed by the Goddard Spaced Flight Center for NASA's Office of Space Science.This image and other images and

  11. Integrated Ring Resonators The Compendium

    CERN Document Server

    Rabus, Dominik G


    The optical filter, which has emerged in the last few years in integrated optics, is resonator based. Ring-resonator filters do not require facets or gratings for optical feedback and are thus particularly suited for monolithic integration with other components. Ring resonators find applications not only in optical networks, but also as sensors. The required passband shape of ring resonator-filters can be custom designed by the use of configurations of various ring coupled resonators. This book describes the current state-of-the-art on these devices with respect to design, fabrication and application.

  12. ring og refleksion

    DEFF Research Database (Denmark)

    Wahlgren, B.; Rattleff, Pernille; Høyrup, S.

    State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen.......State of the art inden for forskning om læring på arbejdspladsen samt gennemgang af læringsteori og refleksionsbegrebet hos Dewey, Dreyfus, Schön, Argyris, Kolb, Jarvis, Mezirow og Brookfield. Afsluttes med diskussion af syntetiseret model for læring på arbejdspladsen....

  13. Coiffured black rings (United States)

    Bena, Iosif; Ross, Simon F.; Warner, Nicholas P.


    We describe a new type of hair on supersymmetric black string and black ring solutions, which produces the largest known violation of black hole uniqueness, parameterized by an arbitrary function and hence an infinite number of continuous parameters. The new solutions can have non-trivial density profiles for the electric fields along the horizon, and yet have a geometry that is regular, although generically not infinitely differentiable, at the horizon. Both neutral and charged probes can cross the horizon without experiencing divergent forces. We also find restricted examples, parameterized by a few arbitrary continuous parameters, where the charge densities fluctuate but the metric does not and hence is completely differentiable. Our new class of solutions owes its existence to a mechanism reminiscent of the Q-ball: in the simplest examples the metric has more symmetry than the matter that supports it.

  14. Ring-constrained Join

    DEFF Research Database (Denmark)

    Yiu, Man Lung; Karras, Panagiotis; Mamoulis, Nikos


    We introduce a novel spatial join operator, the ring-constrained join (RCJ). Given two sets P and Q of spatial points, the result of RCJ consists of pairs (p, q) (where p ε P, q ε Q) satisfying an intuitive geometric constraint: the smallest circle enclosing p and q contains no other points in P, Q....... This new operation has important applications in decision support, e.g., placing recycling stations at fair locations between restaurants and residential complexes. Clearly, RCJ is defined based on a geometric constraint but not on distances between points. Thus, our operation is fundamentally different...... from the conventional distance joins and closest pairs problems. We are not aware of efficient processing algorithms for RCJ in the literature. A brute-force solution requires computational cost quadratic to input size and it does not scale well for large datasets. In view of this, we develop efficient...

  15. On separable extensions of group rings and quaternion rings

    Directory of Open Access Journals (Sweden)

    George Szeto


    Full Text Available The purposes of the present paper are (1 to give a necessary and sufficient condition for the uniqueness of the separable idempotent for a separable group ring extension RG(R may be a non-commutative ring, and (2 to give a full description of the set of separable idempotents for a quaternion ring extension RQ over a ring R, where Q are the usual quaternions i,j,k and multiplication and addition are defined as quaternion algebras over a field. We shall show that RG has a unique separable idempotent if and only if G is abelian, that there are more than one separable idempotents for a separable quaternion ring RQ, and that RQ is separable if and only if 2 is invertible in R.

  16. A fulleropyrrolidine with two oligophenylenevinylene substituents: synthesis, electrochemistry and photophysical properties


    Nicola Armaroli; Francesco Barigelletti; Paola Ceroni; Jean-François Eckert; Jean-François Nierengarten


    A fullerene derivative in which two oligophenylenevinylene (OPV) groupsare attached to C60 through a pyrrolidine ring has been prepared and photophysical studies in CH2CL2 solution show that photoinduced energy transfer from the OPV moieties to C60 occurs, and not electron transfer. On passing to a more polar solvent such as benzonitrile, again no evidence of electron transfer is found.

  17. Ring-size-selective construction of fluorine-containing carbocycles via intramolecular iodoarylation of 1,1-difluoro-1-alkenes

    Directory of Open Access Journals (Sweden)

    Takeshi Fujita


    Full Text Available 1,1-Difluoro-1-alkenes bearing a biaryl-2-yl group effectively underwent site-selective intramolecular iodoarylation by the appropriate cationic iodine species. Iodoarylation of 2-(2-aryl-3,3-difluoroallylbiaryls proceeded via regioselective carbon–carbon bond formation at the carbon atoms in β-position to the fluorine substituents, thereby constructing dibenzo-fused six-membered carbocycles bearing a difluoroiodomethyl group. In contrast, 2-(3,3-difluoroallylbiaryls underwent a similar cyclization at the α-carbon atoms to afford ring-difluorinated seven-membered carbocycles.

  18. A new family of four-ring bent-core nematic liquid crystals with highly polar transverse and end groups

    Directory of Open Access Journals (Sweden)

    Kalpana Upadhyaya


    Full Text Available Non-symmetrically substituted four-ring achiral bent-core compounds with polar substituents, i.e.., chloro in the bent or transverse direction in the central core and cyano in the lateral direction at one terminal end of the molecule, are designed and synthesized. These molecules possess an alkoxy chain attached at only one end of the bent-core molecule. The molecular structure characterization is consistent with data from elemental and spectroscopic analysis. The materials thermal behaviour and phase characterization have been investigated by differential scanning calorimetry and polarizing microscopy. All the compounds exhibit a wide-ranging monotropic nematic phase.

  19. DELPHI's Ring Imaging Cherenkov Chamber

    CERN Multimedia


    The hundreds of mirrors around this Ring Imaging Cherenkov Chamber reflect cones of light created by fast moving particles to a detector. The velocity of a particle can be measured by the size of the ring produced on the detector. DELPHI, which ran from 1989 to 2000 on the LEP accelerator, was primarily concerned with particle identification.

  20. Caustic rings of dark matter


    Sikivie, Pierre


    It is shown that the infall of collisionless dark matter onto isolated galaxies produces a series of caustic rings in the halo dark matter distribution. The properties of these caustics are investigated. The density profile of the caustic is derived for a specific case. Bumps in the rotation curve of NGC 3198 are interpreted as due to caustic rings of dark matter.

  1. Pyrimidine-pyridine ring interconversion

    NARCIS (Netherlands)

    Plas, van der H.C.


    This chapter discusses the pyrimidine-to-pyridine ring transformation and pyridine-to-pyrimidine ring transformation. In nucleophile-induced pyrimidine-to-pyridine rearrangements, two types of reactions can be distinguished depending on the structure of the nucleophile: (1) reactions in which the

  2. Binomial Rings: Axiomatisation, Transfer and Classification


    Xantcha, Qimh Richey


    Hall's binomial rings, rings with binomial coefficients, are given an axiomatisation and proved identical to the numerical rings studied by Ekedahl. The Binomial Transfer Principle is established, enabling combinatorial proofs of algebraical identities. The finitely generated binomial rings are completely classified. An application to modules over binomial rings is given.

  3. Burnside Rings of Fusion Systems

    DEFF Research Database (Denmark)

    Reeh, Sune Precht

    In this thesis we study the interactions between saturated fusion systems and group actions of the underlying p-groups. For a saturated fusion system F on a finite p-group S we construct the Burnside ring of F in terms of the finite S-sets whose actions respect the structure of the fusion system...... of Burnside rings given by multiplication with the characteristic idempotent, and we show that this map is the transfer map previously constructed. Applying these results, we show that for every saturated fusion system the ring generated by all (non-idempotent) characteristic elements in the p-local double...... Burnside ring is isomorphic to the p-local Burnside ring of the fusion system, and we disprove a conjecture by Park-Ragnarsson-Stancu on the composition product of fusion systems....

  4. Ionization cooling ring for muons

    Directory of Open Access Journals (Sweden)

    R. Palmer


    Full Text Available Practical ionization cooling rings could lead to lower cost or improved performance in neutrino factory or muon collider designs. The ring modeled here uses realistic three-dimensional fields. The performance of the ring compares favorably with the linear cooling channel used in the second U.S. Neutrino Factory Study. The normalized 6D emittance of an ideal ring is decreased by a factor of approximately 240, compared with a factor of only 15 for the linear channel. We also examine such real-world effects as windows on the absorbers and rf cavities and leaving empty lattice cells for injection and extraction. For realistic conditions the ring decreases the normalized 6D emittance by a factor of 49.

  5. Heteroleptic and Homoleptic Iron(III Spin-Crossover Complexes; Effects of Ligand Substituents and Intermolecular Interactions between Co-Cation/Anion and the Complex

    Directory of Open Access Journals (Sweden)

    Wasinee Phonsri


    Full Text Available The structural and magnetic properties of a range of new iron(III bis-tridentate Schiff base complexes are described with emphasis on how intermolecular structural interactions influence spin states and spin crossover (SCO in these d5 materials. Three pairs of complexes were investigated. The first pair are the neutral, heteroleptic complexes [Fe(3-OMe-SalEen(thsa] 1 and [Fe(3-MeOSalEen(3-EtOthsa] 2, where 3-R-HSalEen = (E-2-(((2-(ethylaminoethyliminomethyl-6-R-phenol and 3-R-H2thsa = thiosemicarbazone-3-R-salicylaldimine. They display spin transitions above room temperature. However, 2 shows incomplete and gradual change, while SCO in 1 is complete and more abrupt. Lower cooperativity in 2 is ascribed to the lack of π–π interactions, compared to 1. The second pair, cationic species [Fe(3-EtOSalEen2]NO3 3 and [Fe(3-EtOSalEen2]Cl 4 differ only in the counter-anion. They show partial SCO above room temperature with 3 displaying a sharp transition at 343 K. Weak hydrogen bonds from cation to Cl− probably lead to weaker cooperativity in 4. The last pair, CsH2O[Fe(3-MeO-thsa2] 5 and Cs(H2O2[Fe(5-NO2-thsa2] 6, are anionic homoleptic chelates that have different substituents on the salicylaldiminate rings of thsa2−. The Cs cations bond to O atoms of water and the ligands, in unusual ways thus forming attractive 1D and 3D networks in 5 and 6, respectively, and 5 remains HS (high spin at all temperatures while 6 remains LS (low spin. Comparisons are made to other literature examples of Cs salts of [Fe(5-R-thsa2]− (R = H and Br.

  6. Theoretical Study and Design of Phosphorescent Cyclometalated (C∧C*)PtII(acac) Complexes: The Substituent Effect Controls the Radiative and Nonradiative Decay Processes. (United States)

    Jiang, Xia; Chen, Guang-Hui; Gu, Min-Qiang; Wang, Qiang; Wu, Di


    Density functional theory (DFT) and time-dependent DFT calculations were performed to evaluate the influence of substituent effect of (1) R = 4-Me, (2) R = 4-OMe, and (3) R = 2,3-OC 6 H 4 on the phenyl ring of (C ∧ C*)Pt II (acac) (C ∧ C* = phenylimidazole, acac = acetylacetone), respectively, on absorption and phosphorescent spectra properties, as well as the radiative and nonradiative processes. We found that emissions of complexes 2 and 3 originate from the Kasha-like T 1 state, whereas that of complex 1 originates from non-Kasha T 2 state. Compared with the emission of complex 1, the emission peaks of 2 and 3 are red-shifted, which is attributed to p-π and π-π conjugation effects resulting from the electron-donating groups -OCH 3 and -OC 6 H 4 with ligand C ∧ C*, respectively. The radiative rate constants (κ r ) of 2 and 3 are larger than that of 1, namely, κ r (1) κ nr (2) > κ nr (3). According to Φ P = κ r /(κ r + κ nr ), the quantum yields should have the sequence Φ P (1) < Φ P (2) < Φ P (3), which is in accordance with the experiment. In addition, to guide experimental synthesis of highly efficient (C ∧ C*)Pt II (acac), a new complex 4 through extending the π-conjugation in the C ∧ C* ligand of (C ∧ C*)Pt II (acac) was theoretically designed, which has a larger quantum yield than 1-3.

  7. Theoretical Investigation on Charge Transfer Properties of 1,3,5-Tripyrrolebenzene (TPB and its Derivatives with Electron-withdrawing Substituents

    Directory of Open Access Journals (Sweden)

    Yong Hu


    Full Text Available The electronic structures and charge transport properties of 1,3,5-tripyrrolebenzene (TPB and its substituted derivatives with –F and –CN groups have been investigated by DFT calculations in combination with the Marcus hopping model. The dimer geometry was optimized by density functional theory method with dispersion force correction being included (DFT-D. Consequently, the charge transfer integral was evaluated. The calculation results show that the introduction of electron-withdrawing substituents does not significantly change the bond lengths and molecular symmetry of TPB, but lower the coplanarity between the pyrrole and benzene rings, especially in the case of CN substitution. Meanwhile, the introduction of electron-withdrawing groups can decrease the energy of the frontier molecular orbital and enhance the air stability. Fluorination makes the λe increase obviously while cyanation dose not. Generally speaking, the λe values of the title compounds are larger than their λh. Except for compounds 6 and 9, all others keep the face to face packing or have a slight slip in dimers, but the center of mass distances increase after fluorination or cyanation due to the distortion of the monomer’s coplanarity. The predicted quasi-one-dimensional electron mobility of the dimers is up to 0.433 cm2 V-1 s-1 at 298.15 K. The electron injection barriers of 2 and 7 are lower than that of TPB. The TPB derivatives of 1, 2, and 7 are potential n-channel materials with the high electron mobility. This work is licensed under a Creative Commons Attribution 4.0 International License.

  8. Influence of substituents in vinyl groups on reactivity of parylene during polymerization process

    International Nuclear Information System (INIS)

    Freza, Sylwia; Skurski, Piotr; Bobrowski, Maciej


    The MCSCF calculations indicate that both triplet and singlet state of biradical di-para-xylylene can exist during polymerization of parylene in gas phase and both can potentially react with vinyl molecules. The singlet-state open-shell dimer turned out to exhibit multiconfigurational character. In the case of triplet state of the dimer two mechanisms of the reactions with various species containing vinyl groups have been examined at the B3LYP/6-31G level. The kinetic and thermodynamical barriers have been estimated for the reaction path involving the π-bond cleavage as well as for the route describing the hydrogen atom transfer. It was found that the overall reactions are thermodynamically favorable, whereas appropriate kinetic barriers for certain derivatives are very small (close to 0 kcal/mol) which in turn makes allowances for easy reactivity under accessible conditions. The calculated mechanisms indicate the influence of substituents in vinyl groups for reactivity of parylene during LPCVD process.

  9. Aluminum-phosphorus triple bonds: Do substituents make Altbnd6 P synthetically accessible? (United States)

    Lu, Jia-Syun; Yang, Ming-Chung; Su, Ming-Der


    The effect of substitution on the potential energy surfaces of triple-bonded RAltbnd6 PR (R = F, OH, H, CH3, SiH3, SiMe(SitBu3)2, SiiPrDis2, Tbt (C6H2-2,4,6-{CH(SiMe3)2}3), and Ar∗ (C6H3-2,6-(C6H2-2,4,6-i-Pr3)2)) compounds was investigated by using the theoretical methods (i.e., M06-2X/Def2-TZVP, B3PW91/Def2-TZVP, B3LYP/LANL2DZ+dp, and CCSD(T)). The theoretical examinations reveal that all of the triple-bonded RAltbnd6 PR species prefer to adopt a bent form with a roughly perpendicular bond angle (∠ Al-P-R). In addition, the theoretical evidence demonstrates that only the bulkier substituents can efficiently stabilize the central Altbnd6 P triple bond. Moreover, the theoretical analyses (the natural bond orbital, the natural resonance theory, and the charge decomposition analysis) indicate that the bonding characters of the triply bonded RAltbnd6 PR molecules should be described as R‧Al

  10. One-dimensional self-assembly of phenylacetylene macrocycles: effect of peripheral substituents. (United States)

    Li, Jie; Zhou, Wei; Yang, Jiping; Lang, Xiufeng; Huang, Pengcheng


    Tetra- and tri-substituted m-phenylacetylene macrocycles with diethylene glycol monoethyl ether (DEG) phenylether peripheral side chains (PAM 1 and PAM 1') were synthesized, and both of them could self-assemble into well-defined one-dimensional (1D) structures through two kinds of fabrication processing. The recrystallization approach led to similar microbelts for PAMs 1 and 1' with hundreds of microns in length, 2-4 μm in width, and 200-300 nm in thickness. But AFM, XRD, and spectrum characterizations indicated that the microbelts of PAM 1' had smaller intercolumnar distances and more favorable π-π stacking. Two different nanostructures were obtained through the other processing of solvent evaporation: nanobelts for PAM 1 and twisted nanorods for PAM 1'. The different molecular arrangement and nanostructures could be ascribed to the different molecular structures, especially the different positioning of the peripheral substituents. This research provides a potential control over the morphology and the structure of the 1D assembly by adjusting the molecular structure as well as the sample processing. Copyright © 2013 Elsevier Inc. All rights reserved.

  11. Molecular binding thermodynamics of spherical guests by β-cyclodextrins bearing aromatic substituents

    Energy Technology Data Exchange (ETDEWEB)

    Li, Nan; Chen, Yong; Zhang, Ying-Ming; Wang, Li-Hua; Mao, Wen-Zhao; Liu, Yu, E-mail:


    Graphical abstract: - Highlights: • Different conformation of β-CD derivatives. • Enthalpy gain. • High binding ability. - Abstract: The molecular binding behaviors of two β-cyclodextrin (β-CD) derivatives bearing 1,2,3-triazole moieties, i.e. mono-6-deoxy-6-{4-(8-oxymethylquinolino)[1,2,3]triazolyl}-β-CD (1) and mono-6-deoxy-6-{4-(8-oxymethylnaphthol)[1,2,3]triazolyl}-β-CD (3), and their analogs without 1,2,3-triazole moieties, i.e. mono-6-deoxy-6-(8-oxymethylquinolino)-β-CD (2) and mono-6-deoxy-6-(8-oxymethylnaphthol)-β-CD (4) toward spherical guests (±)-borneol and (±)-camphor were investigated to elucidate how substituent moiety of host affects the binding abilities by 2D NMR as well as microcalorimetric titrations in aqueous phosphate buffer solution (pH 7.20) at 298.15 K. The binding modes of host–guest interactions obtained from 2D NMR displayed that host CDs without triazole moieties gave better induce-fit efficiency between hosts and guests, leading to stronger binding abilities. Thermodynamically, the inclusion complexation was driven by enthalpy with the stoichiometry of 1:1. Another factor contributed to the enhanced binding abilities was the enthalpy gain with the smaller entropy loss.

  12. DFT study of the effect of substituents on the absorption and emission spectra of Indigo

    Directory of Open Access Journals (Sweden)

    Cervantes-Navarro Francisco


    Full Text Available Abstract Background Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl, Sulfur (S, Selenium (Se and Bromine (Br substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. Results Calculations were performed based on the framework of density functional theory (DFT with the Becke 3- parameter-Lee-Yang-Parr (B3LYP functional, where the 6-31 G(d,p basis set was employed. The configuration interaction singles (CIS method with the same basis set was employed for the analysis of excited states and for the acquisition of the emission spectra. Conclusions The presented absorption and emission spectra were affected by the substitution position. When a hydrogen atom of the molecule was substituted by Cl or Br, practically no change in the absorbed and emitted energies relative to those of the indigo molecule were observed; however, when N was substituted by S or Se, the absorbed and emitted energies increased.

  13. Preference for occupany of axial positions by substituents bonded to the heterocyclic ring in penta-O-acetyl-(+)-catechin in the crystalline state (United States)

    Frank R. Fronczek; Garret Gannuch; Wayne L. Mattice; Richard W. Hemingway; Giacomo Chiari; Fred L. Tobiason; Karl Houglum; Armen Shanafelt


    The structure of penta-O-acetyl-(+)-catechin has been determined in the crystalline state. Crystals are monoclinic, space group C2, a=2320.0(7), b=980.1 (2), c=1108.0(3) pm, β=100.64(2)., Z=4, Dc=1.342 g cm-3, R=0.058 for 1121 observations. One of the acetyl groups is disordered. Axial positions...

  14. Synthesis and structural properties of 5,17-bis (N-methyl-N-arylaminocarbonyl)calix[4]arenes. Directing the substituents toward the cavity by use of the cis-generating property of the N-methylaminocarbonyl linker

    DEFF Research Database (Denmark)

    Krebs, Frederik C; Larsen, Mogens; Jørgensen, Mikkel


    by X-ray structural resolution. The use of the N-methylaminocarbonyl linker between the calix[4]arene and the aromatic substituent was found to have a dominant influence on the molecular structure, forcing the substituent toward the cavity of the calix[4]arene regardless of the size of the substituent...

  15. Evaluation of ring impedance of the Photon Factory storage ring

    International Nuclear Information System (INIS)

    Kiuchi, T.; Izawa, M.; Tokumoto, S.; Hori, Y.; Sakanaka, S.; Kobayashi, M.; Kobayakawa, H.


    The loss parameters of the ducts in the Photon Factory (PF) storage ring were evaluated using the wire method and the code TBCI. Both the measurement and the calculation were done for a different bunch length (σ) ranging from 23 to 80 ps. The PF ring impedance was estimated to be |Z/n|=3.2 Ω using the broadband impedance model. The major contribution to the impedance comes from the bellows and the gate valve sections. Improvements of these components will lower the ring impedance by half. (author)

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

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


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

  17. Decay ring status / studies

    CERN Document Server

    Chance, A


    The aim of "beta-beams" is to produce highly energetic pure electron neutrino and anti-neutrino beams coming from β-decay of radioactive ions. In CERN baseline, after accelerating, the ions 6He2+ and 18Ne10+ are stored in a racetrack-shaped-decay ring until they are lost [1]. Consequently, the injection compensates the losses which occurred between two cycles. Two main loss sources were identified: the β decay and the injection scheme. After giving the optics, we will see how to protect the magnetic elements from the decay products. The injections scheme will be then detailed with its implications. We will see that the injection process makes a collimation section in energy necessary. Since the magnetic elements are not perfect, we will take into account the magnet misalignment and the multipole defects in the dipoles. We will talk then about the closed orbit distortion due to misalignment defects and about the long-term transverse stability with the dynamic aperture.

  18. JAERI storage ring JSR

    International Nuclear Information System (INIS)

    Yokomizo, H.; Harada, S.; Yanagida, K.; Yokoyama, M.; Nagai, T.; Suzuki, Y.; Mashiko, K.; Ishizaki, N.; Tayama, H.


    A design study for a next generation 8 GeV synchrotron radiation facility is in progress in Japan, and the Japan Atomic Energy Research Institute (JAERI) and Institute of Physical and Chemical Research (RIKEN) have join forces in this project. A compact electron storage ring JSR has been under construction in the linac building in the Tokai Research Establishment of JAERI to serve for studies of various kind of accelerator technologies, examination of insertion devices and beam monitors, and training of young researchers. This paper describes the lattice design, injection system, magnets, vacuum system, RF system, control system and beam monitors and presents some operation results regarding the electron beam injection and storage. The JSR is presently in good condition concerning it's fundamental functions such as injection, storage at around 150 MeV and 300 MeV, and acceleration from 150 MeV and 300 MeV. Photon induced gas desorption is still large because the vacuum chamber has not been aged heavily by synchrotron radiation. (N.K.)

  19. Is the bell ringing?

    CERN Multimedia

    Francesco Poppi


    During the Nobel prize-winning UA1 experiment, scientists in the control room used to ring a bell if a particularly interesting event had occurred. Today, the “CMS Exotica hotline” routine produces a daily report that lists the exotic events that were recorded the day before.   Display of an event selected by the Exotica routine. Take just a very small fraction of the available data (max. 5%); define the events that you want to keep and set the parameters accordingly; run the Exotica routine and only look at the very few images that the system has selected for you. This is the recipe that a small team of CMS researchers has developed to identify the signals coming from possible new physics processes. “This approach does not replace the accurate data analysis on the whole set of data. However, it is a very fast and effective way to focus on just a few events that are potentially very interesting”, explains Maurizio Pierini (CERN), who developed the...

  20. Particle properties and processes in Uranus' rings (United States)

    Esposito, L. W.; Brahic, A.; Burns, J. A.; Marouf, Essam A.


    The particle properties and processes in the Uranian rings are analyzed from Voyager observations and ground-based data. Occultation observations of the epsilon ring are interpreted to yield an effective size of the ring particles that exceeds 70 cm, a surface mass density that exceeds 80 g/sq cm, and a ring vertical thickness greater than tens of meters for solid ice particles. The particles forming the classic rings are dark and gray, with albedo of 0.014 +/-0.004. It is argued that the small amount of dust that exists in the classical rings and between the rings in bands is created by erosion of ring particles and unseen satellites resulting from collisions and micrometeoroid bombardment. As proposed for regions of the other known ring systems, new ring material can be continually created by the destruction of small moons near the rings, which may explain the youthful appearance of the Uranian rings.

  1. Ion Rings for Magnetic Fusion

    Energy Technology Data Exchange (ETDEWEB)

    Greenly, John, B.


    This Final Technical Report presents the results of the program, Ion Rings for Magnetic Fusion, which was carried out under Department of Energy funding during the period August, 1993 to January, 2005. The central objective of the program was to study the properties of field-reversed configurations formed by ion rings. In order to reach this objective, our experimental program, called the Field-reversed Ion Ring Experiment, FIREX, undertook to develop an efficient, economical technology for the production of field-reversed ion rings. A field-reversed configuration (FRC) in which the azimuthal (field-reversing) current is carried by ions with gyro-radius comparable to the magnetic separatrix radius is called a field-reversed ion ring. A background plasma is required for charge neutralization of the ring, and this plasma will be confined within the ring's closed magnetic flux. Ion rings have long been of interest as the basis of compact magnetic fusion reactors, as the basis for a high-power accelerator for an inertial fusion driver, and for other applications of high power ion beams or plasmas of high energy density. Specifically, the FIREX program was intended to address the longstanding question of the contribution of large-orbit ions to the observed stability of experimental FRCs to the MHD tilt mode. Typical experimental FRCs with s {approx} 2-4, where s is the ratio of separatrix radius to ion gyro-radius, have been stable to tilting, but desired values for a fusion reactor, s > 20, should be unstable. The FIREX ring would consist of a plasma with large s for the background ions, but with s {approx} 1 for the ring ions. By varying the proportions of these two populations, the minimum proportion of large-orbit ions necessary for stability could be determined. The incorporation of large-orbit ions, perhaps by neutral-beam injection, into an FRC has been advanced for the purpose of stabilizing, heating, controlling angular momentum, and aiding the formation

  2. Influence of substituents of nickel(II) complexes of Schiff bases of substituted (S)-2-N-(benzylpropyl)aminobenzophenones and amino-acids on their asymmetric induction

    International Nuclear Information System (INIS)

    Nadvornik, M.; Lycka, A.; Gee, A.; Popkov, A.


    The aim of this work was to study of influence of substituents on benzophenone substituent on thermodynamic controlled induction of complexes as well as influence of substituents on benzyl group and on benzophenone on kinetically controlled asymmetric induction of complexes. [ 13 C]methyl iodide was used in the synthesis. Replace of benzyl group by 2,4,6-trimethylbenzyl group increase kinetically controlled asymmetric induction of synthesis of (S)-α-[ 13 C]methylalanine from 43% d.e. to 66% d.e

  3. A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones

    Directory of Open Access Journals (Sweden)



    Full Text Available Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano-2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain–Lupton F and R substituent constants.

  4. Regulation of substituent groups on morphologies and self-assembly of organogels based on some azobenzene imide derivatives (United States)

    Jiao, Tifeng; Wang, Yujin; Zhang, Qingrui; Zhou, Jingxin; Gao, Faming


    In this paper, new azobenzene imide derivatives with different substituent groups were designed and synthesized. Their gelation behaviors in 21 solvents were tested as novel low-molecular-mass organic gelators. It was shown that the alkyl substituent chains and headgroups of azobenzene residues in gelators played a crucial role in the gelation behavior of all compounds in various organic solvents. More alkyl chains in molecular skeletons in present gelators are favorable for the gelation of organic solvents. Scanning electron microscopy and atomic force microscopy observations revealed that the gelator molecules self-assemble into different aggregates, from wrinkle, lamella, and belt to fiber with the change of solvents. Spectral studies indicated that there existed different H-bond formations between amide groups and conformations of methyl chains. The present work may give some insight to the design and character of new organogelators and soft materials with special molecular structures.

  5. Treatment of Unstable Pelvic Ring Injuries. (United States)

    Kim, Weon-Yoo


    Pelvic fractures are classified according to the stability of the pelvic ring. Unlike stable pelvic fractures, which heal without complications, unstable fractures may lead to pelvic ring deformities, which cause severe complications. An orthopedic surgeon must determine the stability of the pelvic ring by radiography and physical examination of the patient in order to ensure early, prompt treatment. This article includes anatomy of the pelvic ring, classification of pelvic ring injuries, its treatment algorithm, and corresponding cases involving unstable pelvic ring injury.

  6. Distributively generated matrix near rings

    International Nuclear Information System (INIS)

    Abbasi, S.J.


    It is known that if R is a near ring with identity then (I,+) is abelian if (I + ,+) is abelian and (I,+) is abelian if (I*,+) is abelian [S.J. Abbasi, J.D.P. Meldrum, 1991]. This paper extends these results. We show that if R is a distributively generated near ring with identity then (I,+) is included in Z(R), the center of R, if (I + ,+) is included in Z(M n (R)), the center of matrix near ring M n (R). Furthermore (I,+) is included in Z(R) if (I*,+) is included in Z(M n (R)). (author). 5 refs

  7. Researches on the Piston Ring (United States)

    Ehihara, Keikiti


    In internal combustion engines, steam engines, air compressors, and so forth, the piston ring plays an important role. Especially, the recent development of Diesel engines which require a high compression pressure for their working, makes, nowadays, the packing action of the piston ring far more important than ever. Though a number of papers have been published in regard to researches on the problem of the piston ring, none has yet dealt with an exact measurement of pressure exerted on the cylinder wall at any given point of the ring. The only paper that can be traced on this subject so far is Mr. Nakagawa's report on the determination of the relative distribution of pressure on the cylinder wall, but the measuring method adopted therein appears to need further consideration. No exact idea has yet been obtained as to how the obturation of gas between the piston and cylinder, the frictional resistance of the piston, and the wear of the cylinder wall are affected by the intensity and the distribution of the radial pressure of the piston ring. Consequently, the author has endeavored, by employing an apparatus of his own invention, to get an exact determination of the pressure distribution of the piston ring. By means of a newly devised ring tester, to which piezoelectricity of quartz was applied, the distribution of the radial pressure of many sample rings on the market was accurately determined. Since many famous piston rings show very irregular pressure distribution, the author investigated and achieved a manufacturing process of the piston ring which will exert uniform pressure on the cylinder wall. Temperature effects on the configuration and on the mean spring power have also been studied. Further, the tests were performed to ascertain how the gas tightness of the piston ring may be affected by the number or spring power. The researches as to the frictional resistance between the piston ring and the cylinder wall were carried out, too. The procedure of study, and



    Vasantha, Kandasamy


    An associative ring is just realized or built using reals or complex; finite or infinite by defining two binary operations on it. But on the contrary when we want to define or study or even introduce a non-associative ring we need two separate algebraic structures say a commutative ring with 1 (or a field) together with a loop or a groupoid or a vector space or a linear algebra. The two non-associative well-known algebras viz. Lie algebras and Jordan algebras are mainly built using a vecto...

  9. Deceleration of electron rings by ions

    International Nuclear Information System (INIS)

    Schumacher, U.; Hofmann, I.; Merkel, P.; Reiser, M.


    The deceleration of intense relativistic electron rings by ions created by impact ionization in the electron rings is calculated analytically and numerically. It turns out that the stopping of rings with initial axial velocities of about β 0 = 0.1 is possible under conditions that easily can be realized experimentally in the Maryland ERA. The stopping length of the electron rings, however, depends sensitively on the initial axial ring velocities β 0 (as β 0 3 ). If the method of ring deceleration by ions is used, the reproducibility of the initial ring parameters (especially that of β 0 ) should be very good to get reliable electron ring loading and acceleration. (orig.) [de

  10. Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs. (United States)

    Neu, Rebecca C; Ouyang, Eva Y; Geier, Stephen J; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W


    The impact of substituent changes on phosphorus and boron-containing frustrated Lewis pairs (FLPs) has been examined. The phosphites (RO)(3)P R = Me, Ph form classical Lewis acid-base adducts of the formula (RO)(3)PB(C(6)F(5))(3) R = Me ; R = Ph , whereas P(O-2,4-(t)Bu(2)C(6)H(3))(3) and P(O-2,6-Me(2)C(6)H(3))(3) generate FLPs. Nonetheless, these latter combinations do not react with H(2). The more basic phosphinite tBu(2)POR, R = tBu reacts with B(C(6)F(5))(3) to give (tBu(2)(H)PO)B(C(6)F(5))(3). The related species tBu(2)POR, R = Ph ; 2,6-Me(2)C(6)H(3) showed no reaction with B(C(6)F(5))(3) but the FLPs react under H(2) (4 atm) to give [tBu(2)P(OR)H][HB(C(6)F(5))(3)] R = Ph and 2,6-Me(2)C(6)H(3). Similarly, tBu(2)PCl in combination with B(C(6)F(5))(3), generates an FLP that upon addition of H(2), gives [tBu(2)PH(2)][ClB(C(6)F(5))(3)] albeit in low yield. The diborane 1,4-(C(6)F(5))(2)B(C(6)F(4))B(C(6)F(5))(2) in combination with either tBu(3)P or (C(6)H(2)Me(3))(3)P generates FLPs that react with H(2) to give [R(3)PH](2)[1,4-(C(6)F(5))(2)HB(C(6)F(4))BH(C(6)F(5))(2)] (R = tBu , C(6)H(2)Me(3)). Similarly PhB(C(6)F(5))(2) and tBu(3)P react with H(2) giving [tBu(3)PH][HBPh(C(6)F(5))(2)] . The combination of B(OC(6)F(5))(3) and PtBu(3) also generate an FLP which reacts with H(2) to give [HPtBu(3)][B(OC(6)F(5))(4)] , the product of substituent redistribution. The boronic esters, (C(6)H(4)O(2))BC(6)F(5), (C(6)H(3)FO(2))BC(6)F(5) and (C(6)F(4)O(2))BC(6)F(5), and the borate esters B(OC(6)H(3)(CF(3))(2))(3), B(OC(6)H(2)F(3))(3) and B(OC(6)H(4)CF(3))(3) were prepared and shown to generate FLPs with tBu(3)P or (C(6)H(2)Me(3))(3)P. Nonetheless, no reaction with H(2) was observed for . Collectively these data suggest that there is a threshold of combined Lewis acidity and basicity that is required to effect the splitting of H(2).

  11. Reaction pathways and free energy profiles for spontaneous hydrolysis of urea and tetramethylurea: Unexpected substituent effects (United States)

    Yao, Min; Tu, Wenlong; Chen, Xi; Zhan, Chang-Guo


    It has been difficult to directly measure the spontaneous hydrolysis rate of urea and, thus, 1,1,3,3-tetramethylurea (Me4U) was used as a model to determine the “experimental” rate constant for urea hydrolysis. The use of Me4U was based on an assumption that the rate of urea hydrolysis should be 2.8 times that of Me4U hydrolysis because the rate of acetamide hydrolysis is 2.8 times that of N,N-dimethyl-acetamide hydrolysis. The present first-principles electronic-structure calculations on the competing non-enzymatic hydrolysis pathways have demonstrated that the dominant pathway is the neutral hydrolysis via the CN addition for both urea (when pHhydrolysis of amides where alkaline hydrolysis is dominant. Based on the computational data, the substituent shift of free energy barrier calculated for the neutral hydrolysis is remarkably different from that for the alkaline hydrolysis, and the rate constant for the urea hydrolysis should be ~1.3×109-fold lower than that (4.2×10−12 s−1) measured for the Me4U hydrolysis. As a result, the rate enhancement and catalytic proficiency of urease should be 1.2×1025 and 3×1027 M−1, respectively, suggesting that urease surpasses proteases and all other enzymes in its power to enhance the rate of reaction. All of the computational results are consistent with available experimental data for Me4U, suggesting that the computational prediction for urea is reliable. PMID:24097048

  12. Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

    Energy Technology Data Exchange (ETDEWEB)

    González, M.; Lemus-Santana, A.A. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Rodríguez-Hernández, J. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Instituto de Ciencia y Tecnología de Materiales, Universidad de La Habana, Havana (Cuba); Aguirre-Velez, C.I. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico); Knobel, M. [Institute of Physics “Gleb Wataghin”, UNICAMP, 13083-970 Campinas, SP (Brazil); Reguera, E., E-mail: [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Unidad Legaria, Instituto Politécnico Nacional, México, DF (Mexico)


    This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. These intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands π–π interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.

  13. The unique role of halogen substituents in the design of modern agrochemicals. (United States)

    Jeschke, Peter


    The past 30 years have witnessed a period of significant expansion in the use of halogenated compounds in the field of agrochemical research and development. The introduction of halogens into active ingredients has become an important concept in the quest for a modern agrochemical with optimal efficacy, environmental safety, user friendliness and economic viability. Outstanding progress has been made, especially in synthetic methods for particular halogen-substituted key intermediates that were previously prohibitively expensive. Interestingly, there has been a rise in the number of commercial products containing 'mixed' halogens, e.g. one or more fluorine, chlorine, bromine or iodine atoms in addition to one or more further halogen atoms. Extrapolation of the current trend indicates that a definite growth is to be expected in fluorine-substituted agrochemicals throughout the twenty-first century. A number of these recently developed agrochemical candidates containing halogen substituents represent novel classes of chemical compounds with new modes of action. However, the complex structure-activity relationships associated with biologically active molecules mean that the introduction of halogens can lead to either an increase or a decrease in the efficacy of a compound, depending on its changed mode of action, physicochemical properties, target interaction or metabolic susceptibility and transformation. In spite of modern design concepts, it is still difficult to predict the sites in a molecule at which halogen substitution will result in optimal desired effects. This review describes comprehensively the successful utilisation of halogens and their unique role in the design of modern agrochemicals, exemplified by various commercial products from Bayer CropScience coming from different agrochemical areas.

  14. Minimal Gromov-Witten rings

    International Nuclear Information System (INIS)

    Przyjalkowski, V V


    We construct an abstract theory of Gromov-Witten invariants of genus 0 for quantum minimal Fano varieties (a minimal class of varieties which is natural from the quantum cohomological viewpoint). Namely, we consider the minimal Gromov-Witten ring: a commutative algebra whose generators and relations are of the form used in the Gromov-Witten theory of Fano varieties (of unspecified dimension). The Gromov-Witten theory of any quantum minimal variety is a homomorphism from this ring to C. We prove an abstract reconstruction theorem which says that this ring is isomorphic to the free commutative ring generated by 'prime two-pointed invariants'. We also find solutions of the differential equation of type DN for a Fano variety of dimension N in terms of the generating series of one-pointed Gromov-Witten invariants

  15. Autumn study on storage rings

    CERN Multimedia


    The first two weeks of October have seen storage ring people from accelerator Laboratories throughout the world at CERN to study the fundamental problems of very high energy protonproton colliding beam machines.

  16. Quasi-isochronous storage rings

    International Nuclear Information System (INIS)

    Robin, D.; Forest, E.; Pellegrini, C.; Amiry, A.


    A study is made of the single-particle dynamics of an electron-positron storage ring where the phase-slip factor is made small in order to make the ring nearly isochronous and reduce the bunch length. What is found is that a quasi-isochronous ring makes it possible to obtain a bunch length in the millimeter range, about one order of magnitude shorter than present values. In this study we have extended the work of others on isochronous storage rings by quantitatively including higher-order terms in the longitudinal equations of motion. Scaling laws are then derived relating the linear term with the next-highest-order term. These scaling laws, which are derived from a two-dimensional Hamiltonian (one dimension of position and one of momentum), establish criteria for stability. These scaling laws are then checked with full six-dimensional tracking on one particular lattice

  17. ring i familien

    DEFF Research Database (Denmark)

    Kryger, Niels


    Artiklen diskutere de senere års eksplosionsagtig interesse for børns læring i familien, og sætter et kritisk lys på den snævre investeringslogik (læring skal give afkast i form af økonomisk produktivitet), der har ledsaget mange af de programmer, der er sat i gang for at fremme denne ”familielær......Artiklen diskutere de senere års eksplosionsagtig interesse for børns læring i familien, og sætter et kritisk lys på den snævre investeringslogik (læring skal give afkast i form af økonomisk produktivitet), der har ledsaget mange af de programmer, der er sat i gang for at fremme denne...

  18. Ring lasers - a brief history (United States)

    Klein, Tony


    Used these days in inertial navigation, ring lasers are also used in recording the tiniest variations in the Earth's spin, as well in detecting earthquakes and even the drift of continents. How did it all begin?

  19. Prototype moving-ring reactor

    International Nuclear Information System (INIS)

    Smith, A.C. Jr.; Ashworth, C.P.; Abreu, K.E.


    We have completed a design of the Prototype Moving-Ring Reactor. The fusion fuel is confined in current-carrying rings of magnetically-field-reversed plasma (Compact Toroids). The plasma rings, formed by a coaxial plasma gun, undergo adiabatic magnetic compression to ignition temperature while they are being injected into the reactor's burner section. The cylindrical burner chamber is divided into three burn stations. Separator coils and a slight axial guide field gradient are used to shuttle the ignited toroids rapidly from one burn station to the next, pausing for 1/3 of the total burn time at each station. D-T- 3 He ice pellets refuel the rings at a rate which maintains constant radiated power

  20. The Composition of Saturn's Rings (United States)

    Clark, R. N.; Cuzzi, J.; Filacchione, G.; Cruikshank, D. P.; Curchin, J. M.; Hoefen, T. M.; Nicholson, P. D.; Hedman, M.; Brown, R. H.; Buratti, B. J.; Baines, K. H.; Nelson, R. M.


    The Cassini spacecraft has obtained a unique collection of data about Saturn's rings, as it has observed the rings from 0 to 180 degrees in phase angle, and on both lit and unlit sides. Identification of trace contaminants, especially organic compounds, requires that spectra of the rings be uncontaminated by light from Saturn. The Cassini Visual and Infrared Mapping Spectrometer (VIMS) has acquired 0.35 to 5.1 micron, high spatial resolution spectroscopic data near the shadow of Saturn on the rings where scattered light is at a minimum. At low phase angles, the ring spectra show classic crystalline-ice spectral features except for a contaminant causing a UV absorption. VIMS spectra at 180-degree phase angle are generally flat, with only a weak positive feature at 2.86 microns in spectra of the F-ring. The general transmission decrease is due to large ring particles completely blocking light. The 2.86-micron feature indicates the presence of fine ice dust, where the ice's index of refraction is near 1.0, and light is not refracted or diffracted. There are no indications of interparticle scattering in the VIMS data at any phase angle. The lack of interparticle scattering indicates that the dense A and B rings must be very thin, approaching a monolayer, but rigorous constraints have yet to be modeled. Previous studies used tholins and amorphous carbon for the contaminant causing the UV absorption, but these models display additional absorptions and spectral structure in the near infrared not seen in VIMS data. Clark et al. (Icarus, v193, p372, 2008) modeled the changing blue peak and UV absorber observed on Phoebe, Iapetus, Hyperion, and Dione with amorphous carbon and nano-sized hematite. Nanohematite has muted spectral features compared to larger grained hematite, due to crystal field effects at the surfaces of small grains. Nanohematite has a strong UV absorber that matches the steep UV slope observed in spectra of Saturn's rings and has no strong IR absorptions

  1. Collector ring project at FAIR

    International Nuclear Information System (INIS)

    Dolinskii, A; Blell, U; Dimopoulou, C; Gorda, O; Leibrock, H; Litvinov, S; Laier, U; Schurig, I; Weinrich, U; Berkaev, D; Koop, I; Starostenko, A; Shatunov, P


    The collector ring is a dedicated ring for fast cooling of ions coming from separators at the FAIR project. To accommodate optimal technical solutions, a structure of a magnet lattice was recently reviewed and modified. Consequently, more appropriate technical solutions for the main magnets could be adopted. A general layout and design of the present machine is shown. The demanding extraction schemes have been detailed and open design issues were completed. (paper)

  2. Synlig læring

    DEFF Research Database (Denmark)

    Brandsen, Mads


    Introduktionen af John Hatties synlig læring i den danske skoleverden møder stadig meget kritik. Mange lærere og pædagoger oplever synlig læring som en tornado, der vil opsuge og ødelægge deres særlige danske udgave af den kontinentale dannelsestænkning, didaktik og pædagogik. Spørgsmålet er om...


    International Nuclear Information System (INIS)

    PARSA, Z.


    The concept of a muon storage ring based Neutrino Source (Neutrino Factory) has sparked considerable interest in the High Energy Physics community. Besides providing a first phase of a muon collider facility, it would generate more intense and well collimated neutrino beams than currently available. The BNL-AGS or some other proton driver would provide an intense proton beam that hits a target, produces pions that decay into muons. The muons must be cooled, accelerated and injected into a storage ring with a long straight section where they decay. The decays occurring in the straight sections of the ring would generate neutrino beams that could be directed to detectors located thousands of kilometers away, allowing studies of neutrino oscillations with precisions not currently accessible. For example, with the neutrino source at BNL, detectors at Soudan, Minnesota (1,715 km), and Gran Sasso, Italy (6,527 km) become very interesting possibilities. The feasibility of constructing and operating such a muon-storage-ring based Neutrino-Factory, including geotechnical questions related to building non-planar storage rings (e.g. at 8degree angle for BNL-Soudan, and 3degree angle for BNL-Gran Sasso) along with the design of the muon capture, cooling, acceleration, and storage ring for such a facility is being explored by the growing Neutrino Factory and Muon Collider Collaboration (NFMCC). The authors present overview of Neutrino Factory concept based on a muon storage ring, its components, physics opportunities, possible upgrade to a full muon collider, latest simulations of front-end, and a new bowtie-muon storage ring design

  4. Optofluidic ring resonator dye lasers (United States)

    Sun, Yuze; Suter, Jonathan D.; Fan, Xudong


    We overview the recent progress on optofluidic ring resonator (OFRR) dye lasers developed in our research group. The fluidics and laser cavity design can be divided into three categories: capillary optofluidic ring resonator (COFRR), integrated cylindrical optofluidic ring resonator (ICOFRR), and coupled optofluidic ring resonator (CpOFRR). The COFRR dye laser is based on a micro-sized glass capillary with a wall thickness of a few micrometers. The capillary circular cross-section forms the ring resonator and supports the whispering gallery modes (WGMs) that interact evanescently with the gain medium in the core. The laser cavity structure is versatile to adapt to the gain medium of any refractive index. Owing to the high Q-factor (>109), the lasing threshold of 25 nJ/mm2 is achieved. Besides directly pump the dye molecules, lasing through fluorescence resonance energy transfer (FRET) between the donor and acceptor dye molecules is also studied in COFRR laser. The energy transfer process can be further controlled by designed DNA scaffold labeled with donor/acceptor molecules. The ICOFRR dye laser is based on a cylindrical ring resonator fused onto the inner surface of a thick walled glass capillary. The structure has robust mechanical strength to sustain rapid gain medium circulation. The CpOFRR utilizes a cylindrical ring resonator fused on the inner surface of the COFRR capillary. Since the capillary wall is thin, the individual WGMs of the cylindrical ring resonator and the COFRR couples strongly and forms Vernier effect, which provides a way to generate a single mode dye laser.

  5. Resonance capture and Saturn's rings

    International Nuclear Information System (INIS)

    Patterson, C.W.


    We have assigned the resonances apparently responsible for the stabilization of the Saturn's shepherd satellites and for the substructure seen in the F-ring and the ringlets in the C-ring. We show that Saturn's narrow ringlets have a substructure determined by three-body resonances with Saturn's ringmoons and the sun. We believe such resonances have important implications to satellite formation. 17 refs., 1 fig., 1 tab

  6. Ring insertions as light sources

    International Nuclear Information System (INIS)

    Green, G.K.


    Bending magnets can be inserted in the long straight sections of electron storage rings to produce synchrotron radiation. If the design is carefully proportioned, the bending magnets create only a small perturbation of the properties of the ring. The resulting spectra have favorable optical properties as sources for spectroscopy and diffraction studies. The characteristics of the source are discussed, and the geometrical requirements of the magnets are presented

  7. Commuting Π-regular rings

    Directory of Open Access Journals (Sweden)

    Shervin Sahebi


    Full Text Available ‎$R$ is called commuting regular ring (resp‎. ‎semigroupif‎ for each $x,y\\in R$ there exists $a\\in R$‎ such that$xy=yxayx$‎. ‎In this paper‎, ‎we introduce the concept of‎‎commuting $\\pi$-regular rings (resp‎. ‎semigroups and‎‎study various properties of them.

  8. The Circular RFQ Storage Ring

    International Nuclear Information System (INIS)

    Ruggiero, A. G.


    This paper presents a novel idea of storage ring for the accumulation of intense beams of light and heavy ions at low energy. The new concept is a natural development of the combined features of conventional storage rings and ion traps, and is basically a linear RFQ bent on itself. The advantages are: smaller beam dimensions, higher beam intensity, and a more compact storage device

  9. Standard Fibre Optic Ring LANs (United States)

    Beale, N. C. L.


    The paper begins with a reminder of the particular need for standards in LANs. We then describe the requirements of High Integrity LANs. Current developments in LAN standards are then outlined. It is argued that the requirements of industrial LANs lead ideally to reconfiguring fibre optic rings, for which there are two major emerging standards. These two (IEEE 802.5 and ANSI FDDI) and the Cambridge Ring are discussed and compared. One implementation - the HILAN is discussed.

  10. Effect of bulky substituents on thiopyrylium polymethine aggregation in the solid state: A theoretical evaluation of the implications for all-optical switching applications

    KAUST Repository

    Gieseking, Rebecca L.


    Polymethine dyes in dilute solutions display many of the optical properties required for all-optical switching applications. However, in thin films, aggregation and polymethine-counterion interactions can substantially modify their properties and limit their utility. Here, we examine the impact of a series of bulky substituents on the solid-state molecular packing of thiopyrylium polymethines by using a theoretical approach combining molecular-dynamics simulations and quantum-chemical calculations. Importantly, it is found that the positions of the substituents near the center and/or ends of the dye determine the extent to which aggregation is reduced; in particular, substituents near the polymethine center primarily modify the type of aggregation that is observed, while substituents near the polymethine ends reduce aggregation and aid in maintaining solution-like properties in the solid state. Our theoretical study elucidates relationships between molecular structure and bulk optical properties and provides design guidelines for all-optical switching materials.

  11. Of Rings and Volcanoes (United States)


    Office National d'Etudes et de Recherches Aérospatiales (ONERA) , Laboratoire d'Astrophysique de Grenoble (LAOG) and the DESPA and DASGAL laboratories of the Observatoire de Paris in France, in collaboration with ESO. The CONICA infra-red camera was built, under an ESO contract, by the Max-Planck-Institut für Astronomie (MPIA) (Heidelberg) and the Max-Planck Institut für Extraterrestrische Physik (MPE) (Garching) in Germany, in collaboration with ESO. Saturn - Lord of the rings ESO PR Photo 04a/02 ESO PR Photo 04a/02 [Preview - JPEG: 460 x 400 pix - 54k] [Normal - JPEG: 1034 x 800 pix - 200k] Caption : PR Photo 04a/02 shows the giant planet Saturn, as observed with the VLT NAOS-CONICA Adaptive Optics instrument on December 8, 2001; the distance was 1209 million km. It is a composite of exposures in two near-infrared wavebands (H and K) and displays well the intricate, banded structure of the planetary atmosphere and the rings. Note also the dark spot at the south pole at the bottom of the image. One of the moons, Tethys, is visible as a small point of light below the planet. It was used to guide the telescope and to perform the adaptive optics "refocussing" for this observation. More details in the text. Technical information about this photo is available below. This NAOS/CONICA image of Saturn ( PR Photo 04a/02 ), the second-largest planet in the solar system, was obtained at a time when Saturn was close to summer solstice in the southern hemisphere. At this moment, the tilt of the rings was about as large as it can be, allowing the best possible view of the planet's South Pole. That area was on Saturn's night side in 1982 and could therefore not be photographed during the Voyager encounter. The dark spot close to the South Pole is a remarkable structure that measures approximately 300 km across. It was only recently observed in visible light from the ground with a telescope at the Pic du Midi Observatory in the Pyrenees (France) - this is the first infrared image to

  12. Synthesis and Biological Evaluation of Novel Benzimidazole Derivatives Bearing a Heterocyclic Ring at 4/5 Position

    Energy Technology Data Exchange (ETDEWEB)

    Wubulikasimu, Reyila; Yang, Yanbing; Xue, Fei; Luo, Xianjin; Shao, Dongping [Shanghai Jiaotong Univ., Shanghai (China); Li, Yuhuan; Gao, Rongmei [Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing (China); Ye, Weidong [Zhejiang Medicine Co. Ltd., Zhejiang (China)


    A series of novel benzimidazole derivatives bearing a heterocyclic ring as oxadiazole (21-32), thiadiazole (33-34), triazole (35-36) were synthesized and evaluated for their activities against Coxsackie virus B3 and B6 in Vero cells. Compounds 21-26, 31-36 with moieties of 2'-pyridyl, 3'-pyridyl and 4'-pyridyl at the 2-position and oxadiazoles, thiadiazole, or triazole substituent at the 4- or 5-position generally displayed activities against CVB3 and CVB6. Especially compound 24 (IC{sub 50} = 1.08 μg/mL, SI = 61.7 against CVB3) was the promising candidate as lead compound for anti-enteroviral drug. It was observed in the incorporation of heterocyclic rings in benzimidazole at the 5-position could enhance their biological activities.

  13. The unexpected influence of aryl substituents in N-aryl-3-oxobutanamides on the behavior of their multicomponent reactions with 5-amino-3-methylisoxazole and salicylaldehyde

    Directory of Open Access Journals (Sweden)

    Volodymyr V. Tkachenko


    Full Text Available The switchable three-component reactions of 5-amino-3-methylisoxazole, salicylaldehyde and N-aryl-3-oxobutanamides under different conditions were studied and discussed. The unexpected influence of the aryl substituent in N-aryl-3-oxobutanamides on the behavior of the reaction was discovered. The key influence of ultrasonication and Lewis acid catalysts led to an established protocol to selectively obtain two or three types of heterocyclic scaffolds depending on the substituent in the N-aryl moiety.

  14. Synthesis and Optical Properties of Trioxatriangulenium Dyes with One and Two Peripheral Amino Substituents

    DEFF Research Database (Denmark)

    Sørensen, Thomas Just; Laursen, Bo Wegge


    -substituted triphenylmethylium (TPM) compounds by aromatic nucleophilic substitution with secondary amines and subsequent intramolecular ring closure. The optical properties of the new triangulenium dyes and their TPM precursors were investigated and compared to those of known TPM and xanthenium dyes. The optical properties...... were found to be dependent on symmetry and charge localization in the conjugated framework. The trioxatriangulenium dye with two amino groups (A2-TOTA+) was found to be a strong fluorophore with properties as a blue-shifted rhodamine B. The mono-substituted compound (A1-TOTA+) was found to be only...

  15. Rhythmic ring-ring stacking drives the circadian oscillator clockwise. (United States)

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy


    The oscillator of the circadian clock of cyanobacteria is composed of three proteins, KaiA, KaiB, and KaiC, which together generate a self-sustained ∼24-h rhythm of phosphorylation of KaiC. The mechanism propelling this oscillator has remained elusive, however. We show that stacking interactions between the CI and CII rings of KaiC drive the transition from the phosphorylation-specific KaiC-KaiA interaction to the dephosphorylation-specific KaiC-KaiB interaction. We have identified the KaiB-binding site, which is on the CI domain. This site is hidden when CI domains are associated as a hexameric ring. However, stacking of the CI and CII rings exposes the KaiB-binding site. Because the clock output protein SasA also binds to CI and competes with KaiB for binding, ring stacking likely regulates clock output. We demonstrate that ADP can expose the KaiB-binding site in the absence of ring stacking, providing an explanation for how it can reset the clock.

  16. Accretion in Saturn's F Ring (United States)

    Meinke, B. K.; Esposito, L. W.; Stewart, G.


    Saturn's F ring is the solar system's principal natural laboratory for direct observation of accretion and disruption processes. The ring resides in the Roche zone, where tidal disruption competes with self-gravity, which allows us to observe the lifecycle of moonlets. Just as nearby moons create structure at the B ring edge (Esposito et al. 2012) and the Keeler gap (Murray 2007), the F ring "shepherding" moons Prometheus and Pandora stir up ring material and create observably changing structures on timescales of days to decades. In fact, Beurle et al (2010) show that Prometheus makes it possible for "distended, yet gravitationally coherent clumps" to form in the F ring, and Barbara and Esposito (2002) predicted a population of ~1 km bodies in the ring. In addition to the observations over the last three decades, the Cassini Ultraviolet Imaging Spectrograph (UVIS) has detected 27 statistically significant features in 101 occultations by Saturn's F ring since July 2004. Seventeen of those 27 features are associated with clumps of ring material. Two features are opaque in occultation, which makes them candidates for solid objects, which we refer to as Moonlets. The 15 other features partially block stellar signal for 22 m to just over 3.7 km along the radial expanse of the occultation. Upon visual inspection of the occultation profile, these features resemble Icicles, thus we will refer to them as such here. The density enhancements responsible for such signal attenuations are likely due to transient clumping of material, evidence that aggregations of material are ubiquitous in the F ring. Our lengthy observing campaign reveals that Icicles are likely transient clumps, while Moonlets are possible solid objects. Optical depth is an indicator of clumping because more-densely aggregated material blocks more light; therefore, it is natural to imagine moonlets as later evolutionary stage of icicle, when looser clumps of material compact to form a feature that appears

  17. Double acting stirling engine piston ring (United States)

    Howarth, Roy B.


    A piston ring design for a Stirling engine wherein the contact pressure between the piston and the cylinder is maintained at a uniform level, independent of engine conditions through a balancing of the pressure exerted upon the ring's surface and thereby allowing the contact pressure on the ring to be predetermined through the use of a preloaded expander ring.

  18. Manipulation of vortex rings for flow control

    International Nuclear Information System (INIS)

    Toyoda, Kuniaki; Hiramoto, Riho


    This paper reviews the dynamics of vortex rings and the control of flow by the manipulation of vortex rings. Vortex rings play key roles in many flows; hence, the understanding of the dynamics of vortex rings is crucial for scientists and engineers dealing with flow phenomena. We describe the structures and motions of vortex rings in circular and noncircular jets, which are typical examples of flows evolving into vortex rings. For circular jets the mechanism of evolving, merging and breakdown of vortex rings is described, and for noncircular jets the dynamics of three-dimensional deformation and interaction of noncircular vortex rings under the effect of self- and mutual induction is discussed. The application of vortex-ring manipulation to the control of various flows is reviewed with successful examples, based on the relationship between the vortex ring dynamics and the flow properties. (invited paper)

  19. Structure and dynamics of ringed galaxies

    International Nuclear Information System (INIS)

    Buta, R.J.


    In many spiral and SO galaxies, single or multiple ring structures are visible in the disk. These inner rings (r), outer rings (R), and nuclear rings (nr) were investigated by means of morphology, photometry, and spectroscopy in order to provide basic data on a long neglected phenomenon. The metric properties of each ring are investigated and found to correlate with the structure of the parent galaxy. When properly calibrated, inner rings in barred (SB) systems can be used as geometric extragalactic distance indicators to distances in excess of 100 Mpc. Other statistics are presented that confirm previous indications that the rings have preferred shapes, relative sizes, and orientations with respect to bars. A survey is made of the less homogeneous non-barred (SA) ringed systems, and the causes of the inhomogeneity are isolated. It is shown that rings can be identified in multiple-ring SA systems that are exactly analogous to those in barred spirals

  20. Metal Free Azide-Alkyne Click Reaction: Role of Substituents and Heavy Atom Tunneling. (United States)

    Karmakar, Sharmistha; Datta, Ayan


    Metal free click reactions provide an excellent noninvasive tool to modify and understand the processes in biological systems. Release of ring strain in cyclooctynes on reaction with azides on the formation of triazoles results in small activation energies for various intermolecular Huisgen reactions (1-9). Substitution of difluoro groups at the α, α' position of the cyclooctyne ring enhances the rates of cycloadditions by 10 and 20 times for methyl azide and benzyl azide respectively at room temperature. The computed rate enhancement on difluoro substitution using direct dynamical calculations using the canonical variational transition state theory (CVT/CAG) with small curvature tunneling (SCT) corrections are in excellent agreement with the experimental results. For the intramolecular click reaction (10) notwithstanding its much higher activation energy, quantum mechanical tunneling (QMT) enhances the rate of cycloaddition significantly and increases the N(14)/N(15) primary kinetic isotope effect at 298 K. QMT is shown to be rather efficient in 10 due to a thin barrier of ∼2.4 Å. The present study shows that tunneling effects can be significant for intramolecular click reactions.

  1. Photophysical Characterization and BSA Interaction of Direct Ring Carboxy Functionalized Symmetrical squaraine Dyes (United States)

    Saikiran, Maryala; Pandey, Shyam S.; Hayase, Shuzi; Kato, Tamaki


    A series of far-red sensitive symmetrical squaraine dyes bearing direct –COOH functionalized indole ring were synthesized, characterized and subjected to photophysical investigations. These symmetrical squaraine dyes were then subjected to investigate their interaction with bovine serum albumin (BSA) in Phosphate buffer solutions. All the squaraine dyes under investigation exhibit intense and sharp optical absorption mainly in the far-red wavelength region from 550 nm -700 nm having very high molar extinction coefficients from 1.3 × 105 dm3.mol‑‑1. A very small Stokes shift of 10-17 nm indicates the rigid conformational structure of squaraine chromophore. Interaction of these dyes with BSA leads to not only enhanced emission intensity but also bathochromically shifted absorption maximum due to formation of dye-BSA conjugate. These dyes bind strongly with BSA having about an order of magnitude higher binding constant as compared to the reported squaraine dyes. Amongst the symmetrical squaraine dyes investigated in this work one bearing substituents like trifluorobutyl as alkyl chain at N-position of indole ring and carboxylic acid on benzene ring at the terminal (SQ-26) exhibited highest association with the BSA having very high binding constant 8.01 × 106 M‑1.

  2. Treatment of Unstable Pelvic Ring Injuries


    Kim, Weon-Yoo


    Pelvic fractures are classified according to the stability of the pelvic ring. Unlike stable pelvic fractures, which heal without complications, unstable fractures may lead to pelvic ring deformities, which cause severe complications. An orthopedic surgeon must determine the stability of the pelvic ring by radiography and physical examination of the patient in order to ensure early, prompt treatment. This article includes anatomy of the pelvic ring, classification of pelvic ring injuries, its...

  3. Ring wormholes via duality rotations

    Directory of Open Access Journals (Sweden)

    Gary W. Gibbons


    Full Text Available We apply duality rotations and complex transformations to the Schwarzschild metric to obtain wormhole geometries with two asymptotically flat regions connected by a throat. In the simplest case these are the well-known wormholes supported by phantom scalar field. Further duality rotations remove the scalar field to yield less well known vacuum metrics of the oblate Zipoy–Voorhees–Weyl class, which describe ring wormholes. The ring encircles the wormhole throat and can have any radius, whereas its tension is always negative and should be less than −c4/4G. If the tension reaches the maximal value, the geometry becomes exactly flat, but the topology remains non-trivial and corresponds to two copies of Minkowski space glued together along the disk encircled by the ring. The geodesics are straight lines, and those which traverse the ring get to the other universe. The ring therefore literally produces a hole in space. Such wormholes could perhaps be created by negative energies concentrated in toroidal volumes, for example by vacuum fluctuations.

  4. Dream of Isochronous Ring Again

    CERN Document Server

    Hama, H


    More than 20 years ago, D.A.G. Deacon proposed an isochronous storage ring for FEL to avoid bunch heating and decreasing instantaneous gain [1]. Some of low momentum compaction (alpha) operations have been carried out, and recently coherent infrared radiation are observed on a 3rd generation light source. Because the 3rd generation rings are optimized to obtain very low emittance beam, the dispersion function in the arc sections are much reduced by introducing large bending radius, so that those are very big machines. Meanwhile N.A. Vinokurov et al. recently proposed a ring type SASE FEL based on a complete isochronous bending transport [2]. At least, experimental and theoretical study of the isochronous ring so far suggests nonlinear effects resulted from higher order dispersion and chromaticity declines the "complete" isochronous system. On the other hand, in a wavelength region of THz, tolerance of the path length along a turn of the ring seems to be within our reach. A concept to preserve of a form factor...

  5. Primitivity and weak distributivity in near rings and matrix near rings

    International Nuclear Information System (INIS)

    Abbasi, S.J.


    This paper shows the structure of matrix near ring constructed over a weakly distributive and primative near ring. It is proved that a weakly distributive primitive near ring is a ring and the matrix near rings constructed over it is also a bag. (author). 14 refs

  6. Proton storage ring summer workshop

    International Nuclear Information System (INIS)

    Lawrence, G.P.; Cooper, R.K.


    During the week of August 16, 1976 a Workshop was held at the Los Alamos Scientific Laboratory (LASL) on the Proton Storage Ring (PSR) for the Weapons Neutron Research Facility (WNRF). Written contributions were solicited from each of the participants in the Workshop, and the contributions that were received are presented. The papers do not represent polished or necessarily complete work, but rather represent ''first cuts'' at their respective areas. Topics covered include: (1) background information on the storage ring; (2) WNRF design; (3) rf transient during filling; (4) rf capture; (5) beam bunch compression; (6) transverse space charge limits; (7) transverse resistive instability in the PSR; (8) longitudinal resistive instability; (9) synchrotron frequency splitting; (10) E Quintus Unum--off resonance; (11) first harmonic bunching in the storage ring; (12) kicker considerations; (13) beam extraction; (14) ferrite kicker magnets; and (15) E Quintus Unum: a possible ejection scheme

  7. Structure-kinetic relationship studies of cannabinoid CB2receptor agonists reveal substituent-specific lipophilic effects on residence time. (United States)

    Soethoudt, Marjolein; Hoorens, Mark W H; Doelman, Ward; Martella, Andrea; van der Stelt, Mario; Heitman, Laura H


    A decade ago, the drug-target residence time model has been (re-)introduced, which describes the importance of binding kinetics of ligands on their protein targets. Since then, it has been applied successfully for multiple protein targets, including GPCRs, for the development of lead compounds with slow dissociation kinetics (i.e. long target residence time) to increase in vivo efficacy or with short residence time to prevent on-target associated side effects. To date, this model has not been applied in the design and pharmacological evaluation of novel selective ligands for the cannabinoid CB 2 receptor (CB 2 R), a GPCR with therapeutic potential in the treatment of tissue injury and inflammatory diseases. Here, we have investigated the relationships between physicochemical properties, binding kinetics and functional activity in two different signal transduction pathways, G protein activation and β-arrestin recruitment. We synthesized 24 analogues of 3-cyclopropyl-1-(4-(6-((1,1-dioxidothiomorpholino)methyl)-5-fluoropyridin-2-yl)benzyl)imidazoleidine-2,4-dione (LEI101), our previously reported in vivo active and CB 2 R-selective agonist, with varying basicity and lipophilicity. We identified a positive correlation between target residence time and functional potency due to an increase in lipophilicity on the alkyl substituents, which was not the case for the amine substituents. Basicity of the agonists did not show a relationship with affinity, residence time or functional activity. Our findings provide important insights about the effects of physicochemical properties of the specific substituents of this scaffold on the binding kinetics of agonists and their CB 2 R pharmacology. This work therefore shows how CB 2 R agonists can be designed to have optimal kinetic profiles, which could aid the lead optimization process in drug discovery for the study or treatment of inflammatory diseases. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights

  8. Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes. (United States)

    Johnson, Charles A; Hudson, Graham A; Hardebeck, Laura K E; Jolley, Elizabeth A; Ren, Yi; Lewis, Michael; Znosko, Brent M


    DNA intercalators are commonly used as anti-cancer and anti-tumor agents. As a result, it is imperative to understand how changes in intercalator structure affect binding affinity to DNA. Amonafide and mitonafide, two naphthalimide derivatives that are active against HeLa and KB cells in vitro, were previously shown to intercalate into DNA. Here, a systematic study was undertaken to change the 3-substituent on the aromatic intercalator 1,8-naphthalimide to determine how 11 different functional groups with a variety of physical and electronic properties affect binding of the naphthalimide to DNA and RNA duplexes of different sequence compositions and lengths. Wavelength scans, NMR titrations, and circular dichroism were used to investigate the binding mode of 1,8-naphthalimide derivatives to short synthetic DNA. Optical melting experiments were used to measure the change in melting temperature of the DNA and RNA duplexes due to intercalation, which ranged from 0 to 19.4°C. Thermal stabilities were affected by changing the substituent, and several patterns and idiosyncrasies were identified. By systematically varying the 3-substituent, the binding strength of the same derivative to various DNA and RNA duplexes was compared. The binding strength of different derivatives to the same DNA and RNA sequences was also compared. The results of these comparisons shed light on the complexities of site specificity and binding strength in DNA-intercalator complexes. For example, the consequences of adding a 5'-TpG-3' or 5'-GpT-3' step to a duplex is dependent on the sequence composition of the duplex. When added to a poly-AT duplex, naphthalimide binding was enhanced by 5.6-11.5°C, but when added to a poly-GC duplex, naphthalimide binding was diminished by 3.2-6.9°C. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Adiabatic compression of ion rings

    International Nuclear Information System (INIS)

    Larrabee, D.A.; Lovelace, R.V.


    A study has been made of the compression of collisionless ion rings in an increasing external magnetic field, B/sub e/ = zB/sub e/(t), by numerically implementing a previously developed kinetic theory of ring compression. The theory is general in that there is no limitation on the ring geometry or the compression ratio, lambdaequivalentB/sub e/ (final)/B/sub e/ (initial)> or =1. However, the motion of a single particle in an equilibrium is assumed to be completely characterized by its energy H and canonical angular momentum P/sub theta/ with the absence of a third constant of the motion. The present computational work assumes that plasma currents are negligible, as is appropriate for a low-temperature collisional plasma. For a variety of initial ring geometries and initial distribution functions (having a single value of P/sub theta/), it is found that the parameters for ''fat'', small aspect ratio rings follow general scaling laws over a large range of compression ratios, 1 3 : The ring radius varies as lambda/sup -1/2/; the average single particle energy as lambda/sup 0.72/; the root mean square energy spread as lambda/sup 1.1/; and the total current as lambda/sup 0.79/. The field reversal parameter is found to saturate at values typically between 2 and 3. For large compression ratios the current density is found to ''hollow out''. This hollowing tends to improve the interchange stability of an embedded low β plasma. The implications of these scaling laws for fusion reactor systems are discussed

  10. Tree rings and radiocarbon calibration

    International Nuclear Information System (INIS)

    Barbetti, M.


    Only a few kinds of trees in Australia and Southeast Asia are known to have growth rings that are both distinct and annual. Those that do are therefore extremely important to climatic and isotope studies. In western Tasmania, extensive work with Huon pine (Lagarostrobos franklinii) has shown that many living trees are more than 1,000 years old, and that their ring widths are sensitive to temperature, rainfall and cloud cover (Buckley et al. 1997). At the Stanley River there is a forest of living (and recently felled) trees which we have sampled and measured. There are also thousands of subfossil Huon pine logs, buried at depths less than 5 metres in an area of floodplain extending over a distance of more than a kilometre with a width of tens of metres. Some of these logs have been buried for 50,000 years or more, but most of them belong to the period between 15,000 years and the present. In previous expeditions in the 1980s and 1990s, we excavated and sampled about 350 logs (Barbetti et al. 1995; Nanson et al. 1995). By measuring the ring-width patterns, and matching them between logs and living trees, we have constructed a tree-ring dated chronology from 571 BC to AD 1992. We have also built a 4254-ring floating chronology (placed by radiocarbon at ca. 3580 to 7830 years ago), and an earlier 1268-ring chronology (ca. 7,580 to 8,850 years ago). There are many individuals, or pairs of logs which match and together span several centuries, at 9,000 years ago and beyond

  11. Study on effect of substituents in α positron of N,N-diethylamides by nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Martins, M.A.P.


    The effect of a substituent in the α position of some N,N-diethylamides, through the 1 H and 13 C n.m.r. spectroscopy is studied. Eight N,N-diethylamides having the structure: Y-CH 2 -C(O) - NEt 2 , where Y=H, Me, Cl, Br, I, OMe, SMe, and NMe 2 were prepared by usual procedures; all these compounds were characterized by their 1 H and 13 C n.m.r. and infrared spectra, as well as by their elementary analysis. (M.J.C.) [pt

  12. peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase.


    Delley RJ; Bandyopadhyay S; Fox MA; Schliehe C; Hodgson DR; Hollfelder F; Kirby AJ; O'Donoghue AC.


    The rate constants for exchange of hydrogen for deuterium at the α-CH2 positions of 8-(N,N-dimethylaminonaphthalen-1-yl)acetic acid tert-butyl ester 1 and naphthalen-1-ylacetic acid tert-butyl ester 2 have been determined in potassium deuteroxide solutions in 1 : 1 D2O : CD3CN, in order to quantify the effect of the neighbouring peri-dimethylamino substituent on α-deprotonation. Intramolecular general base catalysis by the (weakly basic) neighbouring group was not detected. Second-order rate ...

  13. Superconducting proton ring for PETRA

    International Nuclear Information System (INIS)

    Baynham, E.


    A powerful new facility for colliding beam physics could be provided by adding a proton storage ring in the range of several hundred GeV to the electron-positron storage ring PETRA at DESY. This can be achieved in an economic way utilizing the PETRA tunnel and taking advantage of the higher magnetic fields of superconducting magnets which would be placed above or below the PETRA magnets. A central field of 4 Tesla in the bending magnets corresponds to a proton energy of 225 GeV. (orig.)

  14. The Effect of the Aminic Substituent on the Thermal Decomposition of Cyclic Dithiocarbamates

    Directory of Open Access Journals (Sweden)

    Cavalheiro Éder T.G.


    Full Text Available Thermogravimetric and Differential Scanning Calorimetric investigation of the thermal behaviour of NH4+, Na+, Zn2+, Cd2+ e Pb2+ dithiocarbamates obtained from cyclic amines, is described under nitrogen and air atmospheres in order to investigate the effect of a cyclic ring on the mechanism of decomposition. Intermediates were identified by X-ray Diffraction analysis. Zn2+, Cd2+ e Pb2+ oxysulphates were detected under air atmosphere suggesting the thermal decomposition under these conditions as an alternating synthetic route to prepare those compounds. The final decomposition products were the metallic sulphides under N2 atmosphere while transition metal oxides and sodium sulphate were obtained under air. Melting enthalpies are also reported from DSC data.

  15. Structure-activity relationships of estrogen derivatives as aromatase inhibitors. Effects of heterocyclic substituents. (United States)

    Numazawa, Mitsuteru; Komatsu, Sachiko; Tominaga, Takako; Yamashita, Kouwa


    Aromatase, which is responsible for the conversion of androgens to estrogens, is a potential therapeutic target for the selective lowering estrogen level in patients with estrogen-dependent breast cancer. We prepared and tested series of the pyridine- and other heterocyclic ring-containing derivatives of 2- and 4-aminoestrones, estrone, and estradiol, compounds 5, 10, 12 and 15. The isonicotinyl derivatives of 2- and 4-aminoestrone, compounds 5c and 10c, were fairly potent competitive inhibitors of aromatase (K(i), 2.1+/-0.14 and 1.53+/-0.08 microM for 5c and 10c, respectively) and other compounds did not show, to a significant extent, the aromatase inhibitory activity. This result suggests that the isonicotinyl-substituted derivatives 5c and 10c would be accessible to the active site of aromatase.

  16. Surface interactions of s-triazine-type pesticides. An electrochemical impedance study

    Czech Academy of Sciences Publication Activity Database

    Hromadová, Magdaléna; Sokolová, Romana; Pospíšil, Lubomír; Fanelli, N.


    Roč. 110, č. 10 (2006), s. 4869-4874 ISSN 1520-6106 R&D Projects: GA ČR GA203/03/0821; GA AV ČR IAA400400505; GA MŠk LC510 Institutional research plan: CEZ:AV0Z40400503 Keywords : mercury solution interface * electrodes * adsorption * condenzation * nucleation Subject RIV: CG - Electrochemistry Impact factor: 4.115, year: 2006

  17. Metabolism of s-triazine herbicides in tea and citrus plants

    International Nuclear Information System (INIS)

    Kakhniashvili, Kh.A.; Durmishidze, S.V.; Gigauri, M.Sh.


    The authors studied processes involved in assimilation, transport, and conversion of 14 C-atrazine and 14 C-simazine in plants of tea (Thea sinensis L.), lemon (Citrus limon Burm.), and orange (Citrus sinensis Osbeck). The main products of metabolism of the investigated herbicides in different organs of the indicated plants are isolated and identified. It is established that conjugates of hydroxytriazined with peptides and proteins accumulate in the plant cell. A new pathway of atrazine metabolism is clarified in the work, the indicated pathway involving two-component conjugates with peptides and glucose. The authors discuss the role played by oxidative conversions in detoxication of atrazine and simazine in the investigated plants, and identify the end products of oxidation

  18. Enhanced s-triazine Degradation and Sugar Cane Weed Control Options (United States)

    Soil borne bacteria on all continents except Antarctica have developed the ability to rapidly degrade the herbicide atrazine. Reduced residual weed control with atrazine in soils exhibiting enhanced degradation was confirmed under Mississippi Delta corn production and is expected to be occurring in...

  19. INVITED TALK: Dynamics Of Planetary Rings (United States)

    Tiscareno, Matthew S.


    Planetary rings are the only nearby astrophysical disks, and the only disks that have been investigated by spacecraft (especially the Cassini spacecraft orbiting Saturn). Although there are significant differences between rings and other disks, chiefly the large planet/ring mass ratio that greatly enhances the flatness of rings (aspect ratios as small as 1e-7), understanding of disks in general can be enhanced by understanding the dynamical processes observed at close-range and in real-time in planetary rings. We will review the known ring systems of the four giant planets, as well as the prospects for ring systems yet to be discovered. We will then review planetary rings by type. The A, B, and C rings of Saturn, plus the Cassini Division, comprise our solar system's only dense broad disk and host many phenomena of general application to disks including spiral waves, gap formation, self-gravity wakes, viscous overstability and normal modes, impact clouds, and orbital evolution of embedded moons. Dense narrow rings are found both at Uranus (where they comprise the main rings entirely) and at Saturn (where they are embedded in the broad disk), and are the primary natural laboratory for understanding shepherding and self-stability. Narrow dusty rings, likely generated by embedded source bodies, are surprisingly found to sport azimuthally-confined arcs both at Saturn, Jupiter, and Neptune. Finally, every known ring system includes a substantial component of diffuse dusty rings.

  20. Effect of the substituents on the photophysical, electrochemical and electroluminescence properties of OLED dopant Iridium bis(2-phenylbenzothiozolato- N,C2')(acetylacetonate)

    International Nuclear Information System (INIS)

    Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" data-affiliation=" (Institute of Optical Materials and Technologies Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" >Ivanov, P; Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" data-affiliation=" (Institute of Optical Materials and Technologies Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" >Tomova, R; Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" data-affiliation=" (Institute of Optical Materials and Technologies Acad. J. Malinowski, Bulgarian Academy of Sciences, Acad. G. Bonchev str. bl. 109, 1113 Sofia, BG (Bulgaria))" >Petrova, P


    The effect of two substituents: clorine and 1,3-diphenylpropane-1,3-dionate, placed on different position in the molecule of Iridium (III) bis(2-phenylbenzothiozolato-N,C2')- (acetylacetonate) (bt)2Ir(acac), on its electrochemical behaviour, photophysical and electroluminescence properties were investigated. Three complexes (bt)2Ir(acac), Iridium (III) bis[2-(4-chlorophenyl)benzothiazolato-N,C2']-acetylacetonate (Clbt)2Ir(acac), in which the Cl atom was introduced on the 4-position in the benzothiazole ring, and the new Iridium (Ill) bis[2 -phenylbenzothiazolato -N,C2'] -(1,3 -diphenylpropane-1,3 -dionate) (bt)2Ir(dbm), where ancillary acetylacetonate ligand was replaced by 1,3-diphenylpropane-1,3-dionate, were synthesized and characterised by 1H-NMR and elemental analysis. The HOMO/LUMO energy levels of the complexes were determined by cyclic voltammetry (CV) and their properties were established by UV-Visible and fluorescence spectroscopy. The application of (Clbt)2Ir(acac), (bt)2Ir(bsm) and (bt)2Ir(acac) as dopants in hole transporting layer (HTL) of Organic light- emitting diodes(OLEDs). It was found that with respect to the reference (bt)2Ir(acac): both LUMO and HOMO of the substituted complexes were shifted to more positive values accordingly with 0.23 and 0.19 eV for (Clbt)2Ir(acac) and 0.14 and 0.12 eV for (bt)2Ir(dbm). OLEDs doped with 1 w% of the complexes irradiated the warm white light with Commission internationale de l'eclairage (CIE) coordinates: 0.24;0.38 for (Clbt)2Ir(acac), 0.30;0.44 for (bt)2Ir(acac) and 0.28;0.46 for (bt)2Ir(dbm). Devices doped with 10 w% of all complexes irradiated in the yellow orange region of the spectrum

  1. Soft Neutrosophic Ring and Soft Neutrosophic Field

    Directory of Open Access Journals (Sweden)

    Mumtaz Ali


    Full Text Available In this paper we extend the theory of neutrosophic rings and neutrosophic fields to soft sets and construct soft neutrosophic rings and soft neutrosophic fields. We also extend neutrosophic ideal theory to form soft neutrosophic ideal over a neutrosophic ring and soft neutrosophic ideal of a soft neutrosophic ring. We have given many examples to illustrate the theory of soft neutrosophic rings and soft neutrosophic fields and display many properties of these. At the end of this paper we gave soft neutrosophic ring homomorphism.

  2. Thomson's Jumping Ring Over a Long Coil (United States)

    Jeffery, Rondo N.; Amiri, Farhang


    The classic jumping ring apparatus consists of a coil with an iron core that extends out of the coil. A copper or aluminum ring placed over the iron core jumps upward when AC power is applied to the coil. In this paper we will examine a modified design of the jumping ring apparatus, called the "long-coil design." It allows the ring to jump upward or downward, depending on the starting position of the ring. These features shed significant light on the study of the force that causes the ring to jump.

  3. E-læring

    DEFF Research Database (Denmark)

    Heilesen, Simon


    E-læring er et modeord og et mantra. Undervisning bliver ikke automatisk bedre af, at der sættes et ”e-” foran. Forbedring og fornyelse af undervisningen er betinget af, at vi forstår computermediets muligheder og skaber forandring ved at tilpasse det til de undervisningsformer, vi ønsker....

  4. ring og it

    DEFF Research Database (Denmark)

      Antologien er et bidrag til didaktiske diskussioner om brug af f.eks. programpakker til sprogundervisning, præsentationsprogrammel og konferencesystemer på de videregående uddannelser. Antologien diskuterer ideen om, at multimediale medier og internettet kan understøtte læring, undervisning og ...

  5. Ring laser frequency biasing mechanism

    International Nuclear Information System (INIS)

    McClure, R.E.


    A ring laser cavity including a magnetically saturable member for differentially phase shifting the contradirectional waves propagating in the laser cavity, the phase shift being produced by the magneto-optic interaction occurring between the light waves and the magnetization in the cavity forming component as the light waves are reflected therefrom is described

  6. Counting problems for number rings

    NARCIS (Netherlands)

    Brakenhoff, Johannes Franciscus


    In this thesis we look at three counting problems connected to orders in number fields. First we study the probability that for a random polynomial f in Z[X] the ring Z[X]/f is the maximal order in Q[X]/f. Connected to this is the probability that a random polynomial has a squarefree

  7. Wands of the Black Ring

    Czech Academy of Sciences Publication Activity Database

    Pravda, Vojtěch; Pravdová, Alena


    Roč. 37, č. 7 (2005), s. 1277-1287 ISSN 0001-7701 R&D Projects: GA ČR GP202/03/P017; GA AV ČR KJB1019403 Institutional research plan: CEZ:AV0Z10190503 Keywords : algebraic classification * Petrov classification * black ring Subject RIV: BA - General Mathematics Impact factor: 1.550, year: 2005

  8. On commutativity theorems for rings

    Directory of Open Access Journals (Sweden)

    H. A. S. Abujabal


    Full Text Available Let R be an associative ring with unity. It is proved that if R satisfies the polynomial identity [xny−ymxn,x]=0(m>1,n≥1, then R is commutative. Two or more related results are also obtained.

  9. Role of Solvent and Effect of Substituent on Azobenzene Isomerization by Using Room-Temperature Ionic Liquids as Reaction Media. (United States)

    Angelini, Guido; Canilho, Nadia; Emo, Mélanie; Kingsley, Molly; Gasbarri, Carla


    The effects of a para substituent, as the electron-donating -OCH3 and -OtBu groups and the electron-withdrawing -Br and -F atoms, on azobenzene isomerization have been investigated in a series of imidazolium ionic liquids (BMIM PF6, BMIM BF4, BMIM Tf2N, EMIM Tf2N, BM2IM Tf2N, and HMIM Tf2N). The thermal cis-trans conversion tends to be improved in the presence of the substituent, as pointed out by the first-order rate constants measured at 25 °C. Both the rotation and the inversion mechanisms occur in BMIM Tf2N, EMIM Tf2N, and HMIM Tf2N, as highlighted by typical V-shape Hammett plots, but only rotation takes place in BMIM PF6, BMIM BF4, and BM2IM Tf2N. The possible interactions between the cation and the anion of the solvent and both the isomers of the azobenzene derivatives have been studied by small-wide-angle X-ray scattering (SWAXS). The calculated cis population in the photostationary state and the hardness parameter η of the trans isomer show that azobenzene and F-azobenzene are the less reactive molecules for the trans-cis conversion in all the investigated ionic liquids.

  10. Structure Activity Relationships of αv Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents (United States)


    Antagonism of αvβ6 is emerging as a potential treatment of idiopathic pulmonary fibrosis based on strong target validation. Starting from an αvβ3 antagonist lead and through simple variation in the nature and position of the aryl substituent, the discovery of compounds with improved αvβ6 activity is described. The compounds also have physicochemical properties commensurate with oral bioavailability and are high quality starting points for a drug discovery program. Compounds 33S and 43E1 are pan αv antagonists having ca. 100 nM potency against αvβ3, αvβ5, αvβ6, and αvβ8 in cell adhesion assays. Detailed structure activity relationships with these integrins are described which also reveal substituents providing partial selectivity (defined as at least a 0.7 log difference in pIC50 values between the integrins in question) for αvβ3 and αvβ5. PMID:25408832

  11. peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase. (United States)

    Delley, Richard J; Bandyopadhyay, Subhajit; Fox, Mark A; Schliehe, Constanze; Hodgson, David R W; Hollfelder, Florian; Kirby, Anthony J; O'Donoghue, AnnMarie C


    The rate constants for exchange of hydrogen for deuterium at the α-CH(2) positions of 8-(N,N-dimethylaminonaphthalen-1-yl)acetic acid tert-butyl ester 1 and naphthalen-1-ylacetic acid tert-butyl ester 2 have been determined in potassium deuteroxide solutions in 1 : 1 D(2)O : CD(3)CN, in order to quantify the effect of the neighbouring peri-dimethylamino substituent on α-deprotonation. Intramolecular general base catalysis by the (weakly basic) neighbouring group was not detected. Second-order rate constants, k(DO), for the deuterium exchange reactions of esters 1 and 2 have been determined as 1.35 × 10(-4) M(-1) s(-1) and 3.95 × 10(-3) M(-1) s(-1), respectively. The unexpected 29-fold decrease in the k(DO) value upon the introduction of a peri-dimethylamino group is attributed to an unfavourable steric and/or electronic substituent effect on intermolecular deprotonation by deuteroxide ion. From the experimental k(DO) values, carbon acid pK(a) values of 26.8 and 23.1 have been calculated for esters 1 and 2.

  12. The role of substituents on the addition of muonium to aromatics: As seen through muonium-radicals in allyl benzene compared to styrene, and from Hammett parameters in aqueous solution

    International Nuclear Information System (INIS)

    Stadlbauer, J.M.; Ng, B.W.; Walker, D.C.; British Columbia Univ., Vancouver


    Muonium-radicals resulting from insertion into the benzene ring are found to be much more prevalent in allyl benzene (C 6 H 5 CH 2 CH=CH 2 ) than in styrene (C 6 H 5 CH=CH 2 ). The salient implication of this comparison is that intramolecular rearrangements preceeded the μSR observation for the case of styrene. In turn, this suggests that muonium-containing free radicals, as seen directly by kilogauss transverse field μSR, are not necessarily the primary radicals. Therefore, the elucidation of mechanism (and identification of the precursor) of Mu-radical formation is further complicated by the fact that the observations may refer to thermodynamically more stable secondary radicals - those resulting from a variety of intra- or inter-molecular relaxations or exchanges. Primary kinetic selectivities of thermalized muonium atom addition reactions can be determined, however, through the substituent effect on the Hammett linear free energy parameter in dilute solution. Results have been obtained for substituted benzenes and benzoic acids. Muonium apparently has a mild nucleophilic character. And, most interestingly, this is opposite to that of its heavy isotope hydrogen. (orig.)

  13. International Tree Ring Data Bank (ITRDB) (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Tree ring data from the International Tree Ring Data Bank and World Data Center for Paleoclimatology archives. Data include raw treering measurements (most are...

  14. Planetary science: Shepherds of Saturn's ring (United States)

    Crida, Aurélien


    Saturn's F ring is chaperoned on both sides by the tiny moons Prometheus and Pandora. Numerical simulations show that this celestial ballet can result from the collision of two aggregates that evolved out of Saturn's main rings.

  15. Planetary ring systems properties, structures, and evolution

    CERN Document Server

    Murray, Carl D


    Planetary rings are among the most intriguing structures of our solar system and have fascinated generations of astronomers. Collating emerging knowledge in the field, this volume reviews our current understanding of ring systems with reference to the rings of Saturn, Uranus, Neptune, and more. Written by leading experts, the history of ring research and the basics of ring–particle orbits is followed by a review of the known planetary ring systems. All aspects of ring system science are described in detail, including specific dynamical processes, types of structures, thermal properties and their origins, and investigations using computer simulations and laboratory experiments. The concluding chapters discuss the prospects of future missions to planetary rings, the ways in which ring science informs and is informed by the study of other astrophysical disks, and a perspective on the field's future. Researchers of all levels will benefit from this thorough and engaging presentation.

  16. Nonlinear analysis of ring oscillator circuits

    KAUST Repository

    Ge, Xiaoqing


    Using nonlinear systems techniques, we analyze the stability properties and synchronization conditions for ring oscillator circuits, which are essential building blocks in digital systems. By making use of its cyclic structure, we investigate local and global stability properties of an n-stage ring oscillator. We present a sufficient condition for global asymptotic stability of the origin and obtain necessity if the ring oscillator consists of identical inverter elements. We then give a synchronization condition for identical interconnected ring oscillators.

  17. On P-coherent endomorphism rings

    Indian Academy of Sciences (India)

    A ring is called right -coherent if every principal right ideal is finitely presented. Let M R be a right -module. We study the -coherence of the endomorphism ring of M R . It is shown that is a right -coherent ring if and only if every endomorphism of M R has a pseudokernel in add M R ; S is a left -coherent ring if and ...

  18. Tree-ring anomalies in Toona ciliata


    Heinrich, Ingo; Banks, John Charles Gripper


    New increment core samples of Toona ciliata collected in the Australian tropics and subtropics compared to already existing material from the Upper Kangaroo Valley, near Sydney exhibit distinct differences in tree-ring structures. This necessitated a closer examination of the wood anatomy, possible false rings and the species’ crossdating capacity in northeast Australia. During tree-ring analysis two growth anomalies (extensive zones of narrow and indistinct rings) and three types of false ri...

  19. The Hi-Ring DCN Architecture

    DEFF Research Database (Denmark)

    Galili, Michael; Kamchevska, Valerija; Ding, Yunhong


    We will review recent work on the proposed hierarchical ring-based architecture (HiRing) proposed for data center networks. We will discuss the architecture and initial demonstrations of optical switching performance and time-domain synchronization......We will review recent work on the proposed hierarchical ring-based architecture (HiRing) proposed for data center networks. We will discuss the architecture and initial demonstrations of optical switching performance and time-domain synchronization...

  20. Random Implantation of Asymmetric Intracorneal Rings

    Directory of Open Access Journals (Sweden)

    Cristina Peris-Martínez


    Full Text Available Intracorneal ring employment for treating ectasia is widespread. Although the mechanism of action of intracorneal rings in the regularization of the corneal surface after its implantation is well known in most cases, there are still many doubts. We present a case of implanted intracorneal rings, where, despite the peculiar position of the rings, the patient gains lines of visual acuity and keratoconus remains stable.

  1. Edge-on View of Saturn's Rings (United States)


    TOP - This is a NASA Hubble Space Telescope snapshot of Saturn with its rings barely visible. Normally, astronomers see Saturn with its rings tilted. Earth was almost in the plane of Saturn's rings, thus the rings appear edge-on.In this view, Saturn's largest moon, Titan, is casting a shadow on Saturn. Titan's atmosphere is a dark brown haze. The other moons appear white because of their bright, icy surfaces. Four moons - from left to right, Mimas, Tethys, Janus, and Enceladus - are clustered around the edge of Saturn's rings on the right. Two other moons appear in front of the ring plane. Prometheus is on the right edge; Pandora, on the left. The rings also are casting a shadow on Saturn because the Sun was above the ring plane.BOTTOM - This photograph shows Saturn with its rings slightly tilted. The moon called Dione, on the lower right, is casting a long, thin shadow across the whole ring system due to the setting Sun on the ring plane. The moon on the upper left of Saturn is Tethys.Astronomers also are studying the unusual appearance of Saturn's rings. The bottom image displays a faint, narrow ring, the F-ring just outside the main ring, which normally is invisible from Earth. Close to the edge of Saturn's disk, the front section of rings seem brighter and more yellow than the back due to the additional lumination by yellowish Saturn.The color images were assembled from separate exposures taken August 6 (top) and November 17 (bottom), 1995 with the Wide Field Planetary Camera-2.The Wide Field/Planetary Camera 2 was developed by the Jet Propulsion Laboratory and managed by the Goddard Spaced Flight Center for NASA's Office of Space Science.This image and other images and data received from the Hubble Space Telescope are posted on the World Wide Web on the Space Telescope Science Institute home page at URL

  2. Optical fiber having wave-guiding rings (United States)

    Messerly, Michael J [Danville, CA; Dawson, Jay W [Livermore, CA; Beach, Raymond J [Livermore, CA; Barty, Christopher P. J. [Hayward, CA


    A waveguide includes a cladding region that has a refractive index that is substantially uniform and surrounds a wave-guiding region that has an average index that is close to the index of the cladding. The wave-guiding region also contains a thin ring or series of rings that have an index or indices that differ significantly from the index of the cladding. The ring or rings enable the structure to guide light.

  3. Familial transmission of a ring chromosome 21

    DEFF Research Database (Denmark)

    Hertz, Jens Michael


    A ring chromosome 21 was found in a phenotypically normal mother and her son. The clinical findings in the son were bilateral retention of the testes and a slightly delayed puberty onset. Consequences of a ring formation of a chromosome 21 in phenotypically normal patients are presented...... and discussed, and the previously reported cases of familially transmitted G-group ring chromosomes are reviewed....

  4. Self-gravitation in Saturn's rings

    International Nuclear Information System (INIS)

    Salo, H.; Lukkari, J.


    In a ring-shaped collisional system self-gravitation reduces the equilibrium values of the geometric and optical thickness. In Saturn's rings both effects are appreciable. The previously found discrepancy between the calculated profile and the observed profile of the rings is chiefly caused by the omission of self-gravitation. (Auth.)

  5. Anomalous dark growth rings in black cherry (United States)

    Robert P. Long; David W. Trimpey; Michael C. Wiemann; Susan L. Stout


    Anomalous dark growth rings have been observed in black cherry (Prunus serotina) sawlogs from northwestern Pennsylvania making the logs unsuitable for veneer products. Thirty-six cross sections with dark rings, each traceable to one of ten stands, were obtained from a local mill and sections were dated and annual ring widths were measured. One or...

  6. A Ring Construction Using Finite Directed Graphs (United States)

    Bardzell, Michael


    In this paper we discuss an interesting class of noncommutative rings which can be constructed using finite directed graphs. This construction also creates a vector space. These structures provide undergraduate students connections between ring theory and graph theory and, among other things, allow them to see a ring unity element that looks quite…

  7. Laser driven structured quantum rings (United States)

    Castiglia, Giuseppe; Corso, Pietro Paolo; De Giovannini, Umberto; Fiordilino, Emilio; Frusteri, Biagio


    In this work we study harmonic emission from structured quantum rings (SQRs). In SQRs, electrons trapped in two-dimensional structures are further confined by an external potential composed of N scattering centers arranged on a circle. We build a suitable one-dimensional model Hamiltonian describing this class of systems and analytically solve the associated Schödinger equation. We find that the solution can be expressed in terms of Mathieu functions and focus on the specific case of N = 6. By exactly solving the time-dependent Schödinger equation, we then show how the harmonic response to linearly polarized lasers strongly depends on the ring physical parameters. The results illustrate how the additional degrees of freedom introduced by these parameters provide important handles to control the emitted spectrum that in some cases extends into the XUV region.

  8. Fiber Ring Optical Gyroscope (FROG) (United States)


    The design, construction, and testing of a one meter diameter fiber ring optical gyro, using 1.57 kilometers of single mode fiber, are described. The various noise components: electronic, thermal, mechanical, and optical, were evaluated. Both dc and ac methods were used. An attempt was made to measure the Earth rotation rate; however, the results were questionable because of the optical and electronic noise present. It was concluded that fiber ring optical gyroscopes using all discrete components have many serious problems that can only be overcome by discarding the discrete approach and adapting an all integrated optic technique that has the laser source, modulator, detector, beamsplitters, and bias element on a single chip.

  9. Behavioral Mapless Navigation Using Rings (United States)

    Monroe, Randall P.; Miller, Samuel A.; Bradley, Arthur T.


    This paper presents work on the development and implementation of a novel approach to robotic navigation. In this system, map-building and localization for obstacle avoidance are discarded in favor of moment-by-moment behavioral processing of the sonar sensor data. To accomplish this, we developed a network of behaviors that communicate through the passing of rings, data structures that are similar in form to the sonar data itself and express the decisions of each behavior. Through the use of these rings, behaviors can moderate each other, conflicting impulses can be mediated, and designers can easily connect modules to create complex emergent navigational techniques. We discuss the development of a number of these modules and their successful use as a navigation system in the Trinity omnidirectional robot.

  10. Livslang læring

    DEFF Research Database (Denmark)

    Larson, Anne


    Pædagogisk sociologi beskæftiger sig blandt andet med de politiske rammebetingelser for opdragelse, undervisning, socialisering og uddannelse. I dette kapitel præsenteres en komparativ undersøgelse af EU’s politik med hensyn til livslang læring på den ene side, og den danske politik og lovgivning...... tilgang kaldet ‘What is the problem represented to be?’...

  11. ring og vejledning

    DEFF Research Database (Denmark)

    Ambjørn, Lone

    Formålet med kompendiet om forskellige aspekter omkring sproglig læring er at ruste de studerende til studiet på en højere læreranstalt; at højne effektiviteten i deres sproglige læringsproces; at lære de studerende at arbejde uafhængigt af underviseren; at give de studerende de nødvendige redska...

  12. Two superconducting storage rings: ISABELLE

    International Nuclear Information System (INIS)

    Sanford, J.R.


    The general features of the design and the status of the ISABELLE storage ring project at the present time are reported. It brings up to date the results reported at the National Particle Accelerator Conference in March 1977. The most significant change since that time has been an upgrading of the energy of the overall facility, and acceptance of the project by the Department of Energy

  13. ring mellem elever

    DEFF Research Database (Denmark)

    Georgsen, Marianne; Davidsen, Jacob


    I denne rapport præsenteres resultater fra følgeforskningen til projektet Læring gennem Bevægelse, som er gennemført på Søndervangskolen i Hammel i perioden august 2009 - maj 2010. Projektet er gennemført i samspil mellem lærere, it-vejleder, elever og skolens ledelse. Projektets overordnede formål...

  14. ring mellem elever

    DEFF Research Database (Denmark)

    Davidsen, Jacob; Georgsen, Marianne

    I denne rapport tilbyder vi et indblik i det gennemførte projekt, og forfatterne har valgt nogle forhold ud, som belyses og diskuteres, mens andre ikke berøres eller diskuteres nævneværdigt i denne rapport. Det skyldes blandt andet projektets mange facetter, som dækker både læring, teknologi, pæd...

  15. Progressiv læring

    DEFF Research Database (Denmark)

    Wahlgren, Bjarne


    undervisningen. • At der afsættes tid til implementeringen, og at det gøres tydeligt, at implementering tager tid. • At organiseringen af undervisningen på skolerne tilpasses, så det letter anvendelsen af principperne i Progressiv Læring. • At lærernes kompetenceudvikling er forankret på skolen både emnemæssigt...

  16. Catharanthine C16 substituent effects on the biomimetic coupling with vindoline: preparation and evaluation of a key series of vinblastine analogues (United States)

    Tam, Annie; Gotoh, Hiroaki; Robertson, William M.; Boger, Dale L.


    The examination of the catharanthine C16 substituent effects on the Fe(III)-promoted biomimetic coupling reaction with vindoline is detailed, confirming the importance of the presence of a C16 electron-withdrawing substituent, and establishing an unanticipated unique role (>10-fold) that the C16 methyl ester plays in the expression of the natural product properties. Thus, replacement of the vinblastine C16′ methyl ester with an ethyl ester (10-fold), a cyano group (100-fold), an aldehyde (100-fold), a hydroxymethyl group (1000-fold), or a primary carboxamide (>1000-fold) led to surprisingly large reductions in cytotoxic activity. PMID:20932748

  17. Conformational analysis of benzoannulated nine-membered rings. Part 2. X-ray analysis and force-field calculations of 1,4,5,7-tetrahydro-3 H-2,6-benzodithionin and its derivatives (United States)

    Rys, Barbara; Szneler, Edward; Grochowski, Jacek; Serda, Paweł; Duddeck, Helmut


    The conformations of 1,4,5,7-tetrahydro-3 H-2,6-benzodithionin-4-spiro-(1'-cyclobutane), -(3'-oxacylobutane) and -(cyclopentane) have been determined by X-ray analysis and are compared with previous low-temperature NMR results and with MM2 calculations. Significant changes in bond lengths and torsion angles of the nine-membered ring may be due to differences in intramolecular strain and molecular packing. X-ray data revealed conformational similarities in spite of different substituents. MM2 calculations have shown that the solid-state conformation is close to the most stable of the twelve minimum-energy conformations found for the parent compound without substituents.

  18. DFT study on the second-order nonlinear optical properties of coumarin series molecules with various substituents

    International Nuclear Information System (INIS)

    Liang Xiaorui; Zhang Yong; Liang Chenghong; Li Yin; Zhao Bo


    The objective of this investigation was to design a series of coumarin with various substituents which show high nonlinear optical activity. The full geometry optimisations of designed coumarin systems were performed using Density Functional Theory (DFT) method at B3LYP/6-31G level of theory. The calculations of the static second-order NLO polarizabilities (β) of these systems were performed at the same level of theory. Combined with time-dependent density-functional theory (TD-DFT), the molecular electric spectrum was calculated. The results indicate that this series of coumarin have high β values. And series A have better planarity, longer conjugated bridge and larger β tot value than series B. The energy transition of frontier molecular orbitals is the key factor to the second-order NLO response. (authors)

  19. The Effect of Substituent Position on Excited State Intramolecular Proton Transfer in Benzoxazinone Derivatives: Experiment and DFT Calculation. (United States)

    Bian, Gao-Feng; Guo, Yun; Lv, Xiao-Jing; Zhang, Cheng


    The preparation and the photophysical behaviour of two benzoxazinone derivatives isomers 2-(1-hydroxynaphthalen-2-yl)-4H-benzo[e][1, 3]oxazin-4-one(1) and 2-(3-hydroxynaphthalen-2-yl)-4H-benzo[e][1, 3]oxazin-4-one(2) designed for displaying were reported. The effect of substituent position and solvent effect on the excited state intramolecular proton transfer (ESIPT) dynamics and the spectroscopic properties were investigated using a combined theoretical (i.e., time-dependent density function theory (DFT)) and experimental (i.e., steady-state absorption and emission spectra and time-resolved fluorescence spectra) study. The results showed that compound 1 would facilitate ESIPT process and favored the keto tautomer emission, while compound 2 suppressed the ESIPT process and favored the enol emission.

  20. The formation of quasi-alicyclic rings in alkyl-aromatic compounds (United States)

    Straka, Pavel; Buryan, Petr; Bičáková, Olga


    The alkyl side chains of n-alkyl phenols, n-alkyl benzenes and n-alkyl naphthalenes are cyclised, as demonstrated by GC measurements, FTIR spectroscopy and molecular mechanics calculations. Cyclisation occurs due to the intramolecular interaction between an aromatic ring (-δ) and a hydrogen of the terminal methyl group (+δ) of an alkyl chain. In fact, conventional molecules are not aliphatic-aromatic, but quasi-alicyclic-aromatic. With the aromatic molecules formed with a quasi-alicyclic ring, the effect of van der Waals attractive forces increases not only intramolecularly but also intermolecularly. This effect is strong in molecules with propyl and higher alkyl substituents. The increase of intermolecular van der Waals attractive forces results in bi-linearity in the GC retention time of the compounds in question, observed in the dependence of the logarithm of the relative retention time on the number of carbons in a molecule in both polar and nonpolar stationary phases with both capillary and packed columns. The role of van der Waals forces has been demonstrated using the potential energies of covalent and noncovalent interactions for 2-n-alkyl phenols, n-alkyl benzenes and 1-n-alkyl- and 2-n-alkyl naphthalenes.

  1. Multi-wavelength studies of Saturn's rings to constrain ring particle properties and ring structure (United States)

    Spilker, L.; Deau, E.; Morishima, R.; Filacchione, G.; Hedman, M.; Nicholson, P.; Colwell, J.; Bradley, T.


    A great deal can be learned about the nature of Saturn's ring particles and their regoliths by modeling the changes in brightness, color and temperature with changing viewing geometry over a wide range of wavelengths, from ultraviolet through the thermal infrared. Data from Cassini's Composite Infrared Spectrometer (CIRS), Visual and Infrared Mapping Spectrometer (VIMS), Imaging Science Subsystem (ISS) and Ultraviolet Imaging Spectrograph (UVIS) are jointly being studied using scans of the lit and unlit main rings (A, B, C and Cassini Division) at multiple geometries and solar elevations. Using multi-wavelength data sets allow us to test different thermal models by combining the effects of particle albedo, regolith grain size and surface roughness with thermal emissivity and inertia, particle spin rate and spin axis orientation. With the high spatial resolution of the Cassini data it is now possible to analyze these effects at smaller spatial scales and characterize regions such as the C ring plateaus and ringlets, where albedo differences may be present. In the CIRS data, over a range of solar elevations from -23 degrees to -8 degrees, the bulk of the temperature variations are confined primarily to phase angle. Only small temperature differences are observed with changing spacecraft elevation. Similar behavior is seen in the ISS color data. Color and temperature dependence with changing solar elevation angle are also observed. VIMS observations show that the IR ice absorption band depths are (almost) independent of phase angle, out to ~140 deg phase, suggesting that interparticle light scattering is relatively unimportant except at very high phase angles. These results imply that the individual properties of the ring particles may play a larger role than the collective properties of the rings, in particular at visible wavelengths. The temperature and color variation with phase angle may be a result of scattering within the regolith and on possibly rough surfaces


    NARCIS (Netherlands)


    The effects of various aromatic substituents in both ephedrine and a cyclic phosphoric acid on the quality of resolution via diastereomeric salt formation are investigated. The diastereoselective synthesis of a novel series of chloro-substituted ephedrines is described. These chloroephedrines can be


    NARCIS (Netherlands)



    The importance of solvation in determining substituent effects of alkyl groups has been assessed in a quantitative study of the medium effects of ethanol and 1-propanol on the neutral hydrolysis of 18 1-acyl-(3-substituted)-1,2,4-triazoles in highly aqueous solutions. The dependence of the

  4. Self-Assembly and Soft Material Preparation of Binary Organogels via Aminobenzimidazole/Benzothiazole and Acids with Different Alkyl Substituent Chains

    Directory of Open Access Journals (Sweden)

    Tifeng Jiao


    Full Text Available The gelation behaviors of binary organogels composed of aminobenzimidazole/benzothiazole derivatives and benzoic acid with single-/multialkyl substituent chain in various organic solvents were designed and investigated. Their gelation behaviors in 20 solvents were tested as new binary organic gelators. This showed that the number and length of alkyl substituent chains and benzimidazole/benzothiazole segment have played a crucial role in the gelation behavior of all gelator mixtures in various organic solvents. More alkyl chains in molecular skeletons in present gelators are favorable for the gelation of organic solvents. The length of alkyl substituent chains has also played an important role in changing the gelation behaviors and assembly states. Morphological studies revealed that the gelator molecules self-assemble into different aggregates from wrinkle, lamella, belt, to fiber with change of solvents. Spectral studies indicated that there existed different H-bond formation and hydrophobic force, depending on benzimidazole/benzothiazole segment and alkyl substituent chains in molecular skeletons. The prepared nanostructured materials have wide perspectives and many potential applications in nanoscience and material fields due to their scientific values. The present work may also give new clues for designing new binary organogelators and soft materials.

  5. Polyurethane Foams with Pyrimidine Rings

    Directory of Open Access Journals (Sweden)

    Kania Ewelina


    Full Text Available Oligoetherols based on pyrimidine ring were obtained upon reaction of barbituric acid with glycidol and alkylene carbonates. These oligoetherols were then used to obtain polyurethane foams in the reaction of oligoetherols with isocyanates and water. The protocol of foam synthesis was optimized by the choice of proper kind of oligoetherol and synthetic composition. The thermal resistance was studied by dynamic and static methods with concomitant monitoring of compressive strength. The polyurethane foams have similar physical properties as the classic ones except their enhanced thermal resistance. They stand long-time heating even at 200°C. Moreover thermal exposition of foams results generally in increase of their compressive strength.

  6. Ring with changeable radiation dosimeter

    International Nuclear Information System (INIS)

    Collica, C.; Epifano, L.; Farella, R.


    A ring for housing a disc of radiation measuring material is described comprising a band having a circular shape and a housing integral with the band. The housing comprises a hollow cylindrical section substantially normal to the band surface and terminating in an inwardly disposed annular flange which defines a substantially circular aperture. In a preferred embodiment of the invention a retaining protrusion formed on the inside of the cylindrical section and spaced from the annular flange is provided to retain a plurality of discs mounted in the housing in layered fashion

  7. Storage ring proton EDM experiment

    CERN Multimedia

    CERN. Geneva


    sensitivity of 10^-29 e-cm.  The strength of the method originates from the fact that there are high intensity polarized proton beams available and the fact that the so-called geometric phase systematic error background cancels with clock-wise and counter-clock-wise storage possible in electric rings. The ultimate sensitivity of the method is 10^-30 e-cm. At this level it will either detect a non-zero EDM or it will eliminate electro-weak baryogenesis.

  8. Longitudinal dynamics in storage rings

    International Nuclear Information System (INIS)

    Colton, E.P.


    The single-particle equations of motion are derived for charged particles in a storage ring. Longitudinal space charge is included in the potential assuming an infinitely conducting circular beam pipe with a distributed inductance. The framework uses Hamilton's equations with the canonical variables phi and W. The Twiss parameters for longitudinal motion are also defined for the small amplitude synchrotron oscillations. The space-charge Hamiltonian is calculated for both parabolic bunches and ''matched'' bunches. A brief analysis including second-harmonic rf contributions is also given. The final sections supply calculations of dynamical quantities and particle simulations with the space-charge effects neglected

  9. Interface-læring

    DEFF Research Database (Denmark)

    Thorhauge, Sally


    Interface-læring er den læringsoplevelse, der kan opstå i grænsefladen mellem to væsensforskellige læringsmiljøer, når de mødes og griber ind i hinanden. Et gymnasium og et museum er eksempler på to sådanne læringsmiljøer. Artiklen præsenterer nogle af de væsentligste resultater fra min ph.d. afh...

  10. Boom and Bust Cycles in Saturn's Rings (United States)

    Esposito, L. W.; Meinke, B. K.; Sremcevic, M.; Albers, N.


    Cassini UVIS occultation data show clumping in Saturn’s F ring and at the B ring outer edge, indicating aggregation and disaggregation at these locations perturbed by Mimas and Prometheus. Timescales range from hours to months. The maximum clumping lags the moon by roughly π in the forcing frame. This indicates a direct relation between the moon and the ring clumping. We propose that the collective behavior of the ring particles resembles a predator-prey system: the aggregate mean size is the prey, which feeds the velocity dispersion; conversely, increasing dispersion breaks up the aggregates. For realistic values of the parameters this creates a limit cycle behavior, as for the ecology of foxes and hares or the boom-bust economic cycle. Solving for the long-term behavior of this forced system gives a periodic response at the perturbing frequency, with a phase lag roughly consistent with the UVIS occultation measurements. We conclude that the agitation by the moons at both these locations in the F ring and at the B ring outer edge drives aggregation and disaggregation in the forcing frame. This agitation of the ring material allows fortuitous formation of solid objects from the temporary clumps, via stochastic processes like compaction, adhesion, sintering or reorganization that drives the denser parts of the aggregate to the center or ejects the lighter elements. These more persistent objects would then orbit at the Kepler rate. Such processes can create the equinox objects seen at the B ring edge and in the F ring, explain the ragged nature of those ring regions and allow for rare events to aggregate ring particles into solid objects, recycling the ring material and extending the ring lifetime.

  11. The cryogenic storage ring CSR (United States)

    von Hahn, R.; Becker, A.; Berg, F.; Blaum, K.; Breitenfeldt, C.; Fadil, H.; Fellenberger, F.; Froese, M.; George, S.; Göck, J.; Grieser, M.; Grussie, F.; Guerin, E. A.; Heber, O.; Herwig, P.; Karthein, J.; Krantz, C.; Kreckel, H.; Lange, M.; Laux, F.; Lohmann, S.; Menk, S.; Meyer, C.; Mishra, P. M.; Novotný, O.; O'Connor, A. P.; Orlov, D. A.; Rappaport, M. L.; Repnow, R.; Saurabh, S.; Schippers, S.; Schröter, C. D.; Schwalm, D.; Schweikhard, L.; Sieber, T.; Shornikov, A.; Spruck, K.; Sunil Kumar, S.; Ullrich, J.; Urbain, X.; Vogel, S.; Wilhelm, P.; Wolf, A.; Zajfman, D.


    An electrostatic cryogenic storage ring, CSR, for beams of anions and cations with up to 300 keV kinetic energy per unit charge has been designed, constructed, and put into operation. With a circumference of 35 m, the ion-beam vacuum chambers and all beam optics are in a cryostat and cooled by a closed-cycle liquid helium system. At temperatures as low as (5.5 ± 1) K inside the ring, storage time constants of several minutes up to almost an hour were observed for atomic and molecular, anion and cation beams at an energy of 60 keV. The ion-beam intensity, energy-dependent closed-orbit shifts (dispersion), and the focusing properties of the machine were studied by a system of capacitive pickups. The Schottky-noise spectrum of the stored ions revealed a broadening of the momentum distribution on a time scale of 1000 s. Photodetachment of stored anions was used in the beam lifetime measurements. The detachment rate by anion collisions with residual-gas molecules was found to be extremely low. A residual-gas density below 140 cm-3 is derived, equivalent to a room-temperature pressure below 10-14 mbar. Fast atomic, molecular, and cluster ion beams stored for long periods of time in a cryogenic environment will allow experiments on collision- and radiation-induced fragmentation processes of ions in known internal quantum states with merged and crossed photon and particle beams.

  12. Replantation of ring avulsion amputations

    Directory of Open Access Journals (Sweden)

    Sabapathy R


    Full Text Available Replantation of ring avulsion injuries is a challenge because of the long segment damage to the vessels and intrinsic damage caused to soft tissues at the proximal edge of the amputation. Eight patients with total ring avulsion amputations underwent microsurgical replantation in the period 1994 to 2002. Arterial repair was done by direct vessel suture in three patients, interposition vein grafts in two and cross anastomosis of the digital arteries in three patients. Venous anastomosis was carried out by mobilization and direct suture in seven patients and vessel transfer from the adjacent finger in one patient. Seven of the eight replantations were successful, while one patient had a partial failure. At a minimum follow-up of one year, these patients showed good functional and cosmetic recovery. All successful patients were happy with the outcome and none have requested for amputation, even those whose results were not functionally adequate. However, in addition to technical factors, it is important to evaluate the patient's motivation to undergo not only the long surgery, but also multiple secondary procedures and regular supervised physiotherapy. We also describe a simple method which prevents the soft tissues inside the degloved digit from becoming wrapped around the K wire during bony fixation, thus making one step of this technically challenging procedure a little easier.

  13. New diols with imidazoquinazoline ring (United States)

    Szyszkowska, Agnieszka; Klasek, Antonin; Pawlędzio, Sylwia; Trzybiński, Damian; Woźniak, Krzysztof; Zarzyka, Iwona


    The objective of these studies was to synthesize and characterize new diols with an imidazoquinazoline ring. New diols were obtained in reactions of 2,6-bis-(ethoxycarbonylmethyl)-1-phenylimidazo[1,5-c]quinazoline-3,5-dione with excess of ethylene glycol or in reaction of 1-phenyl-2H,6H-imidazo[1,5-c]quinazoline-3,5-dione with 2-M excess of ethylene oxide. The products were isolated at high yield and characterized by instrumental methods (IR, 1H- and 13C-NMR, MS-ESI, UV, TGA). The structure of 2,6-bis(2-hydroxyethyl)-1-phenylimidazo[1,5-c]quinazoline-3,5-dione (BEFIQ) was also investigated by single-crystal X-ray diffraction. BEFIQ crystallizes in the monoclinic P21/n space group with two molecules in the asymmetric unit of the crystal lattice. The nature of the packing of molecules in the crystal lattice of BEFIQ was investigated by Hirshfeld surface analysis. The described methods enable the synthesis of new diols with an imidazoquinazoline ring. The new diols are quite soluble in typical organic solvents. Therefore, they can be used as raw materials for the synthesis of thermally stable polymers, and they can also have biological activity.

  14. Homo- and Copolymerizations of Ethylene and Norbornene Using Bis(β-ketoamino Titanium Catalysts Containing Pyrazolone Rings

    Directory of Open Access Journals (Sweden)

    Lixia Pei


    Full Text Available A series of bis(β-ketoamino titanium complexes containing pyrazolone rings (1–3 have been synthesized, characterized, and used as precursors for homo- and copolymerization of ethylene and norbornene. The titanium complexes activated with methylaluminoxane (MAO exhibited good activities for homopolymerization of ethylene (E to produce linear polyethylenes (PEs. Ethylene–norbornene copolymers (E–N were also prepared by these catalysts with moderate activities, and influences of ligand substituents and norbornene addition on copolymer microstructure were studied in detail. Microstructure analysis of the E–N copolymers by 13C NMR and differential scanning calorimetry (DSC techniques showed that alternating (ENEN and isolated (ENEE norbornene predominately appeared in the copolymer chain, and the NN dyad and NNN triad sequences were also present in the copolymers obtained by the less bulky catalyst 1.

  15. A first course in noncommutative rings

    CERN Document Server

    Lam, T Y


    A First Course in Noncommutative Rings, an outgrowth of the author's lectures at the University of California at Berkeley, is intended as a textbook for a one-semester course in basic ring theory. The material covered includes the Wedderburn-Artin theory of semisimple rings, Jacobson's theory of the radical, representation theory of groups and algebras, prime and semiprime rings, local and semilocal rings, perfect and semiperfect rings, etc. By aiming the level of writing at the novice rather than the connoisseur and by stressing th the role of examples and motivation, the author has produced a text that is suitable not only for use in a graduate course, but also for self- study in the subject by interested graduate students. More than 400 exercises testing the understanding of the general theory in the text are included in this new edition.

  16. Foundations of commutative rings and their modules

    CERN Document Server

    Wang, Fanggui


    This book provides an introduction to the basics and recent developments of commutative algebra. A glance at the contents of the first five chapters shows that the topics covered are ones that usually are included in any commutative algebra text. However, the contents of this book differ significantly from most commutative algebra texts: namely, its treatment of the Dedekind–Mertens formula, the (small) finitistic dimension of a ring, Gorenstein rings, valuation overrings and the valuative dimension, and Nagata rings. Going further, Chapter 6 presents w-modules over commutative rings as they can be most commonly used by torsion theory and multiplicative ideal theory. Chapter 7 deals with multiplicative ideal theory over integral domains. Chapter 8 collects various results of the pullbacks, especially Milnor squares and D+M constructions, which are probably the most important example-generating machines. In Chapter 9, coherent rings with finite weak global dimensions are probed, and the local ring of weak gl...

  17. Report of the eRHIC Ring-Ring Working Group

    Energy Technology Data Exchange (ETDEWEB)

    Aschenauer, E. C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berg, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blaskiewicz, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Brennan, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fedotov, A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fischer, W. [Brookhaven National Lab. (BNL), Upton, NY (United States); Litvinenko, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Montag, C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Palmer, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Parker, B. [Brookhaven National Lab. (BNL), Upton, NY (United States); Peggs, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ptitsyn, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tepikian, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Trbojevic, D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Willeke, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)


    This report evaluates the ring-ring option for eRHIC as a lower risk alternative to the linac-ring option. The reduced risk goes along with a reduced initial luminosity performance. However, a luminosity upgrade path is kept open. This upgrade path consists of two branches, with the ultimate upgrade being either a ring-ring or a linac-ring scheme. The linac-ring upgrade could be almost identical to the proposed linac-ring scheme, which is based on an ERL in the RHIC tunnel. This linac-ring version has been studied in great detail over the past ten years, and its significant risks are known. On the other hand, no detailed work on an ultimate performance ring-ring scenario has been performed yet, other than the development of a consistent parameter set. Pursuing the ring-ring upgrade path introduces high risks and requires significant design work that is beyond the scope of this report.

  18. ring og den kulturhistoriske skole

    DEFF Research Database (Denmark)

    Broström, Stig


    -forskere uddrager den grundlæggende forståelse af forholdet mellem læring og udvikling. Nemlig at læring og udvikling indgår i en dialektisk enhed og virker gensidigt ind på hinanden - dog således at læring kommer ført, den trækker udviklingen med sig og så at sige leder udviklingen. Vygotskys tese vedrørende...

  19. On the potential of large ring lasers (United States)

    Stedman, G. E.; Hurst, R. B.; Schreiber, K. U.


    We describe a new ring laser with area A = 833 m 2 and update performance statistics for several such machines. Chaio and Anandan [R.Y. Chaio, J. Anandan, Gen. Relat. Gravit. 14 (1982) 515-521] judged ring lasers inferior to matter interferometers as possible detectors of gravitational waves. However, we note that geophysically interesting results have been obtained from large ring lasers and that there is still a lot of room for improvements.

  20. Arkitektur krop og læring

    DEFF Research Database (Denmark)

    Gulløv, E.; Coninck-Smith, N. D.; Pedersen, S. H.

    Når vi taler om læring, tænker vi sædvanligvis på resultatet af bevidst tilrettelagt undervisningsforløb. Megen læring sker imidlertid ubevidst via den påvirkning, omgivelserne øver på vores kroppe og vores sanser. I arkitektur, krop og læring gives en teoretisk og analytisk fremstilling af forsk......, Gebauer, Wulf, Lorentzer, Merleau-Ponty, Barth, Ehn....

  1. RRF rings which are not LRF

    Indian Academy of Sciences (India)

    All the rings we consider will be associative rings with an identity element 1 TИ 0 and all the modules considered will be unital modules. In what follows A denotes a ring, mod-A. (respectively A-mod) will denote the category of right (respectively left) A-modules. Recall (Definition 2.1 in [9]) that an A-module M is said to be ...

  2. Relatively Orthocomplemented Skew Nearlattices in Rickart Rings

    Directory of Open Access Journals (Sweden)

    Cīırulis Jānis


    Full Text Available A class of (right Rickart rings, called strong, is isolated. In particular, every Rickart *-ring is strong. It is shown in the paper that every strong Rickart ring R admits a binary operation which turns R into a right normal band having an upper bound property with respect to its natural order ≤; such bands are known as right normal skew nearlattices. The poset (R, ≤ is relatively orthocomplemented; in particular, every initial segment in it is orthomodular.

  3. Saturn’s ring temperatures at equinox (United States)

    Spilker, Linda J.; Ferrari, C.; Morishima, R.


    Modeling the thermal emission of Saturn's rings is challenging due to the numerous heating sources as well as the structural properties of the disk and of the particles that are closely related. At equinox, however, the main rings are externally heated by Saturn alone and the problem is somewhat simplified. We test the abilities of our current models to reproduce the temperatures observed with the Cassini CIRS instrument around equinox in August 2009. A simple semi-analytic model which includes mutual shadowing effects can mostly explain the radial profile of the equinox ring temperatures, except the model predicts lower temperatures than those observed for the A ring. The temperature variation at a given saturnocentric radius is primarily caused by observational geometry variations relative to Saturn. The observed temperature increases with decreasing Saturn-ring-observer angle. In addition, we found evidence that the leading hemispheres of particles are warmer than the trailing hemispheres at least for the C ring and probably for the A and B rings as well. This is explained if some fraction of particles has spin rates lower than the synchronous rotation rate as predicted by N-body simulations. The spin model for a monolayer ring (Ferrari, C., Leyrat, C., 2006, Astron. Astrophys. 447, 745-760) can fit the temperature variations with spacecraft longitude observed in the C ring with currently known thermal properties and a mixing of slow and fast rotators. The multilayer model (Morishima, R., Salo, H., Ohtsuki, K., 2009, Icarus 201, 634-654) can reproduce the temperatures of the B and C rings but gives A ring temperatures that are significantly lower than those observed as does the simple semi-analytic model. More advanced models which take into account self-gravity wakes may explain the A ring temperature behavior.

  4. Parameter Scan for the CLIC Damping Rings

    CERN Document Server

    Papaphilippou, Y; Korostelev, M


    Triggered by the RF frequency reduction of the CLIC main linac cavities, the damping ring parameters had to be reevaluated and the rings performance adapted to the new luminosity requirements. In view of a staged approach for reaching the ultimate energy of the collider, the dependence of the rings output emittances under the influence of Intrabeam Scattering is evaluated with respect to different beam characteristics such as bunch population, beam energy, coupling and longitudinal beam characteristics.

  5. Design of Piston Ring Friction Tester Apparatus

    DEFF Research Database (Denmark)

    Klit, Peder


    One of the major prerequisites for calculating piston ring friction is a good description of the tribological situation. Piston rings operate in three different lubrication regimes and the theoretical models should be capable to describe this. A very important condition for describing the frictio......One of the major prerequisites for calculating piston ring friction is a good description of the tribological situation. Piston rings operate in three different lubrication regimes and the theoretical models should be capable to describe this. A very important condition for describing...... the frictional behavior of a piston ring correctly is knowledge about the amount of lubricant present. For piston rings the external load may be established by measuring the pressure distribution, i.e. the pressure drop in the piston ring package. Speed and temperature may also be established. The amount...... available is reflected in the friction absorbed in the bearing. The following properties will be measured: Oil fillm thickness - along liner (axial variation), oil film thickness - along piston ring (circumferential variation), piston tilt, temperature of piston rings and liner, pressure at piston lands...

  6. Forandringslæring med autismediagnoser?

    DEFF Research Database (Denmark)

    Gustafson, Kari Ingrid; Mørck, Line Lerche


    Rasmus’ ændringer i læring, selvforståelse og tilhørsforhold perspektiveres med andre ASF-diagnostiseredes læring udforsket bl.a. gennem gruppeinterviews i regi af Asperger-foreningen. Artiklen byder således på et alternativ i form af at forstå forandringslæring som overskridende læring, med langt større...... hvor fx Asperger-foreningen, lærere og skolebørns- og unges-fællesskaber, samt forældrene er vigtige aktører i overskridelsen af marginalisering....

  7. Corneal iron ring after hyperopic photorefractive keratectomy. (United States)

    Bilgihan, K; Akata, F; Gürelik, G; Adigüzel, U; Akpinar, M; Hasanreisoğlu, B


    To report the incidence and course of corneal iron deposition after hyperopic photorefractive keratectomy (PRK). Gazi University, Medical School, Department of Ophthalmology, Ankara, Turkey. Between January 1995 and December 1997, 62 eyes had PRK to correct hyperopia. Nine eyes developed corneal iron ring 5 to 8 months (mean 6.25 months +/- 1.3 [SD]) after PRK for hyperopia. The rings persisted during the mean follow-up of 19 +/- 11.09 months. The ring-shaped iron deposition after PRK for hyperopia must be differentiated from the Fleischer ring. Our results suggest that the slitlamp findings of peripheral corneal iron deposition in hyperopic PRK patients correlate with achieved correction.

  8. Multiplication modules over non-commutative rings

    International Nuclear Information System (INIS)

    Tuganbaev, A A


    It is proved that each submodule of a multiplication module over a regular ring is a multiplicative module. If A is a ring with commutative multiplication of right ideals, then each projective right ideal is a multiplicative module, and a finitely generated A-module M is a multiplicative module if and only if all its localizations with respect to maximal right ideals of A are cyclic modules over the corresponding localizations of A. In addition, several known results on multiplication modules over commutative rings are extended to modules over not necessarily commutative rings

  9. Status of the SLC damping rings

    International Nuclear Information System (INIS)

    Hutton, A.M.; Davies-White, W.A.; Delahaye, J.P.


    Electron beams of full design energy 1.21 GeV and nearly full design intensity 4 x 10 10 particles/pulse (design 5 x 10 10 ) have been extracted from the Stanford Linac and successfully stored in the electron damping ring. Beams of less intensity have been extracted from the ring and reinjected into the Linac. The present intensity limits are not thought to be fundamental. The operating experience with the electron ring and the status of the construction of the positron ring will be discussed. 11 refs., 1 fig., 2 tabs

  10. The Conversion of Wiswesser Line Notations to Ring Codes. I. The Conversion of Ring Systems (United States)

    Granito, Charles E.; And Others


    The computerized conversion of Wiswesser Line Notations to Ring Codes, using a two-part approach, and the set of computer programs generated for the conversion of ring systems are described. (9 references) (Author)

  11. Mechanical support of a ceramic gas turbine vane ring (United States)

    Shi, Jun; Green, Kevin E.; Mosher, Daniel A.; Holowczak, John E.; Reinhardt, Gregory E.


    An assembly for mounting a ceramic turbine vane ring onto a turbine support casing comprises a first metal clamping ring and a second metal clamping ring. The first metal clamping ring is configured to engage with a first side of a tab member of the ceramic turbine vane ring. The second metal clamping ring is configured to engage with a second side of the tab member such that the tab member is disposed between the first and second metal clamping rings.

  12. Ring opening metathesis polymerization catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Grubbs, R.H.; Johnson, L.K.; Novak, B.M.; Hillmyer, M.; Benedicto, A.; France, M.; Nguyen, S.T. [California Institute of Technology, Pasadena, CA (United States)


    Over the past eight years, a number of new catalysts for the ring opening metathesis polymerization of cyclic olefins have been developed. These catalysts are simple organometallic complexes containing metal carbon multiple bonds that in most cases polymerize olefins by a living process. These catalysts have been used to prepare a family of near monodispersed and structurally homogeneous polymers, a series of telechelic polymers with controlled molecular weight and functionality and triblock polymers with segments with potentially interesting electronic properties. A series of new group VIII catalysts are being developed that allow a wide range of functionality to be incorporated into the polymer side chains. The same catalysts can also be used in the synthesis of fine chemicals.

  13. Main ring transition crossing simulations

    International Nuclear Information System (INIS)

    Kourbanis, I.; Ng, King-Yuen.


    We used ESME to simulate transition crossing in the Main Ring (MR). For the simulations, we followed the MR 29 cycle used currently for bar p production with a flat top of 120 GeV. In Sect. II, some inputs are discussed. In Sect. III, we present simulations with space charge turned off so that the effect of nonlinearity can be studied independently. When space charge is turned on in Sect. IV, we are faced with the problem of statistical errors due to binning, an analysis of which is given in the Appendices. Finally in Sects. V and VI, the results of simulations with space charge are presented and compared with the experimental measurements. 7 refs., 6 figs

  14. Low-emittance Storage Rings

    CERN Document Server

    Wolski, Andrzej


    The effects of synchrotron radiation on particle motion in storage rings are discussed. In the absence of radiation, particle motion is symplectic, and the beam emittances are conserved. The inclusion of radiation effects in a classical approximation leads to emittance damping: expressions for the damping times are derived. Then, it is shown that quantum radiation effects lead to excitation of the beam emittances. General expressions for the equilibrium longitudinal and horizontal (natural) emittances are derived. The impact of lattice design on the natural emittance is discussed, with particular attention to the special cases of FODO-, achromat- and theoretical-minimum-emittance-style lattices. Finally, the effects of betatron coupling and vertical dispersion (generated by magnet alignment and lattice tuning errors) on the vertical emittance are considered.

  15. What confines the rings of Saturn? (United States)

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


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

  16. VUV optical ring resonator for Duke storage ring free electron laser

    Energy Technology Data Exchange (ETDEWEB)

    Park, S.H.; Litvinenko, V.N.; Madey, J.M.J. [Duke Univ., Durham, NC (United States)] [and others


    The conceptual design of the multifaceted-mirror ring resonator for Duke storage ring VUV FEL is presented. The expected performance of the OK-4 FEL with ring resonator is described. We discuss in this paper our plans to study reflectivity of VUV mirrors and their resistivity to soft X-ray spontaneous radiation from OK-4 undulator.

  17. Electron beam cooling at a magnetic storage ring, TARN II, and an electrostatic storage ring

    International Nuclear Information System (INIS)

    Tanabe, Tetsumi


    At the High Energy Accelerator Research Organization (KEK), a magnetic storage ring, TARN II, with an electron cooler was operated from 1989 to 1999, while an electrostatic storage ring with a small electron cooler has been operational since 2000. In this paper, the electron cooling at TARN II and the electrostatic storage ring is described. (author)

  18. Temperature-Dependent Rate Constants and Substituent Effects for the Reactions of Hydroxyl Radicals With Three Partially Fluorinated Ethers (United States)

    Hsu, K.-J.; DeMore, W. B.


    Rate constants and temperature dependencies for the reactions of OH with CF3OCH3 (HFOC-143a), CF2HOCF2H (HFOC-134), and CF3OCF2H (HFOC-125) were studied using a relative rate technique in the temperature range 298-393 K. The following absolute rate constants were derived: HFOC-143a, 1.9E-12 exp(-1555/T); HFOC-134, 1.9E-12 exp(-2006/T); HFOC-125, 4.7E-13 exp(-2095/T). Units are cm(exp 3)molecule(exp -1) s(exp -1). Substituent effects on OH abstraction rate constants are discussed, and it is shown that the CF3O group has an effect on the OH rate constants similar to that of a fluorine atom. The effects are related to changes in the C-H bond energies of the reactants (and thereby the activation energies) rather than changes in the preexponential factors. On the basis of a correlation of rate constants with bond energies, the respective D(C-H) bond strengths in the three ethers are found to be 102, 104, and 106 kcal/mol, with an uncertainty of about 1 kcal/mol.

  19. Competition between "Meta Effect" Photochemical Reactions of Selected Benzophenone Compounds Having Two Different Substituents at Meta Positions. (United States)

    Ma, Jiani; Li, Huai; Zhang, Xiting; Tang, Wen-Jian; Li, Mingde; Phillips, David Lee


    Recent studies conducted on some "meta effect" photochemical reactions focused on aromatic carbonyls having a substitution on one meta position of the benzophenone (BP) and anthraquinone parent compound. In this paper, two different substitutions were introduced with one at each meta position of the BP parent compound to investigate possible competition between different types of meta effect photochemistry observed in acidic solutions containing water. The photochemical pathways of 3-hydroxymethyl-3'-fluorobenzophenone (1) and 3-fluoro-3'-methylbenzophenone (2) were explored in several solvents, including acidic water-containing solutions, using time-resolved spectroscopic experiments and density functional theory computations. It is observed that 1 can undergo a photoredox reaction and 2 can undergo a meta-methyl deprotonation reaction in acidic water-containing solutions. Comparison of these results to those previously reported for the analogous BP derivatives that contain only one substituent at a meta position indicates the introduction of electron-donating (such as hydroxyl) and electron-withdrawing groups (such as F) on the meta positions of BP can influence the meta effect photochemical reactions. It was found that involvement of an electron-donating moiety facilitates the meta effect photochemical reactions by stabilizing the crucial reactive biradical intermediate associated with the meta effect photochemical reactions.

  20. Two cases of halo scalp ring. (United States)

    Douri, Thaer Hasan


    Halo scalp ring (HSR) is a rare form of non-scarring annular alopecia that is attributed to caput succedaneum. It arises perinatally because of prolonged pressure on the scalp by the cervix during or before the delivery. We report two new cases of halo scalp ring in full term pregnancy - newborns.

  1. Two cases of halo scalp ring


    Douri, Thaer Hasan


    Halo scalp ring (HSR) is a rare form of non-scarring annular alopecia that is attributed to caput succedaneum. It arises perinatally because of prolonged pressure on the scalp by the cervix during or before the delivery. We report two new cases of halo scalp ring in full term pregnancy - newborns.

  2. Local duality for 2-dimensional local ring

    Indian Academy of Sciences (India)

    We prove a local duality for some schemes associated to a 2-dimensional complete local ring whose residue field is an -dimensional local field in the sense of Kato–Parshin. Our results generalize the Saito works in the case =0 and are applied to study the Bloch–Ogus complex for such rings in various cases.

  3. Hawking radiation of black rings from anomalies

    International Nuclear Information System (INIS)

    Chen Bin; He Wei


    We derive Hawking radiation of five-dimensional black rings from gauge and gravitational anomalies using the method proposed by Robinson and Wilczek. We find, as in the black hole case, that the problem could reduce to a (1+1)-dimensional field theory and the anomalies result in correct Hawking temperature for neutral, dipole and charged black rings

  4. Local duality for 2-dimensional local ring

    Indian Academy of Sciences (India)

    dimensional complete local ring whose residue field is an n-dimensional local field in the sense of. Kato–Parshin. Our results generalize the Saito works in the case n = 0 and are applied to study the Bloch–Ogus complex for such rings in various cases.

  5. Counteracting ring formation in rotary kilns

    NARCIS (Netherlands)

    Pisaroni, M.; Sadi, R.; Lahaye, D.

    Avoiding the formation of rings in rotary kilns is an issue of primary concern to the cement production industry. We developed a numerical combustion model that revealed that in our case study rings are typically formed in zones of maximal radiative heat transfer. This local overheating causes the

  6. The King's Ring: A Matter of Trust

    DEFF Research Database (Denmark)

    Sterrett, Joseph William


    This essay examines the material and social effects of an exchange of trust between a king, Henry VIII, and his counsellor, Thomas Cranmer in Shakespeare and Fletcher’s All is True. The ring that the King gives Cranmer is both nothing and everything: nothing in that it could be anything, any ring...

  7. Familial transmission of a ring chromosome 21

    DEFF Research Database (Denmark)

    Hertz, Jens Michael


    A ring chromosome 21 was found in a phenotypically normal mother and her son. The clinical findings in the son were bilateral retention of the testes and a slightly delayed puberty onset. Consequences of a ring formation of a chromosome 21 in phenotypically normal patients are presented...

  8. Coefficient rings of formal group laws

    International Nuclear Information System (INIS)

    Buchstaber, V M; Ustinov, A V


    We describe the coefficient rings of universal formal group laws which arise in algebraic geometry, algebraic topology and their application to mathematical physics. We also describe the homomorphisms of these coefficient rings coming from reductions of one formal group law to another. The proofs are based on the number-theoretic properties of binomial coefficients. Bibliography: 37 titles

  9. Ring chromosome 13 and ambiguous genitalia. (United States)

    Ozsu, Elif; Yeşiltepe Mutlu, Gül; Ipekçi, Belkıs


    Ambiguous genitalia, known to be associated with sex chromosome disorders, may also be seen with autosomal chromosome anomalies. Herein, we report a case with ambiguous genitalia and ring chromosome 13. Ring chromosome 13 is a rare genetic anomaly in which the loss of genetic material determines the clinical spectrum.

  10. Ring Chromosome 13 and Ambiguous Genitalia


    Özsu, Elif; Yeşiltepe Mutlu, Gül; İpekçi, Belkıs


    Ambiguous genitalia, known to be associated with sex chromosome disorders, may also be seen with autosomal chromosome anomalies. Herein, we report a case with ambiguous genitalia and ring chromosome 13. Ring chromosome 13 is a rare genetic anomaly in which the loss of genetic material determines the clinical spectrum.

  11. On P-coherent endomorphism rings

    Indian Academy of Sciences (India)

    A ring is called right -coherent if every principal right ideal is finitely presented. Let M R be a right -module. We study the -coherence of the endomorphism ring of M R . It is shown ... Author Affiliations. Li-Xin Mao1. Institute of Mathematics, Nanjing Institute of Technology, Nanjing 211167, People's Republic of China ...

  12. The Fine Structure of Herman Rings

    DEFF Research Database (Denmark)

    Fagella, Nuria; Henriksen, Christian


    We study the geometric structure of the boundary of Herman rings in a model family of Blaschke products of degree 3 (up to quasiconformal deformation). Shishikura’s quasiconformal surgery relates the Herman ring to the Siegel disk of a quadratic polynomial. By studying the regularity properties...

  13. On the nonlinear modeling of ring oscillators

    KAUST Repository

    Elwakil, Ahmed S.


    We develop higher-order nonlinear models of three-stage and five-stage ring oscillators based on a novel inverter model. The oscillation condition and oscillation frequency are derived and compared to classical linear model analysis. Two important special cases for five-stage ring oscillators are also studied. Numerical simulations are shown. © 2009 World Scientific Publishing Company.

  14. Piecewise catenarian and going between rings.


    Brodmann, M.


    The main purpose of this paper is to prove the following theorem. Let R be a noetherian ring and n a nonnegative integer. Then R[X1, ••• ,Xn] is a going-between ring (=GB) iff R is GB and is (n+l)-piecewise catenarian.

  15. The decay of confined vortex rings (United States)

    Stewart, K. C.; Niebel, C. L.; Jung, S.; Vlachos, P. P.


    Vortex rings are produced during the ejection of fluid through a nozzle or orifice, which occurs in a wide range of biological conditions such as blood flow through the valves of the heart or through arterial constrictions. Confined vortex ring dynamics, such as these, have not been previously studied despite their occurrence within the biological flow conditions mentioned. In this work, we investigate laminar vortex rings using particle image velocimetry and develop a new semi-empirical model for the evolution of vortex ring circulation subject to confinement. Here we introduce a decay parameter β which exponentially grows with increasing vortex ring confinement ratio, the ratio of the vortex ring diameter ( D VR) to the confinement diameter ( D), with the relationship β=4.38 exp(9.5D_VR/D), resulting in a corresponding increase in the rate of vortex ring circulation decay. This work enables the prediction of circulation decay rate based on confinement, which is important to understanding naturally occurring confined vortex ring dynamics.

  16. Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins

    KAUST Repository

    Borguet, Yannick


    © The Royal Society of Chemistry. Deprotonation of 1,3-di(2-tolyl)benzimidazolium tetrafluoroborate with a strong base afforded 1,3-di(2-tolyl)benzimidazol-2-ylidene (BTol), which dimerized progressively into the corresponding dibenzotetraazafulvalene. The complexes [RhCl(COD)(BTol)] (COD is 1,5-cyclooctadiene) and cis-[RhCl(CO)2(BTol)] were synthesized to probe the steric and electronic parameters of BTol. Comparison of the percentage of buried volume (%VBur) and of the Tolman electronic parameter (TEP) of BTol with those determined previously for 1,3-dimesitylbenzimidazol-2-ylidene (BMes) revealed that the two N-heterocyclic carbenes displayed similar electron donicities, yet the 2-tolyl substituents took a slightly greater share of the rhodium coordination sphere than the mesityl groups, due to a more pronounced tilt. The anti,anti conformation adopted by BTol in the molecular structure of [RhCl(COD)(BTol)] ensured nonetheless a remarkably unhindered access to the metal center, as evidenced by steric maps. Second-generation ruthenium-benzylidene and isopropoxybenzylidene complexes featuring the BTol ligand were obtained via phosphine exchange from the first generation Grubbs and Hoveyda-Grubbs catalysts, respectively. The atropisomerism of the 2-tolyl substituents within [RuCl2(=CHPh)(PCy3)(BTol)] was investigated by using variable temperature NMR spectroscopy, and the molecular structures of all four possible rotamers of [RuCl2(=CH-o-OiPrC6H4)(BTol)] were determined by X-ray crystallography. Both complexes were highly active at promoting the ring-closing metathesis (RCM) of model α,ω-dienes. The replacement of BMes with BTol was particularly beneficial to achieve the ring-closure of tetrasubstituted cycloalkenes. More specifically, the stable isopropoxybenzylidene chelate enabled an almost quantitative RCM of two challenging substrates, viz., diethyl 2,2-bis(2-methylallyl)malonate and N,N-bis(2-methylallyl)tosylamide, within a few hours at 60°C.

  17. Cooling rings for TeV colliders

    International Nuclear Information System (INIS)

    Palmer, R.B.


    Consideration is given to quantum fluctuations, intra beam scattering, cooling rates, and ring acceptance in order to see if one can obtain a normalized emittance of 10 -8 in any plausible cooling ring. It is concluded that only a small gain is obtained by varying the partition functions, but a very significant gain is made by using higher bending fields. The ring is found to get bigger if the magnet apertures are increased. The ring diameter is found to increase if the momentum spread of the beam is reduced. It is shown that the power can be reduced by allowing a high beamstrahlung energy loss resulting in higher current in the cooling ring. Parameters are also given for a 10 -7 m radian emittance case

  18. Monlithic nonplanar ring oscillator and method (United States)

    Nilsson, Alan C. (Inventor); Byer, Robert L. (Inventor)


    A monolithic nonplanar ring oscillator having an optically isotropic solid-state laser body for propagating laser radiation about a nonplanar ring path internal to the laser body is disclosed. The monolithic laser body is configured to produce a 2N reflection nonplanar ring light path, where N is an integer greater than or equal to 2, comprising 2N-1 total internal reflections and one reflection at a coupler in a single round trip. Undirectional traveling wave oscillation of the laser is induced by the geometry of the nonplanar ring path together with the effect of an applied magnetic field and partial polarizer characteristics of the oblique reflection from the coupler. The 6-reflection nonplanar ring oscillator makes possible otpimal unidirectional oscillation (low loss for the oscillating direction of propagation and, simultaneously high loss for the nonoscillating direction of propagation) in monolithic NPROs using materials with index of refraction smaller than the square root of 3, for example, laser glass.

  19. Observation of "fairy rings" in the lowlands

    Directory of Open Access Journals (Sweden)

    Barbara Sadowska


    Full Text Available Investigations on the formation of fairy rings by Agaricales were performed in the year·s 1971-1974 in forest meadows and reserves in Dziekanów Leśny and on agricultural mowed ones in Kazuń near Warsaw. During 240 observations 378 maps were made. In forest meadows 15 species formed rings and on agricultural mowed meadows 22 species. Many species formed rings considerably affecting the growth of vascular plants. This caused the formation of distinct zone.s parallel to the lines of fructifications. Many more species formed rings without affecting the growth and species composition of vascular plants. The appearance of fairy rings and the analysis of the reasons for their occurrence may facilitate in a certain sense the investigation of the speed and way of growth of mycelium in the soil.

  20. Vaginal rings for delivery of HIV microbicides

    Directory of Open Access Journals (Sweden)

    McCoy CF


    Full Text Available R Karl Malcolm, Susan M Fetherston, Clare F McCoy, Peter Boyd, Ian MajorSchool of Pharmacy, Queen's University Belfast, Belfast, UKAbstract: Following the successful development of long-acting steroid-releasing vaginal ring devices for the treatment of menopausal symptoms and contraception, there is now considerable interest in applying similar devices to the controlled release of microbicides against HIV. In this review article, the vaginal ring concept is first considered within the wider context of the early advances in controlled-release technology, before describing the various types of ring device available today. The remainder of the article highlights the key developments in HIV microbicide-releasing vaginal rings, with a particular focus on the dapivirine ring that is presently in late-stage clinical testing.Keywords: controlled release, sustained release, antiretroviral, dapivirine, SILCS diaphragm, silicone elastomer, thermoplastic

  1. An evolving view of Saturn's dynamic rings. (United States)

    Cuzzi, J N; Burns, J A; Charnoz, S; Clark, R N; Colwell, J E; Dones, L; Esposito, L W; Filacchione, G; French, R G; Hedman, M M; Kempf, S; Marouf, E A; Murray, C D; Nicholson, P D; Porco, C C; Schmidt, J; Showalter, M R; Spilker, L J; Spitale, J N; Srama, R; Sremcević, M; Tiscareno, M S; Weiss, J


    We review our understanding of Saturn's rings after nearly 6 years of observations by the Cassini spacecraft. Saturn's rings are composed mostly of water ice but also contain an undetermined reddish contaminant. The rings exhibit a range of structure across many spatial scales; some of this involves the interplay of the fluid nature and the self-gravity of innumerable orbiting centimeter- to meter-sized particles, and the effects of several peripheral and embedded moonlets, but much remains unexplained. A few aspects of ring structure change on time scales as short as days. It remains unclear whether the vigorous evolutionary processes to which the rings are subject imply a much younger age than that of the solar system. Processes on view at Saturn have parallels in circumstellar disks.

  2. Semi-algebraic function rings and reflectors of partially ordered rings

    CERN Document Server

    Schwartz, Niels


    The book lays algebraic foundations for real geometry through a systematic investigation of partially ordered rings of semi-algebraic functions. Real spectra serve as primary geometric objects, the maps between them are determined by rings of functions associated with the spectra. The many different possible choices for these rings of functions are studied via reflections of partially ordered rings. Readers should feel comfortable using basic algebraic and categorical concepts. As motivational background some familiarity with real geometry will be helpful. The book aims at researchers and graduate students with an interest in real algebra and geometry, ordered algebraic structures, topology and rings of continuous functions.

  3. Electro-optical hybrid slip ring (United States)

    Hong, En


    The slip ring is a rotary electrical interface, collector, swivel or rotary joint. It is a physical system that can perform continuous data transfer and data exchange between a stationary and a rotating structure. A slip ring is generally used to transfer data or power from an unrestrained, continuously rotating electro-mechanical system in real-time, thereby simplifying operations and eliminating damage-prone wires dangling from moving joints. Slip rings are widely used for testing, evaluating, developing and improving various technical equipment and facilities with rotating parts. They are widely used in industry, especially in manufacturing industries employing turbo machinery, as in aviation, shipbuilding, aerospace, defense, and in precise facilities having rotating parts such as medical Computerized Tomography (CT) and MRI scanners and so forth. Therefore, any improvement in slip ring technology can impact large markets. Research and development in this field will have broad prospects long into the future. The goal in developing the current slip ring technology is to improve and increase the reliability, stability, anti-interference, and high data fidelity between rotating and stationary structures. Up to now, there have been numerous approaches used for signal and data transfer utilizing a slip ring such as metal contacts, wires, radio transmission, and even liquid media. However, all suffer from drawbacks such as data transfer speed limitations, reliability, stability, electro-magnetic interference and durability. The purpose of the current research is to break through these basic limitations using an optical solution, thereby improving performance in current slip ring applications. This dissertation introduces a novel Electro-Optical Hybrid Slip Ring technology, which makes "through the air" digital-optical communication between stationary and rotating systems a reality with high data transfer speed, better reliability and low interference susceptibility

  4. A 3D visualization of the substituent effect : A brief analysis of two components of the operational formula of dual descriptor for open-shell systems. (United States)

    Martínez-Araya, Jorge I; Yepes, Diana; Jaque, Pablo


    Six organometallic compounds coming from a basic Mo-based complex were analyzed from the perspective of the dual descriptor in order to detect subtle influences that a substituent group could exert on the reactive core at a long range. Since the aforementioned complexes are open-shell systems, the used operational formula for the dual descriptor is that one defined for those aforementioned systems, which was then compared with spin density. In addition, dual descriptor was decomposed into two terms, each of which was also applied on every molecular system. The obtained results indicated that components of dual descriptor could become more useful than the operational formula of dual descriptor because differences exerted by the substituents at the para position were better detected by components of dual descriptor rather than the dual descriptor by itself.

  5. Phosphorus-containing podands. 14. Effect of alkyl substituents at phosphorus atom on complexing ability of neutral monopodands. On the nature of abnormal alkyl effect

    International Nuclear Information System (INIS)

    Tsvetkov, E.N.; Evreinov, V.I.; Bondarenko, N.A.; Safronova, Z.V.


    The previously revealed unusual effect of alkyl substituents at phosphorus atom in phosphorus-containing monopodands of the general formula o-R 2 P(O)C 6 H 4 (OCH 2 CH 2 ) n OC 6 H 4 P(O)R 2 -o, n=1-5, R = Alk, Ph, OEt on their complexing ability towards alkali metals cations has been interpreted. Alkyl radicals create great spatial obstacles to rotation of R 2 P(O) fragments around the C-P bond as compared with other substituents, which gives rise to the appearance of anomalous alkyl effect. Solvation is an additional factor, which can bring about the anomalous effect appearance or a change in the degree of its pronouncement. 47 refs.; 3 figs.; 7 tabs


    Directory of Open Access Journals (Sweden)

    P. I. Ioukhnevsky


    Full Text Available The paper reveals an influence of anion radicals based on replaced phenols on the solidification kinetics of cement concrete. Anion-radicals based on resorcinol (substituents of  the first kind in meta-position form less stable s-complex with ions of cement gel and retard its solidification to a lesser extent. On the contrary products of treated hydroquinone with non-coordinated orientation in changing p-electronic density form more stable s-complex and retard solidification of cement gel to a greater extent.The paper contains the obtained correlation relationships of concrete strength in various  solidification stages according to electronic properties of admixtures (s-constant meta- and para-substituents based on the replaced phenols.

  7. Galactic rings revisited - I. CVRHS classifications of 3962 ringed galaxies from the Galaxy Zoo 2 Database (United States)

    Buta, Ronald J.


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

  8. Wear Analysis of Top Piston Ring to Reduce Top Ring Reversal Bore Wear

    Directory of Open Access Journals (Sweden)

    P. Ilanthirayan


    Full Text Available The piston rings are the most important part in engine which controls the lubricating oil consumption and blowby of the gases. The lubricating film of oil is provided to seal of gases towards crankcase and also to give smooth friction free translatory motion between rings and liner. Of the three rings present top ring is more crucial as it does the main work of restricting gases downwards the crankcase. Boundary lubrication is present at the Top dead centre (TDC and Bottom dead centre (BDC of the liner surface. In addition to this, top ring is exposed to high temperature gases which makes the oil present near the top ring to get evaporated and decreasing its viscosity, making metal-metal contact most of the time. Due to this at TDC, excess wear happens on the liner which is termed as Top ring reversal bore wear. The wear rate depends upon many parameters such as lubrication condition, viscosity index, contact type, normal forces acting on ring, geometry of ring face, surface roughness, material property. The present work explores the wear depth for different geometries of barrel ring using Finite Element model with the help of Archard wear law and the same is validated through experimentation. The study reveals that Asymmetric barrel rings have less contact pressure which in turn reduces the wear at Top dead centre.

  9. Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation. (United States)

    Corrie, Tom J A; Ball, Liam T; Russell, Christopher A; Lloyd-Jones, Guy C


    The intramolecular gold-catalyzed arylation of arenes by aryl-trimethylsilanes has been investigated from both mechanistic and preparative aspects. The reaction generates 5- to 9-membered rings, and of the 44 examples studied, 10 include a heteroatom (N, O). Tethering of the arene to the arylsilane provides not only a tool to probe the impact of the conformational flexibility of Ar-Au-Ar intermediates, via systematic modulation of the length of aryl-aryl linkage, but also the ability to arylate neutral and electron-poor arenes-substrates that do not react at all in the intermolecular process. Rendering the arylation intramolecular also results in phenomenologically simpler reaction kinetics, and overall these features have facilitated a detailed study of linear free energy relationships, kinetic isotope effects, and the first quantitative experimental data on the effects of aryl electron demand and conformational freedom on the rate of reductive elimination from diaryl-gold(III) species. The turnover-limiting step for the formation of a series of fluorene derivatives is sensitive to the reactivity of the arene and changes from reductive elimination to π-complexation for arenes bearing strongly electron-withdrawing substituents (σ > 0.43). Reductive elimination is accelerated by electron-donating substituents (ρ = -2.0) on one or both rings, with the individual σ-values being additive in nature. Longer and more flexible tethers between the two aryl rings result in faster reductive elimination from Ar-Au(X)-Ar and lead to the π-complexation of the arene by Ar-AuX 2 becoming the turnover-limiting step.

  10. π-face donation from the aromatic N-substituent of N-heterocyclic carbene ligands to metal and its role in catalysis

    KAUST Repository

    Credendino, Raffaele


    In this work, we calculate the redox potential in a series of Ir and Ru complexes bearing a N-heterocyclic carbene (NHC) ligand presenting different Y groups in the para position of the aromatic N-substituent. The calculated redox potentials excellently correlate with the experimental ΔE 1/2 potentials, offering a handle to rationalize the experimental findings. Analysis of the HOMO of the complexes before oxidation suggests that electron-donating Y groups destabilize the metal centered HOMO. Energy decomposition of the metal-NHC interaction indicates that electron-donating Y groups reinforce this interaction in the oxidized complexes. Analysis of the electron density in the reduced and oxidized states of representative complexes indicates a clear donation from the C ipso of the N-substituents to an empty d orbital on the metal. In case of the Ru complexes, this mechanism involves the Ru-alkylidene moiety. All of these results suggest that electron-donating Y groups render the aromatic N-substituent able to donate more density to electron-deficient metals through the C ipso atom. This conclusion suggests that electron-donating Y groups could stabilize higher oxidation states during catalysis. To test this hypothesis, we investigated the effect of differently donating Y groups in model reactions of Ru-catalyzed olefin metathesis and Pd-catalyzed C-C cross-coupling. Consistent with the experimental results, calculations indicate an easier reaction pathway if the N-substituent of the NHC ligand presents an electron-donating Y group. © 2012 American Chemical Society.

  11. Dark and Photoinduced Cytotoxic Activity of the New Chlorophyll-a Derivatives with Oligoethylene Glycol Substituents on the Periphery of Their Macrocycles


    Yana I. Pylina; Dmitry M. Shadrin; Oksana G. Shevchenko; Olga M. Startseva; Igor O. Velegzhaninov; Dmitry V. Belykh; Ilya O. Velegzhaninov


    In the present work, we investigated the dark and photoinduced cytotoxic activity of the new chlorophyll-a derivatives which contain the substituents of oligoethylene glycol on the periphery of their macrocycles. These compounds were tested using human cell lines to estimate their potential as photosensitizers for photodynamic therapy of cancer. It was shown that all the tested compounds have expressed photoinduced cytotoxic activity in vitro. Detailed study of the biological activity of one ...

  12. Hyperautofluorescent ring in eyes with macular holes

    Directory of Open Access Journals (Sweden)

    Sato T


    Full Text Available Tatsuhiko Sato, Kazuyuki Emi, Yui Osawa, Hajime Bando Osaka Rosai Hospital Clinical Research Center for Occupational Sensory Organ Disability, Sakai, Japan Background: Fundus autofluorescence studies in eyes with macular holes (MHs have shown a hyperautofluorescent spot corresponding to the hole and a hypoautofluorescent ring corresponding to the fluid cuff surrounding the hole. The purpose of this report is to present three cases of MH with a different fundus autofluorescence pattern. Case reports: Case 1 was a 62-year-old woman who did not know the duration of the MH in her left eye. Her decimal best-corrected visual acuity (BCVA was 0.08. The left eye had a one-half disc diameter MH with a depigmented ring surrounding the area of the fluid cuff. Fundus autofluorescence showed a hyperautofluorescent ring corresponding to the depigmented ring. After vitrectomy, fundus autofluorescence showed the same size hyperautofluorescent ring despite the decreased size of the opened MH. Case 2 was a 69-year-old woman who had been diagnosed with MH in the right eye 13 years earlier. Her decimal BCVA was 0.1. The right eye had a one-half disc diameter MH with a depigmented ring surrounding the area of the fluid cuff. Fundus autofluorescence showed a hyperautofluorescent ring corresponding to the depigmented ring. Postoperative fundus autofluorescence showed the same size hyperautofluorescent ring despite the hole being closed. The decimal BCVA was 0.2 in her right eye 6 months after vitrectomy. Case 3 was a 71-year-old woman who had been diagnosed with MH in the right eye 15 years earlier. Her decimal BCVA was 0.1. The right eye had a one-half disc diameter MH with a depigmented ring which corresponded with a hyperautofluorescent ring. Postoperative fundus autofluorescence showed the same size hyperautofluorescent ring despite the hole being closed. The decimal BCVA was 0.2 in her right eye 6 months after vitrectomy. Conclusion: Our findings suggest that a

  13. Influence of different amino substituents in position 1 and 4 on spectroscopic and acid base properties of 9,10-anthraquinone moiety. (United States)

    Wcisło, Anna; Niedziałkowski, Paweł; Wnuk, Elżbieta; Zarzeczańska, Dorota; Ossowski, Tadeusz


    A series of novel 1-amino and 1,4-diamino-9,10-anthraquinones, substituted with different alkyl groups, were synthesized as the result of alkylation with amino substituents. All the obtained aminoanthraquinone derivatives were characterized by NMR, IR spectroscopy and mass spectrometry. The spectroscopic properties of these compounds were determined by using UV-Vis spectroscopy in acetonitrile, and in the mixture of acetonitrile and methanol at different pH ranges. The effects of various substituents present in the newly developed anthraquinone derivatives and their ability to form hydrogen bonds between the carbonyl oxygen atom of anthraquinone moiety and nitrogen atom of N-H group in 1-aminoanthraquinone (1-AAQ) and 1,4-diaminoanthraquinone (1,4-DAAQ) were studied. Additionally, the effects of hydrogen bond formation between O-H group in hydroxyethylamino substituent and the carbonyl oxygen atom of anthraquinone were investigated. The spectroscopic behavior of the studied derivatives strongly depended on the solvent-solute interactions and the nature of solvent. The values of pKa for the new anthraquinones were determined by the combined potentiometric and spectrophotometric titration methods. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Substituent and solvent effects on spectroscopic properties of 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene derivatives

    International Nuclear Information System (INIS)

    Józefowicz, M.; Bajorek, A.; Pietrzak, M.; Heldt, J.R.; Heldt, J.


    In this article, we report the photophysical properties of six, newly synthesized donor-substituted 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene fluorophores. The steady-state and time-resolved spectroscopic experiments have been used to investigate the substituent and solvent effects on the locally excited (LE) and intramolecular charge transfer (ICT) emission. We demonstrate that the spectroscopic characteristics (fluorescence quantum yields, fluorescence decay times, radiative rate constants, and ground and excited state dipole moments) of the studied D–A dyes, as well as the reorganization energies characterizing the solute–solvent interactions and intramolecular torsion motions greatly depend on different substituents and microenvironment. On the basis of the experimental results and our previous quantum-chemical calculations, it was shown that two emitting charge transfer states: non-relaxed (ICT) NR and relaxed (ICT) R exist in six biphenyl derivatives dissolved in polar solvents (e.g., THF), whereas in non-polar medium (MCH) the existence of two emissive states have been attributed to non-relaxed and relaxed, locally excited state ((LE) NR , (LE) R ). - Highlights: • Spectroscopic properties greatly depend on different substituents and microenvironment. • Investigated dyes form a typically spectrally inhomogeneous system. • Two emitting charge transfer states (ICT) NR and (ICT) R exist in polar solvents. • In non-polar medium locally excited fluorescence is possible from (LE) NR and (LE) R states

  15. Wedding ring shaped excitation coil (United States)

    MacLennan, Donald A.; Tsai, Peter


    A high frequency inductively coupled electrodeless lamp includes an excitation coil with an effective electrical length which is less than one half wavelength of a driving frequency applied thereto, preferably much less. The driving frequency may be greater than 100 MHz and is preferably as high as 915 MHz. Preferably, the excitation coil is configured as a non-helical, semi-cylindrical conductive surface having less than one turn, in the general shape of a wedding ring. At high frequencies, the current in the coil forms two loops which are spaced apart and parallel to each other. Configured appropriately, the coil approximates a Helmholtz configuration. The lamp preferably utilizes an bulb encased in a reflective ceramic cup with a pre-formed aperture defined therethrough. The ceramic cup may include structural features to aid in alignment and/or a flanged face to aid in thermal management. The lamp head is preferably an integrated lamp head comprising a metal matrix composite surrounding an insulating ceramic with the excitation integrally formed on the ceramic. A novel solid-state oscillator preferably provides RF power to the lamp. The oscillator is a single active element device capable of providing over 70 watts of power at over 70% efficiency.

  16. Common pass decentered annular ring resonator

    Energy Technology Data Exchange (ETDEWEB)

    Holmes, D. A.; Waite, T. R.


    An optical resonator having an annular cylindrical gain region for use in a chemical laser or the like in which two ring-shaped mirrors having substantially conical reflecting surfaces are spaced apart along a common axis of revolution of the respective conical surfaces. A central conical mirror reflects incident light directed along said axis radially outwardly to the reflecting surface of a first one of the ring-shaped mirrors. The radial light rays are reflected by the first ring mirror to the second ring mirror within an annular cylindrical volume concentric with said common axis and forming a gain region. Light rays impinging on the second ring mirror are reflected to diametrically opposite points on the same conical mirror surfaces and back to the first ring mirror through the same annular cylindrical volume. The return rays are then reflected by the conical mirror surface of the first ring mirror back to the central conical mirror. The mirror surfaces are angled such that the return rays are reflected back along the common axis by the central mirror in a concentric annular cylindrical volume. A scraper mirror having a central opening centered on said axis and an offset opening reflects all but the rays passing through the two openings in an output beam. The rays passing through the second opening are reflected back through the first opening to provide feedback.

  17. Nilradicals of skew Hurwitz series of rings

    Directory of Open Access Journals (Sweden)

    Morteza Ahmadi


    Full Text Available ‎For a ring endomorphism α of a ring R, ‎Krempa called α a rigid endomorphism if aα(a=0 implies a = 0 for a in R. ‎A ring R is called rigid if there exists a rigid endomorphism of R. ‎In this paper‎, ‎we extend the α-rigid property of a ring R to the upper nilradical N_r(R of R. ‎For an endomorphism α and the upper nilradical N_r(R of a ring R, ‎we introduce the condition (*: ‎N_r(R is a α-ideal of R and aα(a in N_r(R implies a in N_r(R for a in R. ‎We study characterizations of a ring R with an endomorphism α satisfying the condition (*, ‎and we investigate their related properties‎. ‎The connections between the upper nilradical of R and the upper nilradical of the skew Hurwitz series ring (HR,α of R are also investigated‎.

  18. Ring enhancement in contrast enhancement computed tomography

    International Nuclear Information System (INIS)

    Inatsuki, Shinichi; Hayashi, Kuniaki; Miyake, Hidetoshi


    Ring enhancement was examined in 11 lesions, 61 patients, we experienced. The frequency of ring enhancement observed in cerebral abscesses and tumors and the characteristics and the differential points of each disease were obtained. The frequency of ring enhancement was 54% in metastatic cerebral tumor, 56% in glioblastoma and astrocytoma (grade III) and 100% in cerebral abscess. Glioblastoma and astrocytoma (grade III) differed from other diseases in having distorted rings with poor uniform thickness. Although there was a great similarity between the computed tomographic picture of metastatic cerebral tumor and that of cerebral abscess, the ring in cerebral abscess was clearer, thin and uniform, and the peripheral edema in cerebral abscess was weak in general. In cerebral infarct, peripheral edema and mass effect of the ring were not observed or slightly observed, if any. Considering only the characteristics of the rings, there are differences between each diseases, and differentiation seems to be possibly performed. In practice, however, it is not necessarily easy to make a differential diagnosis. Clinical results should be carefully managed. (Kumagai, M.)

  19. Dynamics of the Uranian Gamma Ring (United States)

    Hamilton, Douglas P.; Rimlinger, Thomas; Hahn, Joseph M.


    The planet Uranus is surrounded by a unique ring system consisting of ten narrow ringlets as well as several broad sheets of dust. The brightest of these rings is bracketed by a pair of satellites, Cordelia and Ophelia, that may serve to help confine the ring radially. Searches for smaller satellites near the other narrow rings, however, have been unsuccessful. Hamilton et. al. 2016 and Rimlinger et al. 2016 have argued that the eccentric and/or inclined uranian ringlets self confine radially by a combination of ringlet gravity and viscous forces. Importantly, no shepherd satellites are required in this model.We apply these ideas to the uranian gamma ring, a particularly strange ringlet which has, in addition to the standard elliptical shape, a superposed m=0 breathing mode (French et. al. 1988). In a pure m=0 mode, the particles in an elliptical ring all reach pericenter at the same times giving the ring a circular appearance. The particles remain synced in phase and all move outward reaching apocenter simultaneously. Thus the ring appears circular at any given time, but the radius of the circle seems to increase and decrease - it breathes. We investigate first the dynamics of the pure m=0 mode and show that the equilibrium is stable against small perturbations. We are currently moving toward a more sophisticated stability analysis for the real gamma ring with its unusual combination of normal modes. We will detail our results to date and will report on our progress toward an origin scenario for this obscure but interesting ringlet.

  20. Charge-Shift Corrected Electronegativities and the Effect of Bond Polarity and Substituents on Covalent-Ionic Resonance Energy. (United States)

    James, Andrew M; Laconsay, Croix J; Galbraith, John Morrison


    Bond dissociation energies and resonance energies for H n A-BH m molecules (A, B = H, C, N, O, F, Cl, Li, and Na) have been determined in order to re-evaluate the concept of electronegativity in the context of modern valence bond theory. Following Pauling's original scheme and using the rigorous definition of the covalent-ionic resonance energy provided by the breathing orbital valence bond method, we have derived a charge-shift corrected electronegativity scale for H, C, N, O, F, Cl, Li, and Na. Atomic charge shift character is defined using a similar approach resulting in values of 0.42, 1.06, 1.43, 1.62, 1.64, 1.44, 0.46, and 0.34 for H, C, N, O, F, Cl, Li, and Na, respectively. The charge-shift corrected electronegativity values presented herein follow the same general trends as Pauling's original values with the exception of Li having a smaller value than Na (1.57 and 1.91 for Li and Na respectively). The resonance energy is then broken down into components derived from the atomic charge shift character and polarization effects. It is then shown that most of the resonance energy in the charge-shift bonds H-F, H 3 C-F, and Li-CH 3 and borderline charge-shift H-OH is associated with polarity rather than the intrinsic atomic charge-shift character of the bonding species. This suggests a rebranding of these bonds as "polar charge-shift" rather than simply "charge-shift". Lastly, using a similar breakdown method, it is shown that the small effect the substituents -CH 3 , -NH 2 , -OH, and -F have on the resonance energy (<10%) is mostly due to changes in the charge-shift character of the bonding atom.

  1. Antimicrobial and anticancer photodynamic activity of a phthalocyanine photosensitizer with N-methyl morpholiniumethoxy substituents in non-peripheral positions. (United States)

    Dlugaszewska, Jolanta; Szczolko, Wojciech; Koczorowski, Tomasz; Skupin-Mrugalska, Paulina; Teubert, Anna; Konopka, Krystyna; Kucinska, Malgorzata; Murias, Marek; Düzgüneş, Nejat; Mielcarek, Jadwiga; Goslinski, Tomasz


    Photodynamic therapy involves the use of a photosensitizer that is irradiated with visible light in the presence of oxygen, resulting in the formation of reactive oxygen species. A novel phthalocyanine derivative, the quaternary iodide salt of magnesium(II) phthalocyanine with N-methyl morpholiniumethoxy substituents, was synthesized, and characterized. The techniques used included mass spectrometry (MALDI TOF), UV-vis, NMR spectroscopy, and photocytotoxicity against bacteria, fungi and cancer cells. The phthalocyanine derivative possessed typical characteristics of compounds of the phthalocyanine family but the effect of quaternization was observed on the optical properties, especially in terms of absorption efficiency. The results of the photodynamic antimicrobial effect study demonstrated that cationic phthalocyanine possesses excellent photodynamic activity against planktonic cells of both Gram-positive and Gram-negative bacteria. The bactericidal effect was dose-dependent and all bacterial strains tested were killed to a significant degree by irradiated phthalocyanine at a concentration of 1×10 -4 M. There were no significant differences in the susceptibility of Gram-positive and Gram-negative bacteria to the applied photosensitizer. The photosensitivity of bacteria in the biofilm was lower than that in planktonic form. No correlation was found between the degree of biofilm formation and susceptibility to antimicrobial photodynamic inactivation. The anticancer activity of the novel phthalocyanine derivative was tested using A549 adenocarcinomic alveolar basal epithelial cells and the human oral squamous cell carcinoma cells derived from tongue (HSC3) or buccal mucosa (H413). No significant decrease in cell viability was observed under different conditions or with different formulations of the compound. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Cu(II) bis(thiosemicarbazone) radiopharmaceutical binding to serum albumin: further definition of species dependence and associated substituent effects

    Energy Technology Data Exchange (ETDEWEB)

    Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail:


    Introduction: The pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) radiopharmaceutical appears to exhibit only nonspecific binding to HSA and animal serum albumins. Methods: To further probe the structural basis for the species dependence of this albumin binding interaction, we examined protein binding of these three radiopharmaceuticals in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat and elephant). We also evaluated the albumin binding of several copper(II) bis(thiosemicarbazone) chelates offering more diverse substitution of the ligand backbone. Results: Cu-PTSM and Cu-ATSM exhibit a strong interaction with HSA that is not apparent with the albumins of other species, while the binding of Cu-ETS to albumin is much less species dependent. The strong interaction of Cu-PTSM with HSA does not appear to simply correlate with variation, relative to the animal albumins, of a single amino acid lining HSA's IIA site. Those agents that selectively interact with HSA share the common feature of only methyl or hydrogen substitution at the carbon atoms of the diimine fragment of the ligand backbone. Conclusions: The interspecies variations in albumin binding of Cu-PTSM and Cu-ATSM are not simply explained by unique amino acid substitutions in the IIA binding pocket of the serum albumins. However, the specific affinity for this region of HSA is disrupted when substituents bulkier than a methyl group appear on the imine carbons of the copper bis(thiosemicarbazone) chelate.

  3. Migration of Star Clusters and Nuclear Rings


    van de Ven, Glenn; Chang, Philip


    Star clusters that form in nuclear rings appear to be at slightly larger radii than the gas. We argue that the star clusters move out from the gas in which they are formed because of satellite-disk tidal interactions. In calculating the dynamics of this star cluster and gas ring system, we include the effects of dynamical friction of the background stars in the host galaxy on the star cluster, and inflowing gas along the bar onto the nuclear ring at the two contact points. We show that the fi...

  4. Beam dynamics in Compton ring gamma sources

    Directory of Open Access Journals (Sweden)

    Eugene Bulyak


    Full Text Available Electron storage rings of GeV energy with laser pulse stacking cavities are promising intense sources of polarized hard photons which, via pair production, can be used to generate polarized positron beams. In this paper, the dynamics of electron bunches circulating in a storage ring and interacting with high-power laser pulses is studied both analytically and by simulation. Both the common features and the differences in the behavior of bunches interacting with an extremely high power laser pulse and with a moderate pulse are discussed. Also considerations on particular lattice designs for Compton gamma rings are presented.

  5. Wind turbine ring/shroud drive system (United States)

    Blakemore, Ralph W.


    A wind turbine capable of driving multiple electric generators having a ring or shroud structure for reducing blade root bending moments, hub loads, blade fastener loads and pitch bearing loads. The shroud may further incorporate a ring gear for driving an electric generator. In one embodiment, the electric generator may be cantilevered from the nacelle such that the gear on the generator drive shaft is contacted by the ring gear of the shroud. The shroud also provides protection for the gearing and aids in preventing gear lubricant contamination.

  6. Injection envelope matching in storage rings

    International Nuclear Information System (INIS)

    Minty, M.G.; Spence, W.L.


    The shape and size of the transverse phase space injected into a storage ring can be deduced from turn-by-turn measurements of the transient behavior of the beam envelope in the ring. Envelope oscillations at 2 x the β-tron frequency indicate the presence of a β-mismatch, while envelope oscillations at the β-tron frequency are the signature of a dispersion function mismatch. Experiments in injection optimization using synchrotron radiation imaging of the beam and a fast-gated camera at the SLC damping rings are reported

  7. Nitrile O-ring Cracking: A Case of Vacuum Flange O-ring Failures

    Energy Technology Data Exchange (ETDEWEB)

    Dees, Craig


    A review of recent nitrile O-ring failures in ISO-KF vacuum flange connections in glovebox applications is presented. An investigation of a single “isolated” o-ring failure leads to the discovery of cracked nitrile o-rings in a glovebox atmospheric control unit. The initial cause of the o-ring failure is attributed to ozone degradation. However, additional investigation reveals nitrile o-ring cracking on multiple gloveboxes and general purpose piping, roughly 85% of the nitrile o-rings removed for inspection show evidence of visible cracking after being in service for 18 months or less. The results of material testing and ambient air testing is presented, elevated ozone levels are not found. The contributing factors of o-ring failure, including nitrile air sensitivity, inadequate storage practices, and poor installation techniques, are discussed. A discussion of nitrile o-ring material properties, the benefits and limitations, and alternate materials are discussed. Considerations for o-ring material selection, purchasing, storage, and installation are presented in the context of lessons learned from the nitrile o-ring cracking investigation. This paper can be presented in 20 minutes and does not require special accommodations or special audio visual devices.

  8. Dark matter axions and caustic rings

    International Nuclear Information System (INIS)

    Sikivie, P.


    This report contains discussions on the following topics: the strong CP problem; dark matter axions; the cavity detector of galactic halo axions; and caustic rings in the density distribution of cold dark matter halos

  9. Proton storage ring: man/machine interface

    International Nuclear Information System (INIS)

    Lander, R.F.; Clout, P.N.


    The human interface of the Proton Storage Ring Control System at Los Alamos is described in some detail, together with the software environment in which operator interaction programs are written. Some examples of operator interaction programs are given

  10. Sapphire Ring Resonator For Microwave Oscillator (United States)

    Dick, G. John; Saunders, Jon


    Sapphire dielectric ring resonator operating in "whispering-gallery" mode helps to stabilize frequency and phase of microwave oscillator. Reduces phase noise appreciably at room temperature and promises unprecedented stability of phase at cryogenic temperatures.

  11. Polarized gas targets for storage rings

    International Nuclear Information System (INIS)

    Holt, R.J.


    It is widely recognized that polarized gas targets in electron storage rings represent a new opportunity for precision nuclear physics studies. New developments in polarized target technology specific to internal applications will be discussed. In particular, polarized gas targets have been used in the VEPP-3 electron ring in Novosibirsk. A simple storage cell was used to increase the total target thickness by a factor of 15 over the simple gas jet target from an atomic beam source. Results from the initial phase of this project will be reported. In addition, the plans for increasing the luminosity by an additional order or magnitude will be presented. The application of this work to polarized hydrogen and deuterium targets for the HERA ring will be noted. The influence of beam-induced depolarization, a phenomena encountered in short-pulse electron storage rings, will be discussed. Finally, the performance tests of laser-driven sources will be presented. 8 refs., 12 figs., 1 tab

  12. A non-Abelian black ring

    Directory of Open Access Journals (Sweden)

    Tomás Ortín


    Full Text Available We construct a supersymmetric black ring solution of SU(2 N=1, d=5 Super-Einstein–Yang–Mills (SEYM theory by adding a distorted BPST instanton to an Abelian black ring solution of the same theory. The change cannot be observed from spatial infinity: neither the mass, nor the angular momenta or the values of the scalars at infinity differ from those of the Abelian ring. The entropy is, however, sensitive to the presence of the non-Abelian instanton, and it is smaller than that of the Abelian ring, in analogy to what happens in the supersymmetric colored black holes recently constructed in the same theory and in N=2, d=4 SEYM. By taking the limit in which the two angular momenta become equal we derive a non-Abelian generalization of the BMPV rotating black-hole solution.

  13. National synchrotron light source VUV storage ring

    International Nuclear Information System (INIS)

    Blumberg, L.; Bittner, J.; Galayda, J.; Heese, R.; Krinsky, S.; Schuchman, J.; van Steenbergen, A.


    A 700 MeV electron storage ring designed for synchrotron radiation applications is described. Lattice and stability calculations are presented and the vacuum, correction and injection systems are discussed

  14. Collins' bypass for the main ring

    International Nuclear Information System (INIS)

    Ohnuma, S.


    Design of the bypass for the main ring at Fermilab is discussed. Specific design features discussed include space, path length, geometric closure, matching of betatron functions, and external dispersion. Bypass parameters are given

  15. On Learning Ring-Sum-Expansions

    DEFF Research Database (Denmark)

    Fischer, Paul; Simon, H. -U.


    The problem of learning ring-sum-expansions from examples is studied. Ring-sum-expansions (RSE) are representations of Boolean functions over the base {#123;small infinum, (+), 1}#125;, which reflect arithmetic operations in GF(2). k-RSE is the class of ring-sum-expansions containing only monomials...... of length at most k:. term-RSE is the class of ring-sum-expansions having at most I: monomials. It is shown that k-RSE, k>or=1, is learnable while k-term-RSE, k>2, is not learnable if RPnot=NP. Without using a complexity-theoretical hypothesis, it is proven that k-RSE, k>or=1, and k-term-RSE, k>or=2 cannot...

  16. Ethinyl Estradiol and Etonogestrel Vaginal Ring (United States)

    ... or stand with one leg up on a chair, step, or other object. Choose the position that ... contraceptive ring.if you are having surgery, including dental surgery, tell the doctor or dentist that you ...

  17. A dynamic, rotating ring current around Saturn. (United States)

    Krimigis, S M; Sergis, N; Mitchell, D G; Hamilton, D C; Krupp, N


    The concept of an electrical current encircling the Earth at high altitudes was first proposed in 1917 to explain the depression of the horizontal component of the Earth's magnetic field during geomagnetic storms. In situ measurements of the extent and composition of this current were made some 50 years later and an image was obtained in 2001 (ref. 6). Ring currents of a different nature were observed at Jupiter and their presence inferred at Saturn. Here we report images of the ring current at Saturn, together with a day-night pressure asymmetry and tilt of the planet's plasma sheet, based on measurements using the magnetospheric imaging instrument (MIMI) on board Cassini. The ring current can be highly variable with strong longitudinal asymmetries that corotate nearly rigidly with the planet. This contrasts with the Earth's ring current, where there is no rotational modulation and initial asymmetries are organized by local time effects.

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

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


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

  19. Vaginal rings for menopausal symptom relief. (United States)

    Ballagh, Susan A


    The vagina is an alternative delivery site of sex steroids for menopausal women. New ring technology provides continuous and consistent delivery of steroids for up to 3 months. Rings rest on the pelvic floor muscles in a nearly horizontal position and are usually imperceptible. Steroid is delivered directly into the systemic circulation which may result in less alteration of coagulation/fibrinolysis pathways as seen with transdermal hormone therapy. Fewer adverse effects are noted when progesterone is applied vaginally, possibly due to lower serum levels of metabolites such as alloprenanolone. Women often switch to a ring for the longer dosing interval but also appreciate the reduced messiness. Over 5700 healthy US women who evaluated an unmedicated ring as a drug delivery platform found it very acceptable independent of age or prior use of barrier contraceptives. Marketed rings in the US include: (i) a ring for systemic and vaginal menopausal therapy that provides average serum estradiol levels of 40.6 pg/mL for the 0.05 mg and 76 pg/mL for the 0.1 mg dose; (ii) a ring for urogenital menopausal symptoms only that minimally elevates serum estradiol, usually within the menopausal range, treating atrophic vaginitis and urethritis; and (iii) a ring labelled for contraception that provides ethinyl estradiol 15 microg and etonogestrel 120 microg appropriate for nonsmoking perimenopausal women. A ring for combination hormone therapy and another releasing progesterone for contraception in lactating women have been reported in the literature, but are not yet available commercially. These may offer future options for hormone therapy. Women with a uterus receiving estrogen, even in low doses, should be given progestogen to prevent endometrial hyperplasia or carcinoma. Even women who have had an endometrial ablation are likely to have some endometrial tissue remaining since long-term amenorrhoea is uncommon. Since no marketed combination ring product is available, other forms

  20. Nonexistence of extremal de Sitter black rings (United States)

    Khuri, Marcus; Woolgar, Eric


    We show that near-horizon geometries in the presence of a positive cosmological constant cannot exist with ring topology. In particular, de Sitter black rings with vanishing surface gravity do not exist. Our result relies on a known mathematical theorem which is a straightforward consequence of a type of energy condition for a modified Ricci tensor, similar to the curvature-dimension conditions for the m-Bakry-Émery-Ricci tensor.

  1. A Review of Piston Compression Ring Tribology

    Directory of Open Access Journals (Sweden)

    P.C. Mishra


    Full Text Available This paper presents studies related to piston compression ring tribology and the theoretical and experimental works developed to analyze ring-liner contact friction. The literatures revealed that the simulation and experimental work are more independently investigated. The correlation of modeling output with experimental output is presented in limited number of research works. The experimental work to capture data from a running engine is also in basic level.

  2. Prometheus Induced Vorticity in Saturn's F Ring (United States)

    Sutton, Phil J.; Kusmartsev, Feo V.


    Saturn's rings are known to show remarkable real time variability in their structure. Many of which can be associated to interactions with nearby moons and moonlets. Possibly the most interesting and dynamic place in the rings, probably in the whole Solar System, is the F ring. A highly disrupted ring with large asymmetries both radially and azimuthally. Numerically non-zero components to the curl of the velocity vector field (vorticity) in the perturbed area of the F ring post encounter are witnessed, significantly above the background vorticity. Within the perturbed area rich distributions of local rotations is seen located in and around the channel edges. The gravitational scattering of ring particles during the encounter causes a significant elevated curl of the vector field above the background F ring vorticity for the first 1-3 orbital periods post encounter. After 3 orbital periods vorticity reverts quite quickly to near background levels. This new found dynamical vortex life of the ring will be of great interest to planet and planetesimals in proto-planetary disks where vortices and turbulence are suspected of having a significant role in their formation and migrations. Additionally, it is found that the immediate channel edges created by the close passage of Prometheus actually show high radial dispersions in the order 20-50 cm/s, up to a maximum of 1 m/s. This is much greater than the value required by Toomre for a disk to be unstable to the growth of axisymmetric oscillations. However, an area a few hundred km away from the edge shows a more promising location for the growth of coherent objects.

  3. Ring oscillator switching noise under NBTI wearout


    Fernández García, Raúl; Gil Galí, Ignacio; Ruiz, José María; Morata Cariñena, Marta


    In this paper the switching noise of a CMOS ring oscillator has been analysed when their pFETs are subjected to negative bias temperature instability (NBTI). The impact of pFET under NBTI has been experimentally quantified whereas CMOS ring oscillator frequency and the switching noise has been analysed by means of electrical full-model simulation. The results show that the impact on the electromagnetic compatibility behaviour increases with NBTI wearout. Peer Reviewed

  4. Collective Effects in the CLIC Damping Rings

    CERN Document Server

    Zimmermann, Frank; Korostelev, Maxim S; Schulte, Daniel; Yokoya, Kaoru


    The small emittance, short bunch length, and high current in the CLIC damping ring could give rise to collective effects which degrade the quality of the extracted beam. In this paper, we survey a number of possible instabilities and estimate their impact on the ring performance. The effects considered include fast beam-ion instability, coherent synchrotron radiation, Touschek scattering, intrabeam scattering, resistive-wall wake fields, and electron cloud.

  5. Eelgrass fairy rings: sulfide as inhibiting agent

    DEFF Research Database (Denmark)

    Borum, Jens; Raun, Ane-Marie Løvendahl; Hasler-Sheetal, Harald


    specifically, for the apparent die- off of eelgrass shoots on the inner side of the rings. The fairy rings were up to 15 m in diameter consisting of 0.3- to 1-m-wide zones of sea grass shoots at densities of up to 1,200 shoots m−2 and rooted in an up to 10-cm-thick sediment layer. On the outer side, shoots...

  6. Power cocentralizing generalized derivations on prime rings

    Indian Academy of Sciences (India)

    ring it follows that [R,R] ⊆ L. This follows from pp. 4–5 in [6], Lemma 2 and Proposition 1 in [4] and Theorem 4 in [8]. 2. The case of inner generalized derivations on prime rings. We dedicate this section to prove the theorem in case both the generalized derivations. H and G are inner, that is there exist b, c, p, q ∈ U such that ...

  7. Integral Ring Carbon-Carbon Piston (United States)

    Northam, G. Burton (Inventor)


    An improved structure for a reciprocating internal combustion engine or compressor piston fabricate from carbon-carbon composite materials is disclosed. An integral ring carbon-carbon composite piston, disclosed herein, reduces the need for piston rings and for small clearances by providing a small flexible, integral component around the piston that allows for variation in clearance due to manufacturing tolerances, distortion due to pressure and thermal loads, and variations in thermal expansion differences between the piston and cylinder liner.

  8. Characteristics of an Integrated Optics Ring Resonator. (United States)


    water before polishing. A 3/4 inch pitch polishing lap is prepared using 50% soft optical pitch. The pitch is melted and poured onto a flat metal lap. To...working on the devel- Typical lae powers for laser writing range from 8 pW to OPawnt Of a ring interferometer in glass, consisting Of a ring 0.5 mW

  9. Computerspil og læring

    DEFF Research Database (Denmark)

    Larsen, Lasse Juel


    Game-based learning og gamification er ord, der ofte optræder i forbindelse med computerspil og læring. Denne artikel vil analytisk undersøge, hvordan computerspil og læring går i forbindelse med hinanden. Artikel tager afsæt i Gregory Batesons læringsteori og læser denne igennem det kommercielle...

  10. Inelastic neutron scattering from superconducting rings

    International Nuclear Information System (INIS)

    Agafonov, A.I.


    For the first time the differential cross section for the inelastic magnetic neutron scattering by superconducting rings is derived taking account of the interaction of the neutron magnetic moment with the magnetic field generated by the superconducting current. Calculations of the scattering cross section are carried out for cold neutrons and thin film rings from type-II superconductors with the magnetic fields not exceeding the first critical field.

  11. Latest on polarization in electron storage rings

    International Nuclear Information System (INIS)

    Chao, A.W.


    The field of beam polarization in electron storage rings is making rapid progress in recent several years. This report is an attempt to summarize some of these developments concerning how to produce and maintain a high level of beam polarization. Emphasized will be the ideas and current thoughts people have on what should and could be done on electron rings being designed at present such as HERA, LEP and TRISTAN. 23 references

  12. Tannakian duality over Dedekind rings and applications


    Duong, Nguyen Dai; Hai, Phùng Hô


    We establish a duality between flat affine group schemes and rigid tensor categories equipped with a neutral fiber functor (called Tannakian lattice), both defined over a Dedekind ring. We use this duality and the known Tannakian duality due to Saavedra to study morphisms between flat affine group schemes. Next, we apply our new duality to the category of stratified sheaves on a smooth scheme over a Dedekind ring R to define the relative differential fundamental group scheme of the given sche...

  13. Ring Avulsion Injuries: A Systematic Review. (United States)

    Bamba, Ravinder; Malhotra, Gautam; Bueno, Reuben A; Thayer, Wesley P; Shack, R Bruce


    Ring avulsion injuries can range from soft tissue injury to complete amputation. Grading systems have been developed to guide treatment, but there is controversy with high-grade injuries. Traditionally, advanced ring injuries have been treated with completion amputation, but there is evidence that severe ring injuries can be salvaged. The purpose of this systematic review was to pool the current published data on ring injuries. A systematic review of the English literature published from 1980 to 2015 in PubMed and MEDLINE databases was conducted to identify patients who underwent treatment for ring avulsion injuries. Twenty studies of ring avulsion injuries met the inclusion criteria. There were a total of 572 patients reported with ring avulsion injuries. The Urbaniak class breakdown was class I (54 patients), class II (204 patients), and class III (314 patients). The average total arc of motion (TAM) for patients with a class I injury was 201.25 (n = 40). The average 2-point discrimination was 5.6 (n = 10). The average TAM for patients with a class II injury undergoing microsurgical revascularization was 187.0 (n = 114), and the average 2-point discrimination was 8.3 (n = 40). The average TAM for patients with a class III injury undergoing microsurgical revascularization was 168.2 (n = 170), and the average 2-point discrimination was 10.5 (n = 97). Ring avulsion injuries are commonly classified with the Urbaniak class system. Outcomes are superior for class I and II injuries, and there are select class III injuries that can be treated with replantation. Shared decision making with patients is imperative to determine whether replantation is appropriate.


    International Nuclear Information System (INIS)



    During the g-2 run at the BNL AGS in early 2000, a 200 MeV storage-ring-like magnetic cycle has been set-up and tuned at the Booster in preparing for the Spallation Neutron Source (SNS) accumulator ring study. In this article, we report the progress of the machine set-up, tuning, some preliminary studies, and the future plan

  15. Control of ring lasers by means of coupled cavities

    DEFF Research Database (Denmark)

    Buchhave, Preben; Abitan, Haim; Tidemand-Lichtenberg, Peter


    Variable phase coupling to an external ring is used to control a unidirectional ring laser. The observed behavior of the coupled rings is explained theoretically. We have found experimentally that by quickly changing the phase of the feedback from the external ring it is possible to Q-switch the ......-switch the ring laser. Also, at certain values of the phase of the feedback in the external ring, instabilities in the total system occur and oscillations arise in the ring laser.......Variable phase coupling to an external ring is used to control a unidirectional ring laser. The observed behavior of the coupled rings is explained theoretically. We have found experimentally that by quickly changing the phase of the feedback from the external ring it is possible to Q...

  16. Lactones 35 [1]. Metabolism of iodolactones with cyclohexane ring in Absidia cylindrospora culture. (United States)

    Gładkowski, Witold; Mazur, Marcelina; Białońska, Agata; Wawrzeńczyk, Czesław


    The metabolism of δ-iodo-γ-lactones containing cyclohexane ring with an increasing number of methyl substituents in Absidia cylindrospora was studied and seven metabolites were isolated as the products of biotransformations of these substrates. They were formed as the result of various dehalogenation pathways and four of them (hydroxylactones and epoxylactone) turned out to be new compounds. The conversion of substrates ranged from 60% to 90% and the highest conversion was observed for the iodolactone with an unsubstituted cyclohexane ring. The products were fully characterized by the spectroscopic methods and for the hydroxylactone with gem-dimethyl group at C-5 and hydroxylactone with trimethylcyclohexane system the crystal structures were obtained. The main products formed in the process of hydrolytic dehalogenation were δ-hydroxy-γ-lactones with the hydroxy group located cis in relation to lactone moiety. In case of lactone with 4,4,6-trimethylcyclohexane system the dehydrohalogenation followed by the epoxidation of double bond was also observed. One of the metabolites 4,5-epoxy-2,2,6-trimethyl-9-oxabicyclo[4.3.0]nonan-8-one was formed in the sequence of three reactions: hydroxylation at C-5, translactonization and intramolecular nucleophilic substitution of the iodine by the hydroxy group. Some of the isolated products of transformation of the iodolactone with trimethylcyclohexane system were obtained as the single enantiomers. The application of fungi studied to the dehalogenation of iodolactones could be a useful method in the production of new metabolites with oxygen-containing functional groups with antifeedant activity. Copyright © 2010 Elsevier Inc. All rights reserved.

  17. Syntheses of cytotoxic novel arctigenin derivatives bearing halogen and alkyl groups on aromatic rings. (United States)

    Yamauchi, Satoshi; Wukirsari, Tuti; Ochi, Yoshiaki; Nishiwaki, Hisashi; Nishi, Kosuke; Sugahara, Takuya; Akiyama, Koichi; Kishida, Taro


    The new lignano-9,9'-lactones (α,β-dibenzyl-γ-butyrolactone lignans), which showed the higher cytotoxicity than arctigenin, were synthesized. The well-known cytotoxic arctigenin showed activity against HL-60 cells (EC 50 =12μM), however, it was inactive against HeLa cells (EC 50 >100μM). The synthesized (3,4-dichloro, 2'-butoxy)-derivative 55 and (3,4-dichloro, 4'-butyl)-derivative 66 bearing the lignano-9,9'-lactone structures showed the EC 50 values of 10μM and 9.4μM against HL-60 cells, respectively. Against HeLa cells, the EC 50 value of the derivative 66 was 27μM. By comparing the activities with the corresponding 9,9'-epoxy structure (tetrahydrofuran compounds), the importance of the lactone structure of 55 and 66 for the higher activities was shown. The substituents on the aromatic ring of the lignano-9,9'-lactones affected the cytotoxicity level, observing more than 10-fold difference. Copyright © 2017. Published by Elsevier Ltd.

  18. Achieving Translationally Invariant Trapped Ion Rings (United States)

    Urban, Erik; Li, Hao-Kun; Noel, Crystal; Hemmerling, Boerge; Zhang, Xiang; Haeffner, Hartmut


    We present the design and implementation of a novel surface ion trap design in a ring configuration. By eliminating the need for wire bonds through the use of electrical vias and using a rotationally invariant electrode configuration, we have realized a trap that is able to trap up to 20 ions in a ring geometry 45um in diameter, 400um above the trap surface. This large trapping height to ring diameter ratio allows for global addressing of the ring with both lasers and electric fields in the chamber, thereby increasing our ability to control the ring as a whole. Applying compensating electric fields, we measure very low tangential trap frequencies (less than 20kHz) corresponding to rotational barriers down to 4mK. This measurement is currently limited by the temperature of the ions but extrapolation indicates the barrier can be reduced much further with more advanced cooling techniques. Finally, we show that we are able to reduce this energy barrier sufficiently such that the ions are able to overcome it either through thermal motion or rotational motion and delocalize over the full extent of the ring. This work was funded by the Keck Foundation and the NSF.


    Directory of Open Access Journals (Sweden)

    P. I. Gladkikh


    Full Text Available NESTOR is the hard X-ray source that is under commissioning at NSC KIPT. NESTOR based on the Compton scattering of laser photons on relativistic electrons. The structure of the facility can be represented as the following components: a linear accelerator, a transport channel, a storage ring, and a laser-optical system. Electrons are stored in the storage ring for energy of 40-200 MeV. Inevitable alignment errors of magnetic elements are strongly effect on the beam dynamics in the storage ring. These errors lead to a shift of the equilibrium orbit relative to the ideal one. Significant shift of the equilibrium orbit could lead to loss of the beam on physical apertures. Transverse sizes of electron and laser beams are only few tens of microns at the interaction point. The shift of electron beam at the interaction point could greatly complicate the operation adjustment of storage ring without sufficient beam position diagnostic system. This article presents the simulation results of the efficiency of electron beam accumulation in the NESTOR storage ring. Also, this article is devoted to electron beam dynamics due to alignment errors of magnetic element in the ring.

  20. Hitchhikers’ guide to analysing bird ringing data

    Directory of Open Access Journals (Sweden)

    Harnos Andrea


    Full Text Available Bird ringing datasets constitute possibly the largest source of temporal and spatial information on vertebrate taxa available on the globe. Initially, the method was invented to understand avian migration patterns. However, data deriving from bird ringing has been used in an array of other disciplines including population monitoring, changes in demography, conservation management and to study the effects of climate change to name a few. Despite the widespread usage and importance, there are no guidelines available specifically describing the practice of data management, preparation and analyses of ringing datasets. Here, we present the first of a series of comprehensive tutorials that may help fill this gap. We describe in detail and through a real-life example the intricacies of data cleaning and how to create a data table ready for analyses from raw ringing data in the R software environment. Moreover, we created and present here the R package; ringR, designed to carry out various specific tasks and plots related to bird ringing data. Most methods described here can also be applied to a wide range of capture-recapture type data based on individual marking, regardless to taxa or research question.

  1. Rings of non-spherical, axisymmetric bodies (United States)

    Gupta, Akash; Nadkarni-Ghosh, Sharvari; Sharma, Ishan


    We investigate the dynamical behavior of rings around bodies whose shapes depart considerably from that of a sphere. To this end, we have developed a new self-gravitating discrete element N-body code, and employed a local simulation method to simulate a patch of the ring. The central body is modeled as a symmetric (oblate or prolate) ellipsoid, or defined through the characteristic frequencies (circular, vertical, epicyclic) that represent its gravitational field. Through our simulations we explore how a ring's behavior - characterized by dynamical properties like impact frequency, granular temperature, number density, vertical thickness and radial width - varies with the changing gravitational potential of the central body. We also contrast properties of rings about large central bodies (e.g. Saturn) with those of smaller ones (e.g. Chariklo). Finally, we investigate how the characteristic frequencies of a central body, restricted to being a solid of revolution with an equatorial plane of symmetry, affect the ring dynamics. The latter process may be employed to qualitatively understand the dynamics of rings about any symmetric solid of revolution.

  2. Phase behaviour of polyethylene knotted ring chains

    International Nuclear Information System (INIS)

    Wen Xiao-Hui; Xia A-Gen; Chen Hong-Ping; Zhang Lin-Xi


    The phase behaviour of polyethylene knotted ring chains is investigated by using molecular dynamics simulations. In this paper, we focus on the collapse of the polyethylene knotted ring chain, and also present the results of linear and ring chains for comparison. At high temperatures, a fully extensive knot structure is observed. The mean-square radius of gyration per bond (S 2 )/(Nb 2 ) and the shape factor (δ*) depend on not only the chain length but also the knot type. With temperature decreasing, chain collapse is observed, and the collapse temperature decreases with the chain length increasing. The actual collapse transition can be determined by the specific heat capacity C v , and the knotted ring chain undergoes gas—liquid—solid-like transition directly. The phase transition of a knotted ring chain is only one-stage collapse, which is different from the polyethylene linear and ring chains. This investigation can provide some insights into the statistical properties of knotted polymer chains. (condensed matter: structural, mechanical, and thermal properties)

  3. Literature Survey and Further Studies on the 3-Alkylation of N-Unprotected 3-Monosubstituted Oxindoles. Practical Synthesis of N-Unprotected 3,3-Disubstituted Oxindoles and Subsequent Transformations on the Aromatic Ring. (United States)

    Kókai, Eszter; Simig, Gyula; Volk, Balázs


    The paper provides a comprehensive review of the base-catalysed C3-alkylation of N-unprotected-3-monosubstituted oxindoles. Based on a few, non-systematic studies described in the literature using butyllithium as the deprotonating agent, an optimized method has now been elaborated, via the corresponding lithium salt, for the selective C3-alkylation of this family of compounds. The optimal excess of butyllithium and alkylating agent, and the role of the halogen atom in the latter (alkyl bromides vs. iodides) were also studied. The alkylation protocol has also been extended to some derivatives substituted at the aromatic ring. Finally, various substituents were introduced into the aromatic ring of the N-unprotected 3,3-dialkyloxindoles obtained by this optimized method.

  4. Systematic Search for Rings around Kepler Planet Candidates: Constraints on Ring Size and Occurrence Rate (United States)

    Aizawa, Masataka; Masuda, Kento; Kawahara, Hajime; Suto, Yasushi


    We perform a systematic search for rings around 168 Kepler planet candidates with sufficient signal-to-noise ratios that are selected from all of the short-cadence data. We fit ringed and ringless models to their light curves and compare the fitting results to search for the signatures of planetary rings. First, we identify 29 tentative systems, for which the ringed models exhibit statistically significant improvement over the ringless models. The light curves of those systems are individually examined, but we are not able to identify any candidate that indicates evidence for rings. In turn, we find several mechanisms of false positives that would produce ringlike signals, and the null detection enables us to place upper limits on the size of the rings. Furthermore, assuming the tidal alignment between axes of the planetary rings and orbits, we conclude that the occurrence rate of rings larger than twice the planetary radius is less than 15%. Even though the majority of our targets are short-period planets, our null detection provides statistical and quantitative constraints on largely uncertain theoretical models of the origin, formation, and evolution of planetary rings.

  5. Mechanical improvement of metal reinforcement rings for a finite ring-shaped superconducting bulk (United States)

    Huang, Chen-Guang; Zhou, You-He


    As a key technique, reinforcement of type-II superconducting bulks with metal rings can efficiently improve their mechanical properties to enhance the maximum trapped field. In this paper, we study the magnetostrictive and fracture behaviors of a finite superconducting ring bulk reinforced by three typical reinforcing structures composed of metal rings during the magnetizing process by means of the minimization of magnetic energy and the finite element method. After a field-dependent critical current density is adopted, the magnetostriction, pinning-induced stress, and crack tip stress intensity factor are calculated considering the demagnetization effects. The results show that the mechanical properties of the ring bulk are strongly dependent on the reinforcing structure and the material and geometrical parameters of the metal rings. Introducing the metal ring can significantly reduce the hoop stress, and the reduction effect by internal reinforcement is much improved relative to external reinforcement. By comparison, bilateral reinforcement seems to be the best candidate structure. Only when the metal rings have particular Young's modulus and radial thickness will they contribute to improve the mechanical properties the most. In addition, if an edge crack is pre-existing in the ring bulk, the presence of metal rings can effectively avoid crack propagation since it reduces the crack tip stress intensity factor by nearly one order of magnitude.

  6. Surface roughness of Saturn's rings and ring particles inferred from thermal phase curves (United States)

    Morishima, Ryuji; Turner, Neal; Spilker, Linda


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

  7. Mechanical improvement of metal reinforcement rings for a finite ring-shaped superconducting bulk

    Directory of Open Access Journals (Sweden)

    Chen-Guang Huang


    Full Text Available As a key technique, reinforcement of type-II superconducting bulks with metal rings can efficiently improve their mechanical properties to enhance the maximum trapped field. In this paper, we study the magnetostrictive and fracture behaviors of a finite superconducting ring bulk reinforced by three typical reinforcing structures composed of metal rings during the magnetizing process by means of the minimization of magnetic energy and the finite element method. After a field-dependent critical current density is adopted, the magnetostriction, pinning-induced stress, and crack tip stress intensity factor are calculated considering the demagnetization effects. The results show that the mechanical properties of the ring bulk are strongly dependent on the reinforcing structure and the material and geometrical parameters of the metal rings. Introducing the metal ring can significantly reduce the hoop stress, and the reduction effect by internal reinforcement is much improved relative to external reinforcement. By comparison, bilateral reinforcement seems to be the best candidate structure. Only when the metal rings have particular Young’s modulus and radial thickness will they contribute to improve the mechanical properties the most. In addition, if an edge crack is pre-existing in the ring bulk, the presence of metal rings can effectively avoid crack propagation since it reduces the crack tip stress intensity factor by nearly one order of magnitude.

  8. Novel manifestations of the Aharonov-Bohm effect in quantum rings and Moebius rings

    International Nuclear Information System (INIS)

    Fomin, Vladimir M.


    - An overview is given on the recent experimental and theoretical advancements in studies of novel manifestations of the Aharonov-Bohm quantum-interference effect for excitons confined to self assembled quantum rings and other semiconductor nanostructures with ring-like states of charge carriers as well as for electrons in Moebius rings at the micro- and nanoscale. The exciton Aharonov-Bohm effect can be effectively controlled by an out-of-plane magnetic field, a vertical electric field, a spin disorder. A 'delocalization-to-localization' transition for the electron ground state occurs in a Moebius ring as it is made more inhomogeneous. (authors)

  9. Particle sizes in Saturn's rings from UVIS stellar occultations 1. Variations with ring region (United States)

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


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

  10. Stable CSR in Storage Rings: A Model

    International Nuclear Information System (INIS)

    Sannibale, F.


    A comprehensive historical view of the work done on coherent synchrotron radiation (CSR) in storage rings is given in reference [1]. Here we want just to point out that even if the issue of CSR in storage rings was already discussed over 50 years ago, it is only recently that a considerable number of observations have been reported. In fact, intense bursts of coherent synchrotron radiation with a stochastic character were measured in the terahertz frequency range, at several synchrotron light source storage rings [2-8]. It has been shown [8-11], that this bursting emission of CSR is associated with a single bunch instability, usually referred as microbunching instability (MBI), driven by the fields of the synchrotron radiation emitted by the bunch itself. Of remarkably different characteristics was the CSR emission observed at BESSY II in Berlin, when the storage ring was tuned into a special low momentum compaction mode [12, 13]. In fact, the emitted radiation was not the quasi-random bursting observed in the other machines, but a powerful and stable flux of broadband CSR in the terahertz range. This was an important result, because it experimentally demonstrated the concrete possibility of constructing a stable broadband source with extremely high power in the terahertz region. Since the publication of the first successful experiment using the ring as a CSR source [14], BESSY II has regular scheduled user's shifts dedicated to CSR experiments. At the present time, several other laboratories are investigating the possibility of a CSR mode of operation [15-17] and a design for a new ring optimized for CSR is at an advanced stage [18]. In what follows, we describe a model that first accounts for the BESSY II observations and then indicates that the special case of BESSY II is actually quite general and typical when relativistic electron storage rings are tuned for short bunches. The model provides a scheme for predicting and optimizing the performance of ring

  11. Stable CSR in storage rings: A model

    International Nuclear Information System (INIS)

    Sannibale, Fernando; Byrd, John M.; Loftsdottir, Agusta; Venturini, Marco; Abo-Bakr, Michael; Feikes, Jorge; Holldack, Karsten; Kuske, Peter; Wustefeld, Godehart; Hubers, Heinz-Willerm; Warnock, Robert


    A comprehensive historical view of the work done on coherent synchrotron radiation (CSR) in storage rings is given in reference [1]. Here we want just to point out that even if the issue of CSR in storage rings was already discussed over 50 years ago, it is only recently that a considerable number of observations have been reported. In fact, intense bursts of coherent synchrotron radiation with a stochastic character were measured in the terahertz frequency range, at several synchrotron light source storage rings [2-8]. It has been shown [8-11], that this bursting emission of CSR is associated with a single bunch instability, usually referred as microbunching instability (MBI), driven by the fields of the synchrotron radiation emitted by the bunch itself. Of remarkably different characteristics was the CSR emission observed at BESSY II in Berlin, when the storage ring was tuned into a special low momentum compaction mode [12, 13]. In fact, the emitted radiation was not the quasi-random bursting observed in the other machines, but a powerful and stable flux of broadband CSR in the terahertz range. This was an important result, because it experimentally demonstrated the concrete possibility of constructing a stable broadband source with extremely high power in the terahertz region. Since the publication of the first successful experiment using the ring as a CSR source [14], BESSY II has regular scheduled user s shifts dedicated to CSR experiments. At the present time, several other laboratories are investigating the possibility of a CSR mode of operation [15-17] and a design for a new ring optimized for CSR is at an advanced stage [18]. In what follows, we describe a model that first accounts for the BESSY II observations and then indicates that the special case of BESSY II is actually quite general and typical when relativistic electron storage rings are tuned for short bunches. The model provides a scheme for predicting and optimizing the performance of ring

  12. α-Skew π-McCoy Rings

    Directory of Open Access Journals (Sweden)

    Areej M. Abduldaim


    Full Text Available As a generalization of α-skew McCoy rings, we introduce the concept of α-skew π-McCoy rings, and we study the relationships with another two new generalizations, α-skew π1-McCoy rings and α-skew π2-McCoy rings, observing the relations with α-skew McCoy rings, π-McCoy rings, α-skew Armendariz rings, π-regular rings, and other kinds of rings. Also, we investigate conditions such that α-skew π1-McCoy rings imply α-skew π-McCoy rings and α-skew π2-McCoy rings. We show that in the case where R is a nonreduced ring, if R is 2-primal, then R is an α-skew π-McCoy ring. And, let R be a weak (α,δ-compatible ring; if R is an α-skew π1-McCoy ring, then R is α-skew π2-McCoy.

  13. On rings generating supernilpotent and special atoms | France ...

    African Journals Online (AJOL)

    We study prime rings which generate supernilpotent (respectively special) atoms, that is, atoms of the lattice of all supernilpotent (respectively special) radicals. A prime ring A is called a **-ring if the smallest special class containing A is closed under semiprime homomorphic images of A. A semiprime ring A whose every ...

  14. Rings Related to Special Atoms | France-Jackson | Quaestiones ...

    African Journals Online (AJOL)

    Abstract unavailable at this time... Mathematics Subject Classification (1991): 16A21, 16A12 Keywords: ring, special atoms, atoms, *k-ring, prime ring, *-ring, Jacobson, artinia, essential extension, homomorphic image, ideals. Quaestiones Mathematicae 24(1) 2001, 105–109 ...

  15. Temperature histories from tree rings and corals

    Energy Technology Data Exchange (ETDEWEB)

    Cook, E.R. [Tree-Ring Lab., Palisades, NY (United States)


    Recent temperature trends in long tree-ring and coral proxy temperature histories are evaluated and compared in an effort to objectively determine how anomalous twentieth century temperature changes have been. These histories mostly reflect regional variations in summer warmth from the tree rings and annual warmth from the corals. In the Northern Hemisphere. the North American tree-ring temperature histories and those from the north Polar Urals, covering the past 1000 or more years, indicate that the twentieth century has been anomalously warm relative to the past. In contrast, the tree-ring history from northern Fennoscandia indicates that summer temperatures during the {open_quote}Medieval Warm Period{close_quote} were probably warmer on average than those than during this century. In the Southern Hemisphere, the tree-ring temperature histories from South America show no indication of recent warming, which is in accordance with local instrumental records. In contrast, the tree-ring, records from Tasmania and New Zealand indicate that the twentieth century has been unusually warm particularly since 1960. The coral temperature histories from the Galapagos Islands and the Great Barrier Reef are in broad agreement with the tree-ring temperature histories in those sectors, with the former showing recent cooling and the latter showing recent warming that may be unprecedented. Overall, the regional temperature histories evaluated here broadly support the larger-scale evidence for anomalous twentieth century warming based on instrumental records. However, this warming cannot be confirmed as an unprecedented event in all regions. 38 refs., 3 figs., 2 tabs.

  16. A note on derivations in semiprime rings

    Directory of Open Access Journals (Sweden)

    Joso Vukman


    Full Text Available We prove in this note the following result. Let n>1 be an integer and let R be an n!-torsion-free semiprime ring with identity element. Suppose that there exists an additive mapping D:R→R such that D(xn=∑j=1nxn−jD(xxj−1 is fulfilled for all x∈R. In this case, D is a derivation. This research is motivated by the work of Bridges and Bergen (1984. Throughout, R will represent an associative ring with center Z(R. Given an integer n>1, a ring R is said to be n-torsion-free if for x∈R, nx=0 implies that x=0. Recall that a ring R is prime if for a,b∈R, aRb=(0 implies that either a=0 or b=0, and is semiprime in case aRa=(0 implies that a=0. An additive mapping D:R→R is called a derivation if D(xy=D(xy+xD(y holds for all pairs x,y∈R and is called a Jordan derivation in case D(x2=D(xx+xD(x is fulfilled for all x∈R. Every derivation is a Jordan derivation. The converse is in general not true. A classical result of Herstein (1957 asserts that any Jordan derivation on a prime ring with characteristic different from two is a derivation. A brief proof of Herstein's result can be found in 1988 by Brešar and Vukman. Cusack (1975 generalized Herstein's result to 2-torsion-free semiprime rings (see also Brešar (1988 for an alternative proof. For some other results concerning derivations on prime and semiprime rings, we refer to Brešar (1989, Vukman (2005, Vukman and Kosi-Ulbl (2005.

  17. Analysis list: RING1 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available RING1 Breast,Epidermis,Prostate + hg19,, http://dbarchive.biosciencedbc.j

  18. Effects of ion-carrier substituents on the potentiometric-response characteristics in anion-selective membrane electrodes based on iron porphyrins. (United States)

    Shahrokhian, Saeed; Seifi, Hassan; Bagherzadeh, Mojtaba; Mousavi, S Reza


    The potentiometric response characteristics with respect to salicylate anion of several membrane electrodes based on iron(III) tetraphenylporphyrin chloride (FeTPPCl) and derivatives with electrophilic and nucleophilic substituents, incorporated into plasticized polyvinylchloride (PVC) membranes were investigated. Complexes tetraphenyl porphyrin iron(III) chloride (FeTPPCl; A), tetrakis (4-methoxyphenyl) porphyrin iron(III) chloride (Fe(TOCH3PP)Cl; B), tetrakis (2,6-dichlorophenyl) porphyrin iron(III) chloride (Fe(TDClPP)Cl; C), tetrakis (4-nitrophenyl) porphyrin iron(III) chloride (Fe(TNO2PP)Cl; D), and tetrakis (pentafluorophenyl) porphyrin iron(III) chloride (Fe(TPFPP)Cl; E) were used as anion carriers in the membrane electrodes. The sensitivity, working range, detection limit, response mechanism, and selectivity of the membrane sensor toward interference shows a considerable dependence on the type of carrier substituent and the pH value of the sample solution. Potentiometric investigations in solutions of various pH show that the carrier complex containing fluoro substituents (E), which have very strong electron-accepting properties and a high ability to form hydrogen bonds, is capable of serving as a positively charged ionophore. Some other ionophores are capable of serving as both charged and neutral carriers under different conditions. The electrodes prepared in this work show super-Nernstian slopes with respect to salicylate concentration, which tend to a Nernstian response (slope near to -59 mV decade-1) upon an increase of the pH of the test solution. The results of UV/Vis absorption spectroscopy are used for interpretation of the formation of an oxene complex between salicylate and iron porphyrins.

  19. Quality Assurance Project Plan for Verification of Sediment Ecotoxicity Assessment Ring(SEA Ring) (United States)

    The objective of the verification is to test the efficacy and ability of the Sediment Ecotoxicity Assessment Ring (SEA Ring) to evaluate the toxicity of contaminants in the sediment, at the sediment-water interface, and WC to organisms that live in those respective environments.

  20. The combined contraceptive ring NuvaRing and spermicide co-medication. (United States)

    Haring, T; Mulders, T M T


    The effects of nonoxynol-9 on etonogestrel and ethinylestradiol release and absorption from NuvaRing were studied in 12 subjects for two cycles: one control and one interaction cycle (nonoxynol-9 was administered on day 8). Nonoxynol-9 had no effect on release or absorption and, consequently, serum levels. Therefore, nonoxynol-9 did not compromise the contraceptive efficacy of NuvaRing.

  1. Analytical model for double split ring resonators with arbitrary ring width

    DEFF Research Database (Denmark)

    Zhurbenko, Vitaliy; Jensen, Thomas; Krozer, Viktor


    For the first time, the analytical model for a double split ring resonator with unequal width rings is developed. The proposed models for the resonators with equal and unequal widths are based on an impedance matrix representation and provide the prediction of performance in a wide frequency range...

  2. Cassini UVIS Observations Show Active Saturn's Rings (United States)

    Esposito, L.; Colwell, J. E.; UVIS Team


    The Cassini Ultraviolet Imaging Spectrograph (UVIS) is part of the remote sensing payload of the NASA/ESA Cassini spacecraft. This spectrograph includes channels for extreme UV and far UV spectroscopic imaging, high speed photometry of stellar occultations, solar EUV occultation, and a hydrogen/deuterium absorption cell. We report our initial results from UVIS observations of Saturn's rings. Dynamic interactions between neutrals, ions, rings, moons and meteoroids produce a highly structured and time variable Saturn system Oxygen in the Saturn system dominates the magnetosphere. Observed fluctuations indicate close interactions with plasma sources. Stochastic events in the E ring may be the ultimate source. The spectral signature of water ice is seen on Phoebe and in Saturn's rings. Water ice is mixed non-uniformly with darker constituents. The high structure of the UV ring reflectance argues that collisional transport dominates ballistic transport in darkening the rings. Our preliminary results support the idea that rings are recycled fragments of moons: the current processes are more important than history and initial conditions. The spectra along the UVIS SOI radial scan indicate varying amounts of water ice. In the A ring, the ice fraction increases outward to a maximum at the outer edge. This large-scale variation is consistent with initially pure ice that has suffered meteoritic bombardment over the age of the Solar system (Cuzzi and Estrada 1998). We also see variations over scales of 1000 - 3000 km, which cannot be explained by this mechanism. Ballistic transport of spectrally neutral extrinsic pollutants from meteoroids striking the rings has a typical throw distance of 6000 km (Durisen et al 1989), too long to explain this finer structure. We propose a class of smaller renewal events, in which a small moon residing within the rings is shattered by an external impactor (Colwell and Esposito 1993, Barbara and Esposito 2002, Esposito and Colwell 2003). The

  3. A Summary and Status of the SNS Ring Vacuum Systems

    CERN Document Server

    Mapes, Michael; Hseuh Hsiao Chaun; Ladd, Peter; Rank, Jim; Smart, Loralie; Todd, Robert J; Weiss, Daniel


    The Spallation Neutron Source (SNS) ring is designed to accumulate high intensity protons. The SNS ring vacuum system consists of the High Energy Beam Transport (HEBT) line, Accumulator Ring and the Ring to Target Beam Transport (RTBT) line. The Accumulator ring has a circumference of 248m with 4 arcs and 4 straight sections, while the RTBT and HEBT have a total length of 350m of beam transport line. Ultrahigh vacuum of 10-9

  4. Adducts of pyridine with 7,8-dicarbo-nido-undecahydrononaborane and its iodo and bromo substituents: a comparative study of their physicochemical properties

    International Nuclear Information System (INIS)

    Volkov, O.V.; Il'inchik, E.A.; Volkov, V.V.; Voronina, G.S.; Yur'eva, O.P.


    The synthesis of bromo- and iodo substituents 7,8-C 2 B 9 H 11 xRu is accomplished and their comparative study is carried out through the methods of NMR 11 B-, PMR-, IR- and UV-spectroscopy. It is established that by introduction of halogen into carborane polyhedron there takes place increase in the acceptor capability of the latter and in the result the adduct stabilization. At the same time the introduction of halogen atom leads to sharp decrease in the intensity of the adduct fluorescence in the crystal state

  5. DFT studies for the substituent effect on the diels-alder reaction of 1,4-diaza-1,3-butadienes

    International Nuclear Information System (INIS)

    Lee, Gab Yong


    DFT calculations have been performed on several substituted 1,4-diaza-1,3-butadienes (1,4-DABs) with electron donating and withdrawing groups at the terminal two nitrogens to investigate the reactivity of Diels-Alder reaction with acrolein. The calculated FMO (Frontier Molecular orbital) energies for the optimized 1,4-disubstituted-1,4DABs have been used to explain both normal and inverse electron demand Diels-Alder reactions. It is shown that the electron donating and withdrawing substituents lead to the normal(HOMO diene controlled) and inverse electron demand (LUMO diene controlled) Diels-Alder reactions, respectively

  6. Light-Ring Stability for Ultracompact Objects (United States)

    Cunha, Pedro V. P.; Berti, Emanuele; Herdeiro, Carlos A. R.


    We prove the following theorem: axisymmetric, stationary solutions of the Einstein field equations formed from classical gravitational collapse of matter obeying the null energy condition, that are everywhere smooth and ultracompact (i.e., they have a light ring) must have at least two light rings, and one of them is stable. It has been argued that stable light rings generally lead to nonlinear spacetime instabilities. Our result implies that smooth, physically and dynamically reasonable ultracompact objects are not viable as observational alternatives to black holes whenever these instabilities occur on astrophysically short time scales. The proof of the theorem has two parts: (i) We show that light rings always come in pairs, one being a saddle point and the other a local extremum of an effective potential. This result follows from a topological argument based on the Brouwer degree of a continuous map, with no assumptions on the spacetime dynamics, and, hence, it is applicable to any metric gravity theory where photons follow null geodesics. (ii) Assuming Einstein's equations, we show that the extremum is a local minimum of the potential (i.e., a stable light ring) if the energy-momentum tensor satisfies the null energy condition.

  7. Report of the New Rings Study Group

    International Nuclear Information System (INIS)

    Holmes, S.D.; Dugan, G.; Marriner, J.


    We have taken the approach here of trying to understand both the feasibility and practicality of varied options for new rings at Fermilab, rather than trying to produce a single detailed design. In other words, this document is not a design report and should not be construed as such. Our perception of the potential needs for new rings (in order of priority) is as follows: Antiproton Storage and/or Recovery: A facility for storing up to 4 x 10 12 antiprotons is needed. Recovery of antiprotons from the collider becomes a viable option if the luminosity is indeed dominated by emittance dilution rather than beam loss. New or Post-Booster: The goal here would be to inject into the existing Main Ring above transition. Improved performance of the Main Ring would be anticipated. New Main Ring: Advantages would include better emittance preservation, a faster cycle time for antiproton production, and the removal of interference/backgrounds at the B0 and D0 detectors. We discuss in this paper various scenarios based on one or more combinations of the above possibilities. 14 figs., 10 tabs

  8. Report of the New Rings Study Group

    Energy Technology Data Exchange (ETDEWEB)

    Holmes, S.D.; Dugan, G.; Marriner, J.


    We have taken the approach here of trying to understand both the feasibility and practicality of varied options for new rings at Fermilab, rather than trying to produce a single detailed design. In other words, this document is not a design report and should not be construed as such. Our perception of the potential needs for new rings (in order of priority) is as follows: Antiproton Storage and/or Recovery: A facility for storing up to 4 x 10/sup 12/ antiprotons is needed. Recovery of antiprotons from the collider becomes a viable option if the luminosity is indeed dominated by emittance dilution rather than beam loss. New or Post-Booster: The goal here would be to inject into the existing Main Ring above transition. Improved performance of the Main Ring would be anticipated. New Main Ring: Advantages would include better emittance preservation, a faster cycle time for antiproton production, and the removal of interference/backgrounds at the B0 and D0 detectors. We discuss in this paper various scenarios based on one or more combinations of the above possibilities. 14 figs., 10 tabs.

  9. The Vibration Ring. Phase 1; [Seedling Fund (United States)

    Asnani, Vivake M.; Krantz, Timothy L.; Delap, Damon C.; Stringer, David B.


    The vibration ring was conceived as a driveline damping device to prevent structure-borne noise in machines. It has the appearance of a metal ring, and can be installed between any two driveline components like an ordinary mechanical spacer. Damping is achieved using a ring-shaped piezoelectric stack that is poled in the axial direction and connected to an electrical shunt circuit. Surrounding the stack is a metal structure, called the compression cage, which squeezes the stack along its poled axis when excited by radial driveline forces. The stack in turn generates electrical energy, which is either dissipated or harvested using the shunt circuit. Removing energy from the system creates a net damping effect. The vibration ring is much stiffer than traditional damping devices, which allows it to be used in a driveline without disrupting normal operation. In phase 1 of this NASA Seedling Fund project, a combination of design and analysis was used to examine the feasibility of this concept. Several designs were evaluated using solid modeling, finite element analysis, and by creating prototype hardware. Then an analytical model representing the coupled electromechanical response was formulated in closed form. The model was exercised parametrically to examine the stiffness and loss factor spectra of the vibration ring, as well as simulate its damping effect in the context of a simplified driveline model. The results of this work showed that this is a viable mechanism for driveline damping, and provided several lessons for continued development.

  10. Adhesion rings surround invadopodia and promote maturation

    Directory of Open Access Journals (Sweden)

    Kevin M. Branch


    Invasion and metastasis are aggressive cancer phenotypes that are highly related to the ability of cancer cells to degrade extracellular matrix (ECM. At the cellular level, specialized actin-rich structures called invadopodia mediate focal matrix degradation by serving as exocytic sites for ECM-degrading proteinases. Adhesion signaling is likely to be a critical regulatory input to invadopodia, but the mechanism and location of such adhesion signaling events are poorly understood. Here, we report that adhesion rings surround invadopodia shortly after formation and correlate strongly with invadopodium activity on a cell-by-cell basis. By contrast, there was little correlation of focal adhesion number or size with cellular invadopodium activity. Prevention of adhesion ring formation by inhibition of RGD-binding integrins or knockdown (KD of integrin-linked kinase (ILK reduced the number of ECM-degrading invadopodia and reduced recruitment of IQGAP to invadopodium actin puncta. Furthermore, live cell imaging revealed that the rate of extracellular MT1-MMP accumulation at invadopodia was greatly reduced in both integrin-inhibited and ILK-KD cells. Conversely, KD of MT1-MMP reduced invadopodium activity and dynamics but not the number of adhesion-ringed invadopodia. These results suggest a model in which adhesion rings are recruited to invadopodia shortly after formation and promote invadopodium maturation by enhancing proteinase secretion. Since adhesion rings are a defining characteristic of podosomes, similar structures formed by normal cells, our data also suggest further similarities between invadopodia and podosomes.

  11. On Stellar Flash Echoes from Circular Rings (United States)

    Nemiroff, Robert; Mukherjee, Oindabi


    A flash -- or any episode of variability -- that occurs in the vicinity of a circular ring might be seen several times later, simultaneously, as echoes on the ring. Effective images of the flash are created and annihilated in pairs, with as many as four flash images visible concurrently. Videos detailing sequences of image pair creation, tandem motion, and subsequent image annihilation are shown, given simple opacity and scattering assumptions. It is proven that, surprisingly, images from a second pair creation event always annihilate with images from the first. Caustic surfaces between flash locations yielding two and four images are computed. Although such ring echos surely occur, their practical detection might be difficult as it could require dedicated observing programs involving sensitive photometry of extended objects. Potential flash sources include planetary and interstellar gas and dust rings near and around variable stars, flare stars, novae, supernovae, and GRBs. Potentially recoverable information includes size, distance, temporal history, and angular isotropy of both the ring and flash.

  12. Dichloro-Cycloazatriphosphane: The Missing Link between N2P2and P4Ring Systems in the Systematic Development of NP Chemistry. (United States)

    Bresien, Jonas; Hinz, Alexander; Schulz, Axel; Suhrbier, Tim; Thomas, Max; Villinger, Alexander


    A dichloro-cycloazatriphosphane that incorporates a cyclic NP 3 backbone could be synthesized using knowledge gained from the chemistry of N 2 P 2 and P 4 ring systems. It fills the gap between the congeneric compounds [ClP(μ-NR)] 2 and [ClP(μ-PR)] 2 (R=sterically demanding substituent), and thus contributes to the systematic development of nitrogen-phosphorus chemistry in general. The title compound was studied with respect to its formation via a labile aminodiphosphene, which readily underwent different rearrangement reactions depending on the solvent. All compounds were fully characterized by experimental and computational methods. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Piperazines as nootropic agents: New derivatives of the potent cognition-enhancer DM235 carrying hydrophilic substituents. (United States)

    Martino, Maria Vittoria; Guandalini, Luca; Di Cesare Mannelli, Lorenzo; Menicatti, Marta; Bartolucci, Gianluca; Dei, Silvia; Manetti, Dina; Teodori, Elisabetta; Ghelardini, Carla; Romanelli, Maria Novella


    The piperazine ring of the potent nootropic drug DM235 has been decorated with H-bond donor and acceptor groups (CH 2 OH, CH 2 OMe, CH 2 OCOMe, COOEt); the aim was to insert new functional groups, suitable for further chemical manipulation. The influence of these modifications on nootropic activity was assessed by means of the mouse passive avoidance test; some of the newly synthesized molecules (alcohol 7b, acetate 8b and ester 10d) showed interesting in vivo potency. This makes it possible to use these functional groups for adding other residues, in order to increase molecular diversity, or for anchoring a biotin group, to obtain compounds useful to capture the biological target. Moreover, the new compounds will improve our knowledge of structure activity relationships of this family of drugs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Synthesis and electrochemical and in situ spectroelectrochemical characterization of manganese, vanadyl, and cobalt phthalocyanines with 2-naphthoxy substituents

    International Nuclear Information System (INIS)

    Ozcesmeci, Ibrahim; Koca, Atif; Guel, Ahmet


    Highlights: → Metallo (Mn, Co, VO) phthalocyanines bearing peripheral 2-naphthoxy-groups were synthesized by cyclotetramerisation of the corresponding phthalonitrile derivative. → Incorporation of the redox active metal ions into the phthalocyanine core extends the redox capabilities of the Pc ring. → The presence of O 2 in the electrolyte system influences both oxygen reduction reaction and the electrochemical and spectral behaviors of the complexes. → Homogeneous catalytic ORR process occurs via an 'inner sphere' chemical catalysis process. - Abstract: Metallo (Mn, Co, VO) phthalocyanines bearing peripheral 2-naphthoxy groups were synthesized by cyclotetramerisation of the corresponding phthalonitrile derivative. The phthalocyanine compounds were characterized by elemental analyses, mass, FT-IR and UV-vis spectral data. Three intense bands in the electronic spectra clearly indicate the absorptions resulting from naphthyl groups along with the Q and B bands of the phthalocyanines. Electrochemical and spectroelectrochemical measurements exhibit that incorporation of redox active metal ions, Co II and Mn III , into the phthalocyanine core extends the redox capabilities of the Pc ring including the metal-based reduction and oxidation couples of the metal. Presence of molecular oxygen in the electrolyte system affects the voltammetric and spectroelectrochemical responses of the cobalt and manganese phthalocyanines due to the interaction between the complexes and molecular oxygen. Interaction reaction of oxygen with CoPc occurs via an 'inner sphere' chemical catalysis process. While CoPc gives the intermediates [O 2 - -Co II Pc -2 ] - and [O 2 2 -Co II Pc -2 ] 2- , MnPc forms μ-oxo MnPc species. An in situ electrocolorimetric method has been applied to investigate the color of the electro-generated anionic and cationic forms of the complexes for possible electrochromatic applications.

  15. Sphagnum moss disperses spores with vortex rings. (United States)

    Whitaker, Dwight L; Edwards, Joan


    Sphagnum spores, which have low terminal velocities, are carried by turbulent wind currents to establish colonies many kilometers away. However, spores that are easily kept aloft are also rapidly decelerated in still air; thus, dispersal range depends strongly on release height. Vascular plants grow tall to lift spores into sufficient wind currents for dispersal, but nonvascular plants such as Sphagnum cannot grow sufficiently high. High-speed videos show that exploding capsules of Sphagnum generate vortex rings to efficiently carry spores high enough to be dispersed by turbulent air currents. Spores launched ballistically at similar speeds through still air would travel a few millimeters and not easily reach turbulent air. Vortex rings are used by animals; here, we report vortex rings generated by plants.

  16. Algebraic coding theory over finite commutative rings

    CERN Document Server

    Dougherty, Steven T


    This book provides a self-contained introduction to algebraic coding theory over finite Frobenius rings. It is the first to offer a comprehensive account on the subject. Coding theory has its origins in the engineering problem of effective electronic communication where the alphabet is generally the binary field. Since its inception, it has grown as a branch of mathematics, and has since been expanded to consider any finite field, and later also Frobenius rings, as its alphabet. This book presents a broad view of the subject as a branch of pure mathematics and relates major results to other fields, including combinatorics, number theory and ring theory. Suitable for graduate students, the book will be of interest to anyone working in the field of coding theory, as well as algebraists and number theorists looking to apply coding theory to their own work.

  17. Numerical Simulation of Piston Ring Lubrication

    DEFF Research Database (Denmark)

    Felter, Christian Lotz


    and the angle between the normals of the solid and the free surface. The numerical model is compared with the results from an analytical solution of Reynolds equation for a fixed incline slider bearing. Then results from a more compli- cated simulation of piston ring lubrication is given and discussed.......This paper describes a numerical method that can be used to model the lubrication of piston rings. Classical lubrication theory is based on the Reynolds equation which is ap- plicable to confined geometries and open geometries where the flooding conditions are known. Lubrication of piston rings...... on solids and the equilibrium of stresses on the free surface. It is assumed that the surrounding gas phase has zero viscosity. Surface tension can be included in the model if necessary. The contact point where the three phases solid, liquid, and gas intersect is updated based on the velocity of the solid...

  18. Interferometric output coupling of ring optical oscillators. (United States)

    Chaitanya Kumar, S; Esteban-Martin, A; Ebrahim-Zadeh, M


    We demonstrate the successful deployment of an antiresonant ring (ARR) interferometer within a ring optical resonator and its use for absolute optimization of output power. The integration of the ARR interferometer in a folded arm of the ring oscillator provides continuously variable output coupling over broad spectral range and under any operating conditions. We demonstrate the technique using a picosecond optical parametric oscillator (OPO), where we show continuously adjustable output coupling and optimization of the output power for different pump power conditions, from 3.5 W to 13.5 W. By operating the OPO under an optimized output coupling at 14 W of pump power, we obtain >5 W of extracted signal power, more than 2.6 times that with a ~5% conventional output coupler. We also show that the inclusion of the ARR interferometer has no detrimental effect on the spatial, temporal, and spectral characteristics of OPO output.

  19. Tree ring record chronicles major Mesoamerican droughts (United States)

    Tretkoff, Ernie


    A new tree ring record chronicles major Mesoamerican droughts in the past millennium that may have contributed to the decline of some pre-Hispanic civilizations. Although there is other evidence of droughts during the past millennium, the paleoclimate record had gaps. Stahle et al. used core samples from Montezuma bald cypress trees found in Barranca de Amealco, Querétaro, Mexico, to develop a 1238-year tree ring chronology. They reconstructed the soil moisture record from the tree ring growth patterns. The new record provides the first dated, annually resolved climate record for Mexico and Central America spanning this time period.(Geophysical Research Letters, doi:10.1029/2010GL046472, 2011)

  20. Amplitude-modulated fiber-ring laser

    DEFF Research Database (Denmark)

    Caputo, J. G.; Clausen, Carl A. Balslev; Sørensen, Mads Peter


    Soliton pulses generated by a fiber-ring laser are investigated by numerical simulation and perturbation methods. The mathematical modeling is based on the nonlinear Schrödinger equation with perturbative terms. We show that active mode locking with an amplitude modulator leads to a self-starting......Soliton pulses generated by a fiber-ring laser are investigated by numerical simulation and perturbation methods. The mathematical modeling is based on the nonlinear Schrödinger equation with perturbative terms. We show that active mode locking with an amplitude modulator leads to a self......-starting of stable solitonic pulses from small random noise, provided the modulation depth is small. The perturbative analysis leads to a nonlinear coupled return map for the amplitude, phase, and position of the soliton pulses circulating in the fiber-ring laser. We established the validity of this approach...