π-face donation from the aromatic N-substituent of N-heterocyclic carbene ligands to metal and its role in catalysis

KAUST Repository

Credendino, Raffaele

2012-05-16

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.

One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.

Science.gov (United States)

Tam, Teck Lip; Li, Hairong; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Lam, Yeng Ming; Mhaisalkar, Subodh G; Grimsdale, Andrew C

2010-08-06

A one-step synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole with use of 1,2,4,5-tetraaminobenzene tetrahydrobromide and thionyl bromide in good yield is reported. This unit can then be used in the synthesis of low bandgap materials via palladium-catalyzed coupling reactions. The approach offers a quick and easy way to prepare low bandgap materials as compared to the current literature methods.

Organic superalkalis with closed-shell structure and aromaticity

Science.gov (United States)

Srivastava, Ambrish Kumar

2018-06-01

Benzene (C6H6) and polycyclic hydrocarbons such as naphthalene (C10H8), anthracene (C14H10) and coronene (C24H12) are well known aromatic organic compounds. We study the substitution of Li replacing all H-atoms in these hydrocarbons using density functional method. The vertical ionisation energy of such lithiated species, i.e. C6Li6, C10Li8, C14Li10 and C24Li12 ranges 4.24-4.50 eV, which is lower than the ionisation energy (IE) of Li atom. Thus, these species may behave as superalkalis due to their lower IE than alkali metal. However, these lithiated species possess planar and closed-shell structure, unlike typical superalkalis. Furthermore, all Li-substituted species are aromatic although their degree of aromaticity is reduced as compared to corresponding hydrocarbon analogues. We have further explored the structure of C6Li6 as star-like, unlike its inorganic analogue B3N3Li6, which appears as fan-like structure. We have also demonstrated that the interaction of C6Li6 with a superhalogen (such as BF4) is similar to that of a typical superalkali (such as OLi3). This may further suggest that the proposed lithiated species may form a new class of closed-shell organic superalkalis with aromaticity.

Observation of non-statistical structures in the excitation function of the reaction 10B(14N,12C)12C under extreme forward angles

International Nuclear Information System (INIS)

Klauss, E.U.

1984-01-01

In the present thesis the excitation functions of the reaction 10 B( 14 N, 12 C) 12 C to the ground states, the first excited state at 4.43 MeV (Jsup(π) = 2 1 + ) of a 12 C residual nucleus, and to the double excitation of ejectile and residue nucleus to the 4.43 state are studied. The measurements were performed in an energy range 13MeV 14 N) 0 (in the c.m. system). By a fitting to elastic scattering data the optical potential for 10 B+ 14 N was determined. With this potential it was tried by means of Hauser-Feshbach calculations to calculate the cross sections of the reaction 10 B( 14 N, 12 C) 12 C. The strong 16 + resonance and indications of 18 + in the excitation function of the reaction 10 B( 14 N, 12 Csub(g.s.)) 12 Csub(g.s.) should be pronounced. An unexpected large cross section was observed in the reaction 10 B( 14 N, 12 Csub(g.s.)) 12 C(4 1 + ). This is considered as a further indication to the strong contribution of a direct process. (orig./HSI) [de

Palladium-catalysed electrophilic aromatic C-H fluorination

Science.gov (United States)

Yamamoto, Kumiko; Li, Jiakun; Garber, Jeffrey A. O.; Rolfes, Julian D.; Boursalian, Gregory B.; Borghs, Jannik C.; Genicot, Christophe; Jacq, Jérôme; van Gastel, Maurice; Neese, Frank; Ritter, Tobias

2018-02-01

Aryl fluorides are widely used in the pharmaceutical and agrochemical industries, and recent advances have enabled their synthesis through the conversion of various functional groups. However, there is a lack of general methods for direct aromatic carbon-hydrogen (C-H) fluorination. Conventional methods require the use of either strong fluorinating reagents, which are often unselective and difficult to handle, such as elemental fluorine, or less reactive reagents that attack only the most activated arenes, which reduces the substrate scope. A method for the direct fluorination of aromatic C-H bonds could facilitate access to fluorinated derivatives of functional molecules that would otherwise be difficult to produce. For example, drug candidates with improved properties, such as increased metabolic stability or better blood-brain-barrier penetration, may become available. Here we describe an approach to catalysis and the resulting development of an undirected, palladium-catalysed method for aromatic C-H fluorination using mild electrophilic fluorinating reagents. The reaction involves a mode of catalysis that is unusual in aromatic C-H functionalization because no organometallic intermediate is formed; instead, a reactive transition-metal-fluoride electrophile is generated catalytically for the fluorination of arenes that do not otherwise react with mild fluorinating reagents. The scope and functional-group tolerance of this reaction could provide access to functional fluorinated molecules in pharmaceutical and agrochemical development that would otherwise not be readily accessible.

Isotopic signatures (13C/12C; 15N/14N) of blue penguin burrow soil invertebrates : carbon sources and trophic relationships

International Nuclear Information System (INIS)

Hawke, D.J.; Clark, J.M.

2010-01-01

Seabird burrows provide a soil environment for processing discards such as feathers and guano, hence constituting a primary interface between the sea and the land. This study involved collection and culturing of soil invertebrates from three blue penguin (Eudyptula minor) burrows, and examined their 13 C/ 12 C and 15 N/ 14 N isotopic composition in relation to potential burrow resources (terrestrial plant litter, burrow soil, guano, blue penguin feathers). Two taxa (cerylonid beetles and small tineid moth larvae) had a depleted 13 C/ 12 C indicative of a level of dependence on C from terrestrial soil. Tineid moth larvae (Monopis crocicapitella and (or) M. ethelella) substantially increased their 13 C/ 12 C enrichment during development, implying increasing dependence on marine C. Remaining taxa, both decomposers and predators, had 13 C/ 12 C intermediate between guano and feathers. Larval and emergent fleas had the most enriched 13 C/ 12 C , indicative of a greater dependence on feather C and the likelihood of co-processing with guano. Pseudoscorpions and histerid beetles had overlapping isotopic enrichments implying competition for prey, but were spatially separated in burrow soil. With their highly enriched 15 N/ 14 N and marine 13 C/ 12 C, larvae and protonymphs of the histiostomatid mite Myianoetus antipodus stood alone. Blue penguin burrows therefore support a diverse invertebrate fauna that incorporates terrestrial soil as well as varying proportions of the various blue penguin discards. (author). 45 refs., 1 fig., 1 tab.

Excited states in 22Mg via the 12C(12C,2n)22Mg reaction

International Nuclear Information System (INIS)

Jewett, Cybele; Baktash, Cyrus; Bardayan, Daniel W.; Blackmon, Jeff C.; Chipps, K.; Galindo-Uribarri, Alfredo; Greife, U.; Gross, Carl J.; Jones, K. L.; Liang, Junjien; Livesay, Jake; Kozub, R. L.; Nesaraja, Caroline D; Radford, David C.; Sarazin, F.; Smith, Michael Scott; Thomas, J. S.; Yu, Chang-Hong

2007-01-01

The 12C(12C, 2n)22Mg reaction was measured with the CLARION array and the RMS separator at the Holifield Facility of Oak Ridge National Laboratory. This experiment was performed to gather more information on the excited states in 22Mg, which might be of relevance to recent radioactive ion beam measurements of the astrophysically important 21Na(p,γ)22Mg reaction. The results are compared to direct measurements, transfer experiments and a competing experiment performed with Gammasphere

Synthesis of g-C3N4/Fe3O4 nanocomposites and application as a new sorbent for solid phase extraction of polycyclic aromatic hydrocarbons in water samples.

Science.gov (United States)

Wang, Man; Cui, Shihai; Yang, Xiaodi; Bi, Wentao

2015-01-01

An easy preparation of g-C3N4/Fe3O4 nanocomposites by chemical co-precipitation has been demonstrated. The as-prepared materials were characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis. The high affinity of g-C3N4 toward polycyclic aromatic hydrocarbons and the magnetic behavior of Fe3O4 were combined to provide an efficient and simple magnetic solid phase extraction (MSPE). The adsorption and desorption of polycyclic aromatic hydrocarbons on g-C3N4/Fe3O4 were examined. Different factors affecting the magnetic solid phase extraction of polycyclic aromatic hydrocarbons were assessed in terms of adsorption, desorption, and recovery. Under the optimized conditions, the proposed method showed good limits of detection (LOD, S/N=3) in the range of 0.05-0.1 ng mL(-1) and precision in the range of 1.8-5.3% (RSDs, n=3). This method was also successfully applied to the analysis of real water samples; good spiked recoveries over the range of 80.0-99.8% were obtained. Copyright © 2014 Elsevier B.V. All rights reserved.

Hemoglobin binding of aromatic amines: molecular dosimetry and quantitative structure-activity relationships for N-oxidation.

Science.gov (United States)

Sabbioni, G

1993-01-01

Aromatic amines are important intermediates in industrial manufacturing. N-Oxidation to N-hydroxyarylamines is a key step in determining the genotoxic properties of aromatic amines. N-Hydroxyarylamines can form adducts with DNA, with tissue proteins, and with the blood proteins albumin and hemoglobin in a dose-dependent manner. The determination of hemoglobin adducts is a useful tool for biomonitoring exposed populations. We have established the hemoglobin binding index (HBI) [(mmole compound/mole hemoglobin)/(mmole compound/kg body weight)] of several aromatic amines in female Wistar rats. Including the values from other researchers obtained in the same rat strain, the logarithm of hemoglobin binding (logHBI) was plotted against the following parameters: the sum of the Hammett constants(sigma sigma = sigma p + sigma m), pKa, logP (octanol/water), the half-wave oxidation potential (E1/2), and the electronic descriptors of the amines and their corresponding nitrenium ions obtained by semi-empirical calculations (MNDO, AMI, and PM3), such as atomic charge densities, energies of the highest occupied molecular orbit and lowest occupied molecular orbit and their coefficients, the bond order of C-N, the dipole moments, and the reaction enthalpy [MNDOHF, AM1HF or PM3HF = Hf(nitrenium) - Hf(amine)]. The correlation coefficients were determined from the plots of all parameters against log HBI for all amines by means of linear regression analysis. The amines were classified in three groups: group 1, all parasubstituted amines (maximum, n = 9); group 2, all amines with halogens (maximun, n = 11); and group 3, all amines with alkyl groups (maximum, n = 13).(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8319626

12C(n , 2 n )11C cross section from threshold to 26.5 MeV

Science.gov (United States)

Yuly, M.; Eckert, T.; Hartshaw, G.; Padalino, S. J.; Polsin, D. N.; Russ, M.; Simone, A. T.; Brune, C. R.; Massey, T. N.; Parker, C. E.; Fitzgerald, R.; Sangster, T. C.; Regan, S. P.

2018-02-01

The 12C(n ,2 n )11C cross section was measured from just below threshold to 26.5 MeV using the Pelletron accelerator at Ohio University. Monoenergetic neutrons, produced via the 3H(d ,n )4He reaction, were allowed to strike targets of polyethylene and graphite. Activation of both targets was measured by counting positron annihilations resulting from the β+ decay of 11C. Annihilation gamma rays were detected, both in coincidence and singly, using back-to-back NaI detectors. The incident neutron flux was determined indirectly via 1H(n ,p ) protons elastically scattered from the polyethylene target. Previous measurements fall into upper and lower bands; the results of the present measurement are consistent with the upper band.

Endogenous n-3 Polyunsaturated Fatty Acids Delay Progression of Pancreatic Ductal Adenocarcinoma in Fat-1-p48Cre/+-LSL-KrasG12D/+ Mice

Directory of Open Access Journals (Sweden)

Altaf Mohammed

2012-12-01

Full Text Available Preclinical studies suggest that diets rich in omega-3 polyunsaturated fatty acids (n-3 PUFAs may be beneficial for prevention of pancreatic cancer. Nutritional intervention studies are often complex, and there is no clear evidence, without potential confounding factors, on whether conversion of n-6 PUFAs to n-3 PUFAs in pancreatic tissues would provide protection. Experiments were designed using n-3 fatty acid desaturase (Fat-1 transgenic mice, which can convert n-6 PUFA to n-3 FAs endogenously, to determine the impact of n-3 PUFAs on pancreatic intraepithelial neoplasms (PanINs and their progression to pancreatic ductal adenocarcinoma (PDAC. Six-weekold female p48Cre/+-LSL-KrasG12D/+ andcompoundFat-1-p48Cre/+-LSL-KrasG12D/+ mice were fed (AIN-76A diets containing 10% safflower oil for 35 weeks. Pancreata were evaluated histopathologically for PanINs and PDAC. Results showed a dramatic reduction in incidence of PDAC (84%; P 85%; P < .05–0.01 in pancreas of compound transgenic mice than in those of p48Cre/+-LSL-KrasG12D/+ mice. Molecular analysis of the pancreas showed a significant down-regulation of proliferating cell nuclear antigen, cyclooxygenase-2, 5-lipoxygenase (5-LOX, 5-LOX-activating protein, Bcl-2, and cyclin D1 expression levels in Fat-1-p48Cre/+-LSL-KrasG12D/+ mice compared to p48Cre/+-LSL-KrasG12D/+ mice. These data highlight the promise of dietary n-3 FAs for chemoprevention of pancreatic cancer in high-risk individuals.

Benzo-thia-fused [n]Thienoacenequinodimethanes with Small to Moderate Diradical Characters: The Role of Pro-aromaticity versus Anti-aromaticity

KAUST Repository

Shi, Xueliang

2016-01-19

Open-shell singlet diradicaloids recently have received much attention due to their unique optical, electronic and magnetic properties and promising applications in materials science. Among various diradicaloids, quinoidal π-conjugated molecules have become the prevailing designs. However, there still lacks fundamental understanding on how the fusion mode and pro-aromaticity/anti-aromaticity affect their diradical character and physical properties. In this work, a series of pro-aromatic benzo-thia-fused [n]thienoacenequinodimethanes (Thn-TIPS (n=1-3) and BDTh-TIPS) were synthesized and compared with the previously reported anti-aromatic bisindeno-[n]thienoacenes (Sn-TIPS, n=1-4). The ground-state geometric and electronic structures of these new quinoidal molecules were systematically investigated by X-ray crystallographic analysis, variable temperature NMR, ESR, SQUID, Raman, and electronic absorption spectroscopy, assisted by DFT calculations. It was found that the diradical character index (y0) increased from nearly zero for Th1-TIPS to 2.4% for Th2-TIPS, 18.2% for Th3-TIPS, and 38.2% for BDTh-TIPS, due to the enhanced aromatic stabilization. Consequently, with the extension of molecular size, the one-photon absorption spectra are gradually red-shifted, the two-photon absorption (TPA) cross section values increase, and the singlet excited state lifetimes decrease. By comparison with the corresponding anti-aromatic analogues Sn-TIPS (n=1-3), the pro-aromatic Thn-TIPS (n=1-3) exhibit larger diradical character, longer singlet excited state lifetime and larger TPA cross section value. At the same time, they display distinctively different electronic absorption spectra and improved electrochemical amphotericity. Spectroelectrochemical studies revealed a good linear relationship between the optical energy gaps and the molecular length in the neutral, radical cationic and dicationic forms. Our research work disclosed the significant difference between the pro-aromatic

Benzo-thia-fused [n]Thienoacenequinodimethanes with Small to Moderate Diradical Characters: The Role of Pro-aromaticity versus Anti-aromaticity

KAUST Repository

Shi, Xueliang; Quintero, EstefanÍ a; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; Ló pez Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan

2016-01-01

Open-shell singlet diradicaloids recently have received much attention due to their unique optical, electronic and magnetic properties and promising applications in materials science. Among various diradicaloids, quinoidal π-conjugated molecules have become the prevailing designs. However, there still lacks fundamental understanding on how the fusion mode and pro-aromaticity/anti-aromaticity affect their diradical character and physical properties. In this work, a series of pro-aromatic benzo-thia-fused [n]thienoacenequinodimethanes (Thn-TIPS (n=1-3) and BDTh-TIPS) were synthesized and compared with the previously reported anti-aromatic bisindeno-[n]thienoacenes (Sn-TIPS, n=1-4). The ground-state geometric and electronic structures of these new quinoidal molecules were systematically investigated by X-ray crystallographic analysis, variable temperature NMR, ESR, SQUID, Raman, and electronic absorption spectroscopy, assisted by DFT calculations. It was found that the diradical character index (y0) increased from nearly zero for Th1-TIPS to 2.4% for Th2-TIPS, 18.2% for Th3-TIPS, and 38.2% for BDTh-TIPS, due to the enhanced aromatic stabilization. Consequently, with the extension of molecular size, the one-photon absorption spectra are gradually red-shifted, the two-photon absorption (TPA) cross section values increase, and the singlet excited state lifetimes decrease. By comparison with the corresponding anti-aromatic analogues Sn-TIPS (n=1-3), the pro-aromatic Thn-TIPS (n=1-3) exhibit larger diradical character, longer singlet excited state lifetime and larger TPA cross section value. At the same time, they display distinctively different electronic absorption spectra and improved electrochemical amphotericity. Spectroelectrochemical studies revealed a good linear relationship between the optical energy gaps and the molecular length in the neutral, radical cationic and dicationic forms. Our research work disclosed the significant difference between the pro-aromatic

N,N′-Bis(3-chloro-2-fluorobenzylideneethane-1,2-diamine

Directory of Open Access Journals (Sweden)

Reza Kia

2008-10-01

Full Text Available The molecule of the title centrosymmetric Schiff base compound, C16H12Cl2F2N2, adopts an E configuration with respect to the azomethine C=N bond. The imino groups are coplanar with the aromatic rings. Within the molecule, the planar units are parallel, but extend in opposite directions from the dimethylene bridge. An interesting feature of the crystal structure is the short intermolecular Cl...F [3.1747 (5 Å] interactions, which are shorter than the sum of the van der Waals radii of these atoms. These interactions link neighbouring molecules along the b axis. The crystal structure is further stabilized by π–π interactions, with a centroid–centroid distance of 3.5244 (4 Å.

The 12C(n, 2n)11C cross section from threshold to 26.5 MeV.

Science.gov (United States)

Yuly, M; Eckert, T; Hartshaw, G; Padalino, S J; Polsin, D N; Russ, M; Simone, A T; Brune, C R; Massey, T N; Parker, C E; Fitzgerald, R; Sangster, T C; Regan, S P

2018-02-01

The 12 C(n, 2n) 11 C cross section was measured from just below threshold to 26.5 MeV using the Pelletron accelerator at Ohio University. Monoenergetic neutrons, produced via the 3 H(d,n) 4 He reaction, were allowed to strike targets of polyethylene and graphite. Activation of both targets was measured by counting positron annihilations resulting from the β + decay of 11 C. Annihilation gamma rays were detected, both in coincidence and singly, using back-to-back NaI detectors. The incident neutron flux was determined indirectly via 1 H(n,p) protons elastically scattered from the polyethylene target. Previous measurements fall into upper and lower bands; the results of the present measurement are consistent with the upper band.

48 CFR 1201.301-70 - Amendment of (TAR) 48 CFR chapter 12.

Science.gov (United States)

2010-10-01

...) 48 CFR chapter 12 is maintained by the SPE through the TAR/TAM change process. This process consists... (C) To issue guidance which may be effective for a period of 1 year or less. (ii) Each TN will expire...

Integral measurement of the $^{12}$C(n,p)$^{12}$B reaction up to 10 GeV

CERN Document Server

Žugec, P; Bosnar, D; Ventura, A; Mengoni, A; Altstadt, S; Andrzejewski, J; Audouin, L; Barbagallo, M; Bécares, V; Bečvář, F; Belloni, F; Berthoumieux, E; Billowes, J; Boccone, V; Brugger, M; Calviani, M; Calviño, F; Cano-Ott, D; Carrapiço, C; Cerutti, F; Chiaveri, E; Chin, M; Cortés, G; Cortés-Giraldo, M.A; Cosentino, L; Diakaki, M; Domingo-Pardo, C; Dressler, R; Duran, I; Eleftheriadis, C; Ferrari, A; Finocchiaro, P; Fraval, K; Ganesan, S; García, A R; Giubrone, G; Gómez-Hornillos, M B; Gonçalves, I F; González-Romero, E; Griesmayer, E; Guerrero, C; Gunsing, F; Gurusamy, P; Heinitz, S; Jenkins, D G; Jericha, E; Käppeler, F; Karadimos, D; Kivel, N; Kokkoris, M; Krtička, M; Kroll, J; Langer, C; Lederer, C; Leeb, H; Leong, L S; Meo, S Lo; Losito, R; Manousos, A; Marganiec, J; Martínez, T; Massimi, C; Mastinu, P; Mastromarco, M; Mendoza, E; Milazzo, P M; Mingrone, F; Mirea, M; Mondalaers, W; Musumarra, A; Paradela, C; Pavlik, A; Perkowski, J; Plompen, A; Praena, J; Quesada, J; Rauscher, T; Reifarth, R; Riego, A; Roman, F; Rubbia, C; Sarmento, R; Saxena, A; Schillebeeckx, P; Schmidt, S; Schumann, D; Tagliente, G; Tain, J L; Tarrío, D; Tassan-Got, L; Tsinganis, A; Valenta, S; Vannini, G; Variale, V; Vaz, P; Versaci, R; Vermeulen, M J; Vlachoudis, V; Vlastou, R; Wallner, A; Ware, T; Weigand, M; Weiß, C; Wright, T

2016-01-01

The integral measurement of the $^{12}$C(n,p)$^{12}$B reaction was performed at the neutron time of flight facility n_TOF at CERN. The total number of $^{12}$B nuclei produced per neutron pulse of the n_TOF beam was determined using the activation technique in combination with a time of flight technique. The cross section is integrated over the n_TOF neutron energy spectrum from reaction threshold at 13.6 MeV to 10 GeV. Having been measured up to 1 GeV on basis of the $^{235}$U(n,f) reaction, the neutron energy spectrum above 200 MeV has been reevaluated due to the recent extension of the cross section reference for this particular reaction, which is otherwise considered a standard up to 200 MeV. The results from the dedicated GEANT4 simulations have been used to evaluate the neutron flux from 1 GeV up to 10 GeV. The experimental results related to the $^{12}$C(n,p)$^{12}$B reaction are compared with the evaluated cross sections from major libraries and with the predictions of different GEANT4 models, which m...

Investigation of the 9Be(a,n)12C reaction. Pt. 2

International Nuclear Information System (INIS)

Schmidt, D.; Boettger, R.; Klein, H.; Nolte, R.

1992-04-01

Differential cross sections of the 9 Be(α,n) 12 C reaction have been measured at 19 alpha energies between 7 MeV and 16 MeV. Besides the differential cross sections from the 9 Be(α,n) 12 C(g.s.) reaction, also those of the 9 Be(α,n) 12 C(E ex ) reactions were derived for excitation energies E ex = 4.439, 7.654, 9.641, 10.84, 11.83 and 12.71 MeV. Possible sources of uncertainties have been extensively investigated and the corresponding results have been published in part 1. All partial and integrated cross sections from the 9 Be(α,n) 12 C(g.s.) reaction were determined with uncertainties of less than 5%. The angular distributions were fitted to Legendre polynomial expansions by the least-squares method. A comparison of the measured cross sections with data from other authors and with an evaluation shows considerable deviations in some cases. Tests were also carried out to ascertain how well an interpolation of the Legendre coefficients reproduces the magnitude and shape of the experimentally determined angular distributions. All angular distributions are presented in figures, together with their Legendre polynomial expansions and data from the literature if available. The a l coefficients of the Legendre polynomial expansions are given in the Appendix. (orig.) [de

THE {sup 12}C + {sup 12}C REACTION AND THE IMPACT ON NUCLEOSYNTHESIS IN MASSIVE STARS

Energy Technology Data Exchange (ETDEWEB)

Pignatari, M. [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Hirschi, R.; Bennett, M. [Astrophysics Group, EPSAM Institute, Keele University, Keele, ST5 5BG (United Kingdom); Wiescher, M.; Beard, M. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States); Gallino, R. [Universita' di Torino, Torino, Via Pietro Giuria 1, I-10126 Torino (Italy); Fryer, C.; Rockefeller, G. [Computational Physics and Methods (CCS-2), LANL, Los Alamos, NM 87545 (United States); Herwig, F.; Timmes, F. X., E-mail: marco.pignatari@unibas.ch [The Joint Institute for Nuclear Astrophysics, Notre Dame, IN 46556 (United States)

2013-01-01

Despite much effort in the past decades, the C-burning reaction rate is uncertain by several orders of magnitude, and the relative strength between the different channels {sup 12}C({sup 12}C, {alpha}){sup 20}Ne, {sup 12}C({sup 12}C, p){sup 23}Na, and {sup 12}C({sup 12}C, n){sup 23}Mg is poorly determined. Additionally, in C-burning conditions a high {sup 12}C+{sup 12}C rate may lead to lower central C-burning temperatures and to {sup 13}C({alpha}, n){sup 16}O emerging as a more dominant neutron source than {sup 22}Ne({alpha}, n){sup 25}Mg, increasing significantly the s-process production. This is due to the chain {sup 12}C(p, {gamma}){sup 13}N followed by {sup 13}N({beta} +){sup 13}C, where the photodisintegration reverse channel {sup 13}N({gamma}, p){sup 12}C is strongly decreasing with increasing temperature. Presented here is the impact of the {sup 12}C+{sup 12}C reaction uncertainties on the s-process and on explosive p-process nucleosynthesis in massive stars, including also fast rotating massive stars at low metallicity. Using various {sup 12}C+{sup 12}C rates, in particular an upper and lower rate limit of {approx}50,000 higher and {approx}20 lower than the standard rate at 5 Multiplication-Sign 10{sup 8} K, five 25 M {sub Sun} stellar models are calculated. The enhanced s-process signature due to {sup 13}C({alpha}, n){sup 16}O activation is considered, taking into account the impact of the uncertainty of all three C-burning reaction branches. Consequently, we show that the p-process abundances have an average production factor increased up to about a factor of eight compared with the standard case, efficiently producing the elusive Mo and Ru proton-rich isotopes. We also show that an s-process being driven by {sup 13}C({alpha}, n){sup 16}O is a secondary process, even though the abundance of {sup 13}C does not depend on the initial metal content. Finally, implications for the Sr-peak elements inventory in the solar system and at low metallicity are

Cluster correlation effects in 12C+12C and 14N+10B fusion-evaporation reactions

Directory of Open Access Journals (Sweden)

Morelli L.

2015-01-01

Full Text Available The decay of highly excited states of 24Mg is studied in fusion evaporation events completely detected in charge in the reactions 12C+12C and 14N+10B at 95 and 80 MeV incident energy respectively. The comparison of light charged particles measured spectra with statistical model predictions suggests that the dominant reaction mechanism is compound nucleus (CN formation and decay. However, in both reactions, a discrepancy with statistical expectations is found for α particles detected in coincidence with Carbon, Oxigen and Neon residues. The comparison between the two reactions shows that this discrepancy is only partly explained by an entrance channel effect. Evidence for cluster correlations in excited 24Mg CN is suggested by the comparison between the measured and calculated branching ratios for the channels involving α particles.

On-line measurement of 13C/12C and 15N/14N ratios by E/A-diluter-IRMS

International Nuclear Information System (INIS)

Foerstel, H.; Boner, M.; Prast, H.

2001-01-01

Efficient food control requires rapid procedures for testing source authenticity. Food is produced inside a closed 'isotopic environment' from where it inherits a specific isotopic composition or fingerprint. Isotope ratio mass spectrometry (IRMS) measures isotopic compositions using simple gases like CO 2 or N 2 exclusively. From food samples these gases may be produced by combustion in a commercial CHN analyser (Elemental Analyser, EA). Following GC separation of the combustion gases the elemental content is determined using a thermal conductivity detector (TCD) . The effluent of the EA is coupled to the mass spectrometer via an open split. Because the relative amounts of the bio-elements vary significantly, (often C/N is 25/1 or larger), the amount of analyte gas produced from a single sample must be adjusted e.g. using a diluter. Our diluter configuration can be adjusted to measure repeatedly the 13 C/ 12 C ratio of carbon dioxide in mineral waters, as well as to measure 15 N/ 14 N and 13 C/ 12 C ratios from biological or soil samples simultaneously. In the first application different types of carbon dioxide, produced naturally (well) or technically (process), can be distinguished. The second application offers the possibility to trace the fate of a fertilizer in vineyards by determining the isotopic variation of nitrogen and carbon in soil and vines. (author)

Evaluation of n-{sup 12}C scattering between 7 and 26 MeV

Energy Technology Data Exchange (ETDEWEB)

Chen, Z P; Tornow, W [Department of Physics, Duke University, Durham, NC 27708-0308 (United States); Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States)

2005-11-01

The existing n-{sup 12}C elastic differential cross-section, analysing power and total cross-section data in the energy range from 7 to 26 MeV were analysed via a phase-shift analysis. A very good description of the uniquely large database has been achieved. The level parameters of 40 states or resonances in {sup 13}C were deduced. The values obtained for the n-{sup 12}C reaction cross section are larger than those given in the ENDF/B-VI evaluation.

The analyzing power Asub(y)[(theta) for 12C(n,nsub(0,1))12C betwen 8.9 and] 14.9 MeV neutron energy

International Nuclear Information System (INIS)

Woye, E.; Tornow, W.; Mack, G.; Clegg, T.B.; Wylie, W.

1983-01-01

The analyzing power Asub(#betta#)(theta) for 12 C(n,n) 12 C elastic scattering and for inelastic scattering to the first excited state (Jsup(π) = 2 + , Q = -4.44 MeV) of 12 C was measured in the energy range from 8.9 to 14.9 MeV in 1 MeV steps. A pulsed polarized neutron beam was produced via the 2 H(d vector,n vector) 3 He polarization transfer reaction. Monte Carlo simulations were used to correct the data for finite geometry and multiple scattering effects. The Asub(#betta#) data, together with publsihed cross-section data, were analyzed in the framework of the spherical optical model and in the coupled-channels formalism. A good description of the data has been achieved. (orig.)

Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil.

Science.gov (United States)

González-Jiménez, Mario; Arenas-Valgañón, Jorge; Calle, Emilio; Casado, Julio

2011-10-26

Minoxidil (2,4-diamino-6-(piperidin-1'-yl)pyrimidine N(3)-oxide; CASRN 38304-91-5) is a bioactive molecule with several nitrosatable groups widely used as an antihypertensive and antialopecia agent. Here the nitrosation of minoxidil was investigated. The conclusions drawn are as follows: (i) In the pH = 2.3-5.0 range, the minoxidil molecule undergoes aromatic C-nitrosation by nitrite. The dominant reaction was C-5 nitrosation through a mechanism that appears to consist of an electrophilic attack on the nitrosatable substrate by H(2)NO(2)(+)/NO(+), followed by a slow proton transfer; (ii) the reactivity of minoxidil as a C-nitrosatable substrate proved to be 7-fold greater than that of phenol, this being attributed to the preferred para- and ortho-orientations of the two -NH(2) groups at positions 2 and 4 of the minoxidil molecule, which activate electrophilic substitution in the C-5 position through their mesomeric effect. The N-nitrosominoxidil resulting from the nitrosation could be potentially harmful to the minoxidil users.

Distribution and sources of n-alkanes and polycyclic aromatic hydrocarbons in shellfish of the Egyptian Red Sea coast

Directory of Open Access Journals (Sweden)

Ahmed El Nemr

2016-06-01

Full Text Available Aromatic hydrocarbons and n-alkanes were analyzed in shellfish collected from 13 different sites along the Egyptian Red Sea coast. All samples were analyzed for n-alkanes (C8–C40 and polycyclic aromatic hydrocarbons (EPA list of PAHs. n-Alkanes in shellfish samples from 13 locations were found to be in the range of 71.0–701.1 ng/g with a mean value of 242.2 ± 192.1 ng/g dry wt. Different indices were calculated for the n-alkanes to assess their sources. These were carbon preference index (CPI, average chain length (ACL, terrigenous/aquatic ratio (TAR, natural n-alkane ratio (NAR and proxy ratio (Paq. Most of the collected samples of n-alkanes were discovered to be from natural sources. Aromatic hydrocarbons (16 PAHs from 13 sites varied between 1.3 and 160.9 ng/g with an average of 47.9 ± 45.5 ng/g dry wt. Benzo(apyrine (BaP, a cancer risk assessment, was calculated for the PAHs and resulted in ranges between 0.08 and 4.47 with an average of 1.25 ng/g dry wt.

Measurement of the $^{12}$C($n,p$)$^{12}$B cross section at n_TOF (CERN) by in-beam activation analysis

CERN Document Server

Žugec, P.; Bosnar, D.; Mengoni, A.; Altstadt, S.; Andrzejewski, J.; Audouin, L.; Barbagallo, M.; Bécares, V.; Bečvář, F.; Belloni, F.; Berthoumieux, E.; Billowes, J.; Boccone, V.; Brugger, M.; Calviani, M.; Calviño, F.; Cano-Ott, D.; Carrapiço, C.; Cerutti, F.; Chiaveri, E.; Chin, M.; Cortés, G.; Cortés-Giraldo, M.A.; Cosentino, L.; Diakaki, M.; Domingo-Pardo, C.; Dressler, R.; Duran, I.; Eleftheriadis, C.; Ferrari, A.; Finocchiaro, P.; Fraval, K.; Ganesan, S.; García, A.R.; Giubrone, G.; Gómez-Hornillos, M.B.; Gonçalves, I.F.; González-Romero, E.; Griesmayer, E.; Guerrero, C.; Gunsing, F.; Gurusamy, P.; Heinitz, S.; Jenkins, D.G.; Jericha, E.; Käppeler, F.; Karadimos, D.; Kivel, N.; Kokkoris, M.; Krtička, M.; Kroll, J.; Langer, C.; Lederer, C.; Leeb, H.; Leong, L.S.; Lo Meo, S.; Losito, R.; Manousos, A.; Marganiec, J.; Martínez, T.; Massimi, C.; Mastinu, P.; Mastromarco, M.; Mendoza, E.; Milazzo, P.M.; Mingrone, F.; Mirea, M.; Mondalaers, W.; Musumarra, A.; Paradela, C.; Pavlik, A.; Perkowski, J.; Plompen, A.; Praena, J.; Quesada, J.; Rauscher, T.; Reifarth, R.; Riego, A.; Roman, F.; Rubbia, C.; Sarmento, R.; Saxena, A.; Schillebeeckx, P.; Schmidt, S.; Schumann, D.; Tagliente, G.; Tain, J.L.; Tarrío, D.; Tassan-Got, L.; Tsinganis, A.; Valenta, S.; Vannini, G.; Variale, V.; Vaz, P.; Ventura, A.; Versaci, R.; Vermeulen, M.J.; Vlachoudis, V.; Vlastou, R.; Wallner, A.; Ware, T.; Weigand, M.; Weiß, C.; Wright, T.

2014-01-01

The integral cross section of the $^{12}$C($n,p$)$^{12}$B reaction has been determined for the first time in the neutron energy range from threshold to several GeV at the n_TOF facility at CERN. The measurement relies on the activation technique, with the $\\beta$-decay of $^{12}$B measured over a period of four half-lives within the same neutron bunch in which the reaction occurs. The results indicate that model predictions, used in a variety of applications, are mostly inadequate. The value of the integral cross section reported here can be used as a benchmark for verifying or tuning model calculations.

Integral measurement of the {sup 12}C(n, p){sup 12}B reaction up to 10 GeV

Energy Technology Data Exchange (ETDEWEB)

Zugec, P.; Bosnar, D. [University of Zagreb, Department of Physics, Faculty of Science, Zagreb (Croatia); Colonna, N.; Barbagallo, M.; Mastromarco, M.; Tagliente, G.; Variale, V. [Istituto Nazionale di Fisica Nucleare, Bari (Italy); Ventura, A. [Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Mengoni, A. [ENEA, Bologna (Italy); Altstadt, S.; Langer, C.; Lederer, C.; Reifarth, R.; Schmidt, S.; Weigand, M. [Johann-Wolfgang-Goethe Universitaet, Frankfurt (Germany); Andrzejewski, J.; Marganiec, J.; Perkowski, J. [Uniwersytet Lodzki, Lodz (Poland); Audouin, L.; Leong, L.S.; Tassan-Got, L. [Centre National de la Recherche Scientifique/IN2P3 - IPN, Orsay (France); Becares, V.; Cano-Ott, D.; Garcia, A.R.; Gonzalez-Romero, E.; Martinez, T.; Mendoza, E. [Centro de Investigaciones Energeticas Medioambientales y Tecnologicas (CIEMAT), Madrid (Spain); Becvar, F.; Krticka, M.; Kroll, J.; Valenta, S. [Charles University, Prague (Czech Republic); Belloni, F.; Mondalaers, W.; Plompen, A.; Schillebeeckx, P. [European Commission JRC, Institute for Reference Materials and Measurements, Geel (Belgium); Berthoumieux, E.; Fraval, K.; Gunsing, F. [CEA/Saclay - IRFU, Gif-sur-Yvette (France); Billowes, J.; Ware, T.; Wright, T. [University of Manchester, Manchester (United Kingdom); Boccone, V.; Brugger, M.; Calviani, M.; Cerutti, F.; Chiaveri, E.; Chin, M.; Ferrari, A.; Guerrero, C.; Losito, R.; Roman, F.; Rubbia, C.; Tsinganis, A.; Versaci, R.; Vlachoudis, V.; Weiss, C. [CERN, Geneva (Switzerland); Calvino, F.; Cortes, G.; Gomez-Hornillos, M.B.; Riego, A. [Universitat Politecnica de Catalunya, Barcelona (Spain); Carrapico, C.; Goncalves, I.F.; Sarmento, R.; Vaz, P. [Universidade de Lisboa, C2TN-Instituto Superior Tecnico, Lisboa (Portugal); Cortes-Giraldo, M.A.; Praena, J.; Quesada, J. [Universidad de Sevilla, Sevilla (Spain); Cosentino, L.; Finocchiaro, P. [INFN - Laboratori Nazionali del Sud, Catania (Italy); Diakaki, M.; Karadimos, D.; Kokkoris, M.; Vlastou, R. [National Technical University of Athens (NTUA), Athens (Greece); Domingo-Pardo, C.; Giubrone, G.; Tain, J.L. [CSIC-Universidad de Valencia, Instituto de Fisica Corpuscular, Valencia (Spain); Dressler, R.; Heinitz, S.; Kivel, N.; Schumann, D. [Paul Scherrer Institut, Villigen (Switzerland); Duran, I.; Tarrio, D. [Universidade de Santiago de Compostela, Santiago de Compostela (Spain); Eleftheriadis, C.; Manousos, A. [Aristotle University of Thessaloniki, Thessaloniki (Greece); Ganesan, S.; Gurusamy, P.; Saxena, A. [Bhabha Atomic Research Centre (BARC), Mumbai (India); Griesmayer, E.; Jericha, E.; Leeb, H. [Atominstitut der Oesterreichischen Universitaeten, Technische Universitaet Wien, Wien (Austria); Jenkins, D.G.; Vermeulen, M.J. [University of York, York, Heslington (United Kingdom); Kaeppeler, F. [Karlsruhe Institute of Technology (KIT), Institut fuer Kernphysik, Karlsruhe (Germany); Lo Meo, S. [Istituto Nazionale di Fisica Nucleare, Bologna (Italy); ENEA, Bologna (Italy); Massimi, C.; Mingrone, F.; Vannini, G. [Dipartimento di Fisica, Universita di Bologna (IT); INFN, Bologna (IT); Mastinu, P. [Laboratori Nazionali di Legnaro, Istituto Nazionale di Fisica Nucleare, Legnaro (IT); Milazzo, P.M. [Istituto Nazionale di Fisica Nucleare, Trieste (IT); Mirea, M. [Horia Hulubei National Institute of Physics and Nuclear Engineering - IFIN HH, Magurele (RO); Musumarra, A. [Universita di Catania, Dipartimento di Fisica e Astronomia DFA, Catania (IT); INFN-Laboratori Nazionali del Sud, Catania (IT); Paradela, C. [European Commission JRC, Institute for Reference Materials and Measurements, Geel (BE); Universidade de Santiago de Compostela, Santiago de Compostela (ES); Pavlik, A. [Faculty of Physics, University of Vienna, Wien (AT); Rauscher, T. [University of Hertfordshire, Centre for Astrophysics Research, School of Physics, Astronomy and Mathematics, Hatfield (GB); University of Basel, Department of Physics, Basel (CH); Wallner, A. [Faculty of Physics, University of Vienna, Wien (AT); Australian National University, Research School of Physics and Engineering, Canberra (AU)

2016-04-15

The integral measurement of the {sup 12}C(n, p){sup 12}B reaction was performed at the neutron time-of-flight facility nTOF at CERN. The total number of {sup 12}B nuclei produced per neutron pulse of the nTOF beam was determined using the activation technique in combination with a time-of-flight technique. The cross section is integrated over the nTOF neutron energy spectrum from reaction threshold at 13.6 MeV to 10 GeV. Having been measured up to 1GeV on basis of the {sup 235}U(n, f) reaction, the neutron energy spectrum above 200 MeV has been re-evaluated due to the recent extension of the cross section reference for this particular reaction, which is otherwise considered a standard up to 200 MeV. The results from the dedicated GEANT4 simulations have been used to evaluate the neutron flux from 1 GeV up to 10 GeV. The experimental results related to the {sup 12}C(n, p){sup 12}B reaction are compared with the evaluated cross sections from major libraries and with the predictions of different GEANT4 models, which mostly underestimate the {sup 12}B production. On the contrary, a good reproduction of the integral cross section derived from measurements is obtained with TALYS-1.6 calculations, with optimized parameters. (orig.)

Hydrocracking of coal extracts to highly aromatic petroleum

Energy Technology Data Exchange (ETDEWEB)

Kotowski, W; Gorski, R

1972-07-01

Coal extracts were hydrocracked at 400 to 450/sup 0/C, 250 atm, 0.8 to 2.0 hr/sup -1/ space velocity, and with 1.5 cu m/l./hr of hydrogen over a bed of fluidized, 0.6 to 0.8 mm granules of nickel-molybdenum zeolite catalyst using the Consolidation Coal Co. process. The 330/sup 0/C bp extract was diluted with the 230 to 320/sup 0/C fraction of the product. At 440/sup 0/C and 1.2 hr/sup -1/ space velocity, the hydrotreatment removed 97% of the sulfur compounds, 95% of oxygen compounds, and 92% of nitrogen compounds. The yield of 35 to 230/sup 0/C gasoline stock decreased with increasing feed space velocity, but that of 230 to 340/sup 0/C gas oils increased. The synthetic crude product contained 48.7% aromatics, 35.1% naphthenes, 13.4% paraffins, 2.8% olefins, 0.14% sulfur, and 1.07% asphaltene. The product is compared with Romashkino crude.

Ruthenium-complex catalyzed N-(cyclo)alkylation of aromatic amines with diols. Selective synthesis of N-(n-hydroixyalkyl)anilines of type PhNH(CH2)nOH and of some bioactive arylpiperazines,

NARCIS (Netherlands)

Koten, G. van; Abbenhuis, R.A.T.M.; Boersma, J.

1998-01-01

A new class of well-defined neutral mono-, and dicationic ruthenium(II) complexes containing a neutral terdentate donor system [C5H3N(CH2E)(2)-2,6] (E = PPh2 (PNP) or NMe2 (NN'N)) has been found effective as catalyst precursor in N-(cyclo)alkylation reactions of aromatic amines with diols

Study of the alpha+12C →16O capture via 12C(16O,12C)16O transfer reaction

International Nuclear Information System (INIS)

Morais, M.C.; Lichtenthaeler, R.; Arazi, A.; Hojman, D.; Cardona, M.A.; Fimiani, L.; Carnelli, P.F.; Marti, G.V.; Pacheco, A.J.; Heimann, D. Martinez; Negri, A.E.; Capurro, O.A.; Niello, J.O. Fernandez; Montero, P.

2009-01-01

Full text: The 12 C(α γ) 16 O reaction is one of the most important in nuclear astrophysics. The rate of this reaction influences the subsequent nucleosynthesis of heavier elements in massive stars and consequently determines the stellar evolution. The 12 C(α γ) 16 O reaction cross section is extremely small at stellar temperature, this is mainly due to the Gamow energy (∼ 300KeV at T= 2x10 8 K) be much lower than the Coulomb barrier, E C.B. : = 3:142MeV. The α+ 12 C → 16 O at low energies is dominated by subthreshold states (1 - , 7:12MeV) and (2 + , 6:92MeV) of the 16 O, thus spectroscopic factors measurements of these states are very important. We propose to use the α-transfer reaction 12 C( 16 O, 12 C) 16 O * at very forward angles to obtain those spectroscopic factors. In this way, measurements of elastic and inelastic angular distributions for the 12 C+ 16 O system were performed at the TANDAR Laboratory in Buenos Aires, using an 16 O beam of E lab = 46.3MeV. These angular distributions were obtained using 8 adjacent surface barrier detectors and the measurements were performed from 5 deg to 48.5 deg with steps of 1 deg. The scattering chamber has an angular precision better than 0.1 deg. The transfer angular distributions are being analysed by DWBA using the computer code FRESCO in order to obtain the two spectroscopic factors. (author)

Reduction of Aromatic and Heterocyclic Aromatic N-Hydroxylamines by Human Cytochrome P450 2S1

Science.gov (United States)

Wang, Kai; Guengerich, F. Peter

2013-01-01

Many aromatic amines and heterocyclic aromatic amines (HAAs) are known carcinogens for animals and there is also strong evidence for some in human cancer. The activation of these compounds, including some arylamine drugs, involves N-hydroxylation, usually by cytochrome P450 enzymes (P450) in Family 1 (1A2, 1A1, and 1B1). We previously demonstrated that the bioactivation product of the anti-cancer agent 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (5F 203), an N-hydroxylamine, can be reduced by P450 2S1 to its amine precursor under anaerobic conditions and, to a lesser extent, under aerobic conditions (Wang, K., and Guengerich, F. P. (2012) Chem. Res. Toxicol. 25, 1740–1751). In the present study, we tested the hypothesis that P450 2S1 is involved in the reductive biotransformation of known carcinogenic aromatic amines and HAAs. The N-hydroxylamines of 4-aminobiphenyl (4-ABP), 2-naphthylamine (2-NA), and 2-aminofluorene (2-AF) were synthesized and found to be reduced by P450 2S1 under both anaerobic and aerobic conditions. The formation of amines due to P450 2S1 reduction also occurred under aerobic conditions but was less apparent because the competitive disproportionation reactions (of the N-hydroxylamines) also yielded amines. Further, some nitroso and nitro derivatives of the arylamines could also be reduced by P450 2S1. None of the amines tested were oxidized by P450 2S1. These results suggest that P450 2S1 may be involved in the reductive detoxication of several of the activated products of carcinogenic aromatic amines and HAAs. PMID:23682735

Analyzing power Asub(y)((theta) for /sup 12/C(n,nsub(0,1))/sup 12/C betwen 8. 9 and) 14. 9 MeV neutron energy

Energy Technology Data Exchange (ETDEWEB)

Woye, E.; Tornow, W.; Mack, G. (Tuebingen Univ. (Germany, F.R.). Physikalisches Inst.); Floyd, C.E.; Guss, P.P.; Murphy, K.; Byrd, R.C.; Wender, S.A.; Walter, R.L. (Duke Univ., Durham, NC (USA). Dept. of Physics; Triangle Universities Nuclear Lab., Durham, NC (USA))

1983-02-01

The analyzing power Asub(..gamma..)(theta) for /sup 12/C(n,n)/sup 12/C elastic scattering and for inelastic scattering to the first excited state (Jsup(..pi..) = 2/sup +/, Q = -4.44 MeV) of /sup 12/C was measured in the energy range from 8.9 to 14.9 MeV in 1 MeV steps. A pulsed polarized neutron beam was produced via the /sup 2/H(d vector,n vector)/sup 3/He polarization transfer reaction. Monte Carlo simulations were used to correct the data for finite geometry and multiple scattering effects. The Asub(..gamma..) data, together with publsihed cross-section data, were analyzed in the framework of the spherical optical model and in the coupled-channels formalism. A good description of the data has been achieved.

Effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds using a modified QSAR model.

Science.gov (United States)

Lim, Seung Joo; Fox, Peter

2014-02-01

The effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds were investigated using a modified half life equation. The potential future pharmaceutical compounds investigated were approximately 2000 pharmaceutical drugs currently undergoing the United States Food and Drug Administration (US FDA) testing. EPI Suite (BIOWIN) model estimates the fates of compounds based on the biodegradability under aerobic conditions. While BIOWIN considered the biodegradability of a compound only, the half life equation used in this study was modified by biodegradability, sorption and cometabolic oxidation. It was possible that the potential future pharmaceutical compounds were more accurately estimated using the modified half life equation. The modified half life equation considered sorption and cometabolic oxidation of halogenated aromatic/aliphatics and nitrogen(N)-heterocyclic aromatics in the sub-surface, while EPI Suite (BIOWIN) did not. Halogenated aliphatics in chemicals were more persistent than halogenated aromatics in the sub-surface. In addition, in the sub-surface environment, the fates of organic chemicals were much more affected by halogenation in chemicals than by nitrogen(N)-heterocyclic aromatics. © 2013.

Determination of C6-C10 aromatic hydrocarbons in water by purge-and-trap capillary gas chromatography

Science.gov (United States)

Eganhouse, R.P.; Dorsey, T.F.; Phinney, C.S.; Westcott, A.M.

1993-01-01

A method is described for the determination of the C6-C10 aromatic hydrocarbons in water based on purge-and-trap capillary gas chromatography with flame ionization and mass spectrometric detection. Retention time data and 70 eV mass spectra were obtained for benzene and all 35 C7-C10 aromatic hydrocarbons. With optimized chromatographic conditions and mass spectrometric detection, benzene and 33 of the 35 alkylbenzenes can be identified and measured in a 45-min run. Use of a flame ionization detector permits the simultaneous determination of benzene and 26 alkylbenzenes.

Microwave spectra, molecular structure, and aromatic character of 4a,8a-azaboranaphthalene

Energy Technology Data Exchange (ETDEWEB)

Pejlovas, Aaron M.; Daly, Adam M.; Kukolich, Stephen G. [Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States); Ashe, Arthur J. [Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055 (United States)

2016-03-21

The microwave spectra for seven unique isotopologues of 4a,8a-azaboranaphthalene [hereafter referred to as BN-naphthalene] were measured using a pulsed-beam Fourier transform microwave spectrometer. Spectra were obtained for the normal isotopologues with {sup 10}B, {sup 11}B, and all unique single {sup 13}C and the {sup 15}N isotopologue (with {sup 11}B), in natural abundance. The rotational, centrifugal distortion and quadrupole coupling constants determined for the {sup 11}B{sup 14}N isotopologue are A = 3042.712 75(43) MHz, B = 1202.706 57(35) MHz, C = 862.220 13(35) MHz, D{sub J} = 0.06(1) kHz, 1.5χ{sub aa} ({sup 14}N) = 2.5781(61) MHz, 0.25(χ{sub bb} − χ{sub cc}) ({sup 14}N) = − 0.1185(17) MHz, 1.5χ{sub aa} (11B) = − 3.9221(75) MHz, and 0.25(χ{sub bb} − χ{sub cc}) ({sup 11}B) = − 0.9069(24) MHz. The experimental inertial defect is Δ = − 0.159 amu Å{sup 2}, which is consistent with a planar structure for the molecule. The B—N bond length from the experimentally determined structure is 1.47 Å, which indicates π-bonding character between the B and N. The measured quadrupole coupling strengths provide important and useful information about the bonding, orbital occupancy, and aromatic character for this aromatic molecule. Extended Townes-Dailey analyses were used to determine the B and N electron sp{sup 2}-hybridized and p-orbital occupations. These results are compared with electron orbital occupations from the natural bond orbital option in theoretical calculations. From the analyses, it was determined that BN-naphthalene has aromatic character similar to that of other N-containing aromatics. The results are compared with similar results for B—N bonding in 1,2-dihydro-1,2-azaborine and BN-cyclohexene. Accurate and precise structural parameters were obtained from the microwave measurements on seven isotopologues and from high-level G09 calculations.

Measurement of the /sup 12/C(n,γ0)/sup 13/C cross section in the giant dipole resonance region

International Nuclear Information System (INIS)

August, R.A.; Weller, H.R.; Tilley, D.R.

1987-01-01

The /sup 12/C(n,γ 0 ) /sup 13/C excitation function at 90 0 has been measured for neutron energies from 6.5 to 18.5 MeV. Whereas previous measurements disagreed at the lower energies with a direct-semidirect capture calculation based on /sup 12/C(p,γ 0 ) /sup 13/N data, the present results, especially when the uncertainty in absolute cross section is considered, indicate reasonable qualitative agreement with the calculation

12C(3He,3He n)11C cross section at 910 MeV

International Nuclear Information System (INIS)

Aslanides, E.; Fassnacht, P.; Dellacasa, G.; Gallio, M.; Tuyn, J.W.N.

1981-01-01

The 12 C( 3 He, 3 He n) 11 C cross section at 910 MeV was measured by using a Ge(Li) gamma spectrometer to determine the disintegration rate and measuring the incident flux by means of a scintillator telescope. Cross sections for the production of 7 Be in C and Al and for the production of 24 Na in Al are then determined using the measured cross section as a monitor

Search for 12 C+ 12 C clustering in 24 Mg ground state

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 88; Issue 2. Search for 12C+12C clustering in 24Mg ground state. B N JOSHI ARUN K JAIN D C BISWAS B V JOHN Y K GUPTA L S DANU R P VIND G K PRAJAPATI S MUKHOPADHYAY A SAXENA. Regular Volume 88 Issue 2 February 2017 Article ID 29 ...

N,N′-Bis(2,3-dimethoxybenzylideneethane-1,2-diamine

Directory of Open Access Journals (Sweden)

Hua Xue

2011-09-01

Full Text Available The title compound, C20H24N2O4, crystallizes with two half (centrosymmetric molecules in the asymmetric unit. There are only minor differences between the geometric parameters between these two molecules. The two aromatic rings in both molecules are mutually coplanar.

Neutrino cross sections on 12C

International Nuclear Information System (INIS)

Sandberg, V.D.

1996-01-01

Measurements of the charged current reactions 12 C(v e ,e - ) 12 N and 12 C(v μ ,μ - ) 12 N for inclusive transitions to 12 N excited states and exclusive transitions to 12 N , are presented. The data presented represent 3 years of running of the LSND experiments and are from runs in 1993, 1994, and 1995 and total to 14772 Coulombs of protons on target. The v e scattering and v μ - exclusive scattering results are in good agreement with theoretical expectations, while the v μ - inclusive scattering results are smaller than expected from a continuum random phase calculation

Efeitos do ultra-som terapêutico contínuo sobre a proliferação e viabilidade de células musculares C2C12 Effects of continuous therapeutic ultrasound on proliferation and viability of C2C12 muscle cells

Directory of Open Access Journals (Sweden)

Paola Pelegrineli Artilheiro

2010-06-01

Full Text Available O ultra-som terapêutico (US é um recurso bioestimulante utilizado para propiciar reparo muscular de melhor qualidade e menor duração, mas o potencial terapêutico do US contínuo não está totalmente estabelecido. O objetivo deste trabalho foi avaliar o efeito do US contínuo sobre a proliferação e viabilidade de células musculares precursoras (mioblastos C2C12. Mioblastos C2C12 foram cultivados em meio de cultura contendo 10% de soro fetal bovino e irradiados com US contínuo nas freqüências de 1 e 3 MHz nas intensidades de 0,2 e 0,5 W/cm2, durante 2 e 5 minutos. A viabilidade e proliferação celular foram avaliadas após 24, 48 e 72 h de incubação. Grupos não-irradiados serviram como controle. Foram realizados experimentos independentes em cada condição acima, e os dados obtidos submetidos à análise estatística. Os resultados mostram que não houve diferença estatisticamente significativa na proliferação e viabilidade celular entre os mioblastos tratados com US e as culturas controles após os diferentes períodos de incubação, em todos os parâmetros avaliados. Conclui-se que o US contínuo, nos parâmetros avaliados, não foi capaz de alterar a proliferação e viabilidade dos mioblastos.Therapeutic ultrasound (US is a biophysical stimulation resource widely used in order to promote better, faster muscle repair, but the effectiveness of continuous US in treating injuries is not fully established. The aim of the present in vitro study was to assess the effects of continuous ultrasound on viability and proliferation of skeletal muscle precursor cells (C2C12 myoblasts. C2C12 myoblasts were cultured in a medium containing 10% foetal bovine serum and irradiated with continuous ultrasound at 1 and 3 MHz frequencies, at intensities of 0.2 and 0.5 W/cm² for 2 and 5 minutes. Cell viability and proliferation were assessed after different incubation periods (24, 48 and 72 h. Non-irradiated groups served as control and data were

Nitrogen-Containing Coronenes: Theoretical Evaluation of the Influence of Aza-substitution on their Aromaticity

Science.gov (United States)

Pop, Raluca; van Staden, Jacobus; Diudea, Mircea

2015-03-01

The aromaticity of coronene derivatives where two C atoms of each outer six-membered ring are replaced by N have been investigated. Three types of substitution, namely 1,2-, 1,3-, and 1,4- are proposed. Computations of the geometric (HOMA index), energetic (HOMO-LUMO gap), and magnetic indices (NICS(0) and NICS(1)) were performed, and the results compared to the ones obtained for the all-carbon species. The results outline that the aza-derivatives have aromatic character comparable to the all-carbon species and an enlarged HOMO-LUMO gap.

48 CFR 12.205 - Offers.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Offers. 12.205 Section 12... ACQUISITION OF COMMERCIAL ITEMS Special Requirements for the Acquisition of Commercial Items 12.205 Offers. (a) Where technical information is necessary for evaluation of offers, agencies should, as part of market...

Porous Aromatic Framework 48/Gel Hybrid Material Coated Solid-Phase Microextraction Fiber for the Determination of the Migration of Styrene from Polystyrene Food Contact Materials.

Science.gov (United States)

Jin, Yuanyuan; Li, Zhongyue; Yang, Lei; Xu, Jun; Zhao, Le; Li, Zhonghao; Niu, Jiajia

2017-01-17

A novel solid-phase microextraction (SPME) fiber was fabricated by a porous aromatic framework 48 (PAF-48)/gel hybrid material through a sol-gel process. PAF-48 is a porous organic framework (POF) material that was polymerized from 1,3,5-triphenylbenzene. The uniform pore structure, high surface area, continuous conjugate network, and hydrophobicity make PAF-48 expected to have special abilities to absorb and extract styrene as well as some other harmful volatile aromatic compounds (VACs). The PAF-48/gel-coated fiber was explored for the extraction of styrene and six VACs (benzene, toluene, ethylbenzene, and xylenes) from aqueous food simulants followed by gas chromatography (GC) separation. The fiber was found to be very sensitive for the determination of the target molecules with wide linear ranges (0.1-200 or 500 μg·kg -1 ), low limits of detection (LODs, 0.003-0.060 μg·kg -1 ), acceptable precisions (intraday relative standard deviation, RSD 200 times). Particularly for styrene, the PAF-48/gel-coated fiber exhibited a much lower LOD (0.006 μg·kg -1 ) compared with most of the reported fibers. Moreover, the PAF-48/gel-coated fiber had a high extraction selectivity for styrene and VACs over alcohols, phenols, aromatic amines, and alkanes and show a molecular sieving effect for the different molecule sizes. Finally, the PAF-48/gel-coated SPME fiber was successfully applied in GC for the determination of the specific migrations of styrene and VACs from polystyrene (PS) plastic food contact materials (FCMs).

Insulation Strength and Decomposition Characteristics of a C6F12O and N2 Gas Mixture

Directory of Open Access Journals (Sweden)

Xiaoxing Zhang

2017-08-01

Full Text Available This paper explores the decomposition characteristics of a new type of environmentally friendly insulating gas C6F12O and N2 mixed gas under AC voltage. The breakdown behavior of 3% C6F12O and N2 mixed gas in quasi-uniform field was investigated through a breakdown experiment. The self-recovery of the mixed gas was analyzed by 100 breakdown experiments. The decomposition products of C6F12O and N2 under breakdown voltage were determined by gas chromatography–mass spectrometer (GC-MS. Finally, the decomposition process of the products was calculated by density functional theory, and the ionization energy, affinity, and molecular orbital gap of the decomposition products were also calculated. The properties of the decomposition products were analyzed from the aspects of insulation and environmental protection. The experimental results show that the 3% C6F12O and N2 mixed gas did not show a downward trend over 100 breakdown tests under a 0.10 MPa breakdown voltage. The decomposition products after breakdown were CF4, C2F6, C3F6, C3F8, C4F10, and C5F12. The ionization energies of several decomposition products are more than 10 eV. The Global Warming Potential (GWP values of the main products are lower than SF6. C2F6, C3F8, and C4F10 have better insulation properties.

Molecular dynamics simulation studies of mid-size liquid n-Alkanes, C12–C160

International Nuclear Information System (INIS)

Kwon, Tae Woo; Lee, Song Hi

2015-01-01

In this study, we report the results of molecular dynamics simulations (MD) for model systems of mid-size liquid n-alkanes (C 12 –C 160 ) at several temperatures (⁓2700 K) in canonical ensembles to calculate structural and dynamic properties (viscosity η, self-diffusion constant D, and monomeric friction constant ζ). For the small n-alkanes for n ≤ 80, the chains are clearly ≥ 1, which leads to the conclusion that the liquid n-alkanes are far away from the Rouse regime, but for the n-alkanes for n ≥ 120, the chains are ⁓ 1 and they are Gaussian. It is found that the long chains of these n-alkanes at high temperatures show abnormalities in density, viscosity, and monomeric friction constant. The mass and temperature dependences of structural and dynamic properties (η, D, and ζ) are discussed

Correlation between the 12C+12C, 12C+13C, and 13C+13C fusion cross sections

Science.gov (United States)

Notani, M.; Esbensen, H.; Fang, X.; Bucher, B.; Davies, P.; Jiang, C. L.; Lamm, L.; Lin, C. J.; Ma, C.; Martin, E.; Rehm, K. E.; Tan, W. P.; Thomas, S.; Tang, X. D.; Brown, E.

2012-01-01

The fusion cross section for 12C+13C has been measured down to Ec.m.=2.6 MeV, at which the cross section is of the order of 20 nb. By comparing the cross sections for the three carbon isotope systems, 12C+12C, 12C+13C, and 13C+13C, it is found that the cross sections for 12C+13C and 13C+13C provide an upper limit for the fusion cross section of 12C+12C over a wide energy range. After calibrating the effective nuclear potential for 12C+12C using the 12C+13C and 13C+13C fusion cross sections, it is found that a coupled-channels calculation with the ingoing wave boundary condition (IWBC) is capable of predicting the major peak cross sections in 12C+12C. A qualitative explanation for this upper limit is provided by the Nogami-Imanishi model and by level density differences among the compound nuclei. It is found that the strong resonance found at 2.14 MeV in 12C+12C exceeds this upper limit by a factor of more than 20. The preliminary result from the most recent measurement shows a much smaller cross section at this energy, which agrees with our predicted upper limit.

Synthesis of extended polycyclic aromatic hydrocarbons by oxidative tandem spirocyclization and 1,2-aryl migration

Science.gov (United States)

Zhang, Xuan; Xu, Zhanqiang; Si, Weili; Oniwa, Kazuaki; Bao, Ming; Yamamoto, Yoshinori; Jin, Tienan

2017-04-01

The extended polycyclic aromatic hydrocarbons (PAHs) have received significant interdisciplinary attention due to their semiconducting applications in diverse organic electronics as well as intriguing structural interests of well-defined graphene segments. Herein, a highly efficient oxidative spirocyclization and 1,2-aryl migration tandem synthetic method for the construction of extended polyaromatic hydrocarbons (PAHs) has been developed. The CuCl-catalyst/PhCO3 tBu or DDQ oxidation system in the presence of trifluoroacetic acid enables the selective single-electron oxidation to take place preferentially at the more electron-rich alkene moiety of o-biphenylyl-substituted methylenefluorenes, giving rise to the subsequent tandem process. A variety of structurally diverse extended PAHs including functionalized dibenzo[g,p]chrysenes, benzo[f]naphtho[1,2-s]picene, hexabenzo[a,c,fg,j,l,op]tetracene, tetrabenzo[a,c,f,m]phenanthro[9,10-k]tetraphene, tetrabenzo[a,c,f,k]phenanthro[9,10-m]tetraphene, tetrabenzo[a,c,f,o]phenanthro[9,10-m]picene and S-type helicene have been readily synthesized.

2-Benzylsulfanyl-N-(1,3-dimethylimidazolidin-2-ylideneaniline

Directory of Open Access Journals (Sweden)

Ulrich Flörke

2013-04-01

Full Text Available The molecular structure of the title compound, C18H21N3S, shows a twisted conformation with a dihedral angle of 67.45 (4° between the aromatic ring planes and an N—C—C—S torsion angle of −5.01 (13°. The imidazolidine ring and the aniline moiety make a dihedral angle of 56.03 (4° and the asscociated C—N—C angle is 125.71 (10°. The guanidine-like C=N double bond is clearly localized, with a bond length of 1.2879 (14 Å. The C—S—C angle is 102.12 (5° and the S—C(aromatic and S—C bond lengths are 1.7643 (11 and 1.8159 (12 Å.

The Effect of n vs. iso Isomerization on the Thermophysical Properties of Aromatic and Non-aromatic Ionic Liquids.

Science.gov (United States)

Rodrigues, Ana S M C; Almeida, Hugo F D; Freire, Mara G; Lopes-da-Silva, José A; Coutinho, João A P; Santos, Luís M N B F

2016-09-15

This work explores the n vs. iso isomerization effects on the physicochemical properties of different families of ionic liquids (ILs) with variable aromaticity and ring size. This study comprises the experimental measurements, in a wide temperature range, of the ILs' thermal behavior, heat capacities, densities, refractive indices, surface tensions, and viscosities. The results here reported show that the presence of the iso -alkyl group leads to an increase of the temperature of the glass transition, T g . The iso- pyrrolidinium (5 atoms ring cation core) and iso -piperidinium (6 atoms ring cation core) ILs present a strong differentiation in the enthalpy and entropy of melting. Non-aromatic ILs have higher molar heat capacities due to the increase of the atomic contribution, whereas it was not found any significant differentiation between the n and iso -alkyl isomers. A small increase of the surface tension was observed for the non-aromatic ILs, which could be related to their higher cohesive energy of the bulk, while the lower surface entropy observed for the iso isomers indicates a structural resemblance between the IL bulk and surface. The significant differentiation between ILs with a 5 and 6 atoms ring cation in the n -alkyl series (where 5 atoms ring cations have higher surface entropy) is an indication of a more efficient arrangement of the non-polar region at the surface in ILs with smaller cation cores. The ILs constituted by non-aromatic piperidinium cation, and iso -alkyl isomers were found to be the most viscous among the studied ILs due to their higher energy barriers for shear stress.

Biological production of hydroxylated aromatics : Optimization strategies for Pseudomonas putida S12

NARCIS (Netherlands)

Verhoef, A.

2010-01-01

To replace environmentally unfriendly petrochemical production processes, the demand for bio-based production of organic chemicals is increasing. This thesis focuses on the biological production of hydroxylated aromatics from renewable substrates by engineered P. putida S12 including several cases

The fluorodediazonation - a method for n.c.a.-18F-labelling of aromatic substrates

International Nuclear Information System (INIS)

Zwernemann, O.

1991-06-01

For the positron emission tomography (PET) applications, radiopharmaceuticals are required that are labelled with short-lived positron emitters. Fluorine-18 has become the leading radionuclide used for PET, due to its favourable physical properties. However, the labelling of aromatic substances with fluorine-18 with the methods available presents problems not encountered with aliphatic compounds. The decomposition of aromatic diazonium salts opens up feasible ways of preparing a broad range of labelled compounds. The dissertation investigated the possibilities of labelling with fluorine-18 by way of dediazonation on the standard substrate p-Toluidyl diazonium ion. The results reported show that the method of fluorodediazonation is an interesting further method for F-18 labelling of aromatic substrates in addition to the hitherto applied techniques. It allows carrier-free labelling of a large group of substances which cannot be fluorinated via direct nucleophilicity. (BBR) [de

Average number of neutrons in π-p, π-n, and π-12C interactions at 4 GeV/c

International Nuclear Information System (INIS)

Bekmirzaev, R.N.; Grishin, V.G.; Muminov, M.M.; Suvanov, I.; Trka, Z.; Trkova, J.

1984-01-01

The average numbers of secondary neutrons in π - p, π - n, and π -12 C interactions at 4 GeV/c have been determined by investigating secondary neutral stars produced by neutrons in a propane bubble chamber. The following values were obtained for the charge-exchange coefficients: α(p→n) = 0.39 +- 0.04 and α(n→p) = 0.37 +- 0.08

Synthetic Swan band profile of (1,0) of 12C12C and (0,0) of 12C12C and 12C13C in comets

International Nuclear Information System (INIS)

Swamy, K.S.K.

1987-01-01

The statistical equilibrium calculations of the 12 C 13 C molecule based on the resonance fluorescence process give similar results to those of the normal molecule. Therefore the assumption that the observed intensities of bands of the normal and the isotopic molecule differ only by their abundance ratio is reasonable. The synthetic profile of the (1,0) Swan band of 12 C 13 C (0,0) band of 12 C 12 C and 12 C 13 C have been calculated. The relative merits of using the rotational structure of the (1,0) or (0,0) band for the determination of the isotopic ratio 12 C/ 13 C is discussed briefly. (author)

Electronic properties and bulk moduli of new boron nitride polymorphs, i.e., hyperdiamond B12N12 and simple cubic B24N24, B12N12 fulborenites

International Nuclear Information System (INIS)

Pokropivny, V. V.; Bekenev, V. L.

2006-01-01

The energy-band structure, density of states, electron density distribution, equation of state, and bulk moduli of three boron-nitride fulborenite crystals, i.e., B 12 N 12 with diamond lattice and B 24 N 24 , B 12 N 12 with simple cubic lattice, whose sites contain fulborene B 12 N 12 and B 24 N 24 molecules, are calculated for the first time using the full-potential linearized augmented plane wave method. The following hyperdiamond B 12 N 12 parameters were obtained: the equilibrium lattice parameter a = 1.1191 nm, the B-N bond length a BN = 0.1405 nm, the number of atoms per unit cell Z = 192, the density ρ = 2.823 g/cm 3 , the bulk modulus B 0 = 658 GPa, and the band gap ΔE g = 3.05 eV. This is a previously unknown unique light superhard semiconductor faujasite with a recorded bulk modulus higher than that of diamond. There are reasons to assume that it is a E phase. The characteristics of B 24 N 24 with simple cubic lattice are as follows: the equilibrium lattice parameter a = 0.7346 nm, the B-N bond length a BN = 0.1521 nm, the number of atoms per unit cell Z = 48, the density ρ = 2.495 g/cm 3 , the bulk modulus B 0 = 367 GPa, and the band gap ΔE g = 3.76 eV. This material is a heteropolar semiconductor or insulator with a bulk modulus comparable with that of cubic boron nitride, as well as a new boron-nitride zeolite with channel diameter of 0.46 nm. B 12 N 12 with simple cubic lattice is a molecular semimetal

Absolute cross sections measurement for the 12C + 12C system at astrophysically relevant energies

International Nuclear Information System (INIS)

Barron-Palos, L.; Aguilera, E.F.; Aspiazu, J.; Huerta, A.; Martinez-Quiroz, E.; Monroy, R.; Moreno, E.; Murillo, G.; Ortiz, M.E.; Policroniades, R.; Varela, A.; Chavez, E.

2006-01-01

The 12 C + 12 C fusion reaction has been studied in the center-of-mass energy range of 2.25 to 6.01 MeV. Through the detection of gamma rays from the first excited states of the residual nuclei 20 Ne, 23 Na and 23 Mg, absolute cross sections for the 12 C( 12 C,-bar α), 12 C( 12 C,-bar p) and 12 C( 12 C,-bar n) reactions have been obtained. In this new measurement, the energy dependence of the S-factor is found to increase as the energy decreases below 3 MeV in the center of mass. This tendency was observed in previous measurements by Mazarakis et al., and has since then become a subject of controversy. In this work, where the cross sections are measured at even lower energies, we confirm the rise in the S-factor toward the energy region relevant for star evolution and nucleosynthesis calculations (E c.m. =1-3 MeV)

Molecular resonances in sub-Coulomb energy region (12C-12C, 12C-24Mg, 12C-9Be systems)

International Nuclear Information System (INIS)

Takimoto, Kiyohiko; Shimomura, Susumu; Tanaka, Makoto; Murakami, Tetsuya; Fukada, Mamoru; Sakaguchi, Atsushi

1982-01-01

Molecular resonance in sub-Coulomb energy region was studied on 12 C- 12 C, 12 C- 24 Mg and 12 C- 9 Be systems. The excitation functions and the angular distributions were measured on the reactions 12 C( 12 C, 8 Besub(g,s,)) 16 Osub(g,s,), 24 Mg( 12 C, α) 32 S and 9 Be ( 12 C, 8 Besub(g,s,)) 13 Csub(g,s,). Sub-Coulomb resonances were observed in all systems and the contribution of the 12 Csub(2nd)*(0 + , 7.65 MeV) state is proposed. (author)

Reactions of recoil tritium generated by the 3He(n,p)3H reaction with aromatic compounds -intramolecular tritium distribution and radiochemical yield

International Nuclear Information System (INIS)

Nogawa, N.; Morikawa, Naotake; Oohashi, Kunio; Matuoka, H.; Moki, T.; Moriya, T.

1986-01-01

Reactions of recoil tritium with benzoic acid, acetanilide and β-phenethyl alcohol were studied using the 3 He(=n,p) 3 H reaction. The tritium distribution in the aromatic ring is approximately uniform in all the irradiated compounds and the tritium activity per C-H bond in the methyl and ethylene groups is 7 to 8 relative to that of the corresponding ring as standard. These findings are substantially the same as those obtained previously by the 6 Li(n,α) 3 H reactions, suggesting the same mechanism of tritiation for both recoil reactions. The tritiated parent compounds were obtained in high radiochemical yields: 45% for benzoic acid, 30% for acetanilide, 12% for β-phenethyl alcohol. (author)

The {sup 12}C/{sup 13}C Ratio in Sgr B2(N): Constraints for Galactic Chemical Evolution and Isotopic Chemistry

Energy Technology Data Exchange (ETDEWEB)

Halfen, D. T.; Ziurys, L. M. [Department of Chemistry and Biochemistry, University of Arizona, 1305 E. 4th Street, Tucson, AZ 85719 (United States); Woolf, N. J., E-mail: halfend@email.arizona.edu [Department of Astronomy, Arizona Radio Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States)

2017-08-20

A study has been conducted of {sup 12}C/{sup 13}C ratios in five complex molecules in the Galactic center. H{sub 2}CS, CH{sub 3}CCH, NH{sub 2}CHO, CH{sub 2}CHCN, and CH{sub 3}CH{sub 2}CN and their {sup 13}C-substituted species have been observed in numerous transitions at 1, 2, and 3 mm, acquired in a spectral-line survey of Sgr B2(N), conducted with the telescopes of the Arizona Radio Observatory (ARO). Between 22 and 54 individual, unblended lines for the {sup 12}C species and 2–54 for {sup 13}C-substituted analogs were modeled in a global radiative transfer analysis. All five molecules were found to consistently exhibit two velocity components near V {sub LSR} ∼ 64 and 73 km s{sup −1}, with column densities ranging from N {sub tot} ∼ 3 × 10{sup 14} − 4 × 10{sup 17} cm{sup −2} and ∼2 × 10{sup 13} − 1 × 10{sup 17} cm{sup −2} for the {sup 12}C and {sup 13}C species, respectively. Based on 14 different isotopic combinations, ratios were obtained in the range {sup 12}C/{sup 13}C = 15 ± 5 to 33 ± 13, with an average value of 24 ± 7, based on comparison of column densities. These measurements better anchor the {sup 12}C/{sup 13}C ratio at the Galactic center, and suggest a slightly revised isotope gradient of {sup 12}C/{sup 13}C = 5.21(0.52) D {sub GC} + 22.6(3.3). As indicated by the column densities, no preferential {sup 13}C enrichment was found on the differing carbon sites of CH{sub 3}CCH, CH{sub 2}CHCN, and CH{sub 3}CH{sub 2}CN. Because of the elevated temperatures in Sgr B2(N), {sup 13}C isotopic substitution is effectively “scrambled,” diminishing chemical fractionation effects. The resulting ratios thus reflect stellar nucleosynthesis and Galactic chemical evolution, as is likely the case for most warm clouds.

Assembly of a new inorganic-organic frameworks based on [Sb4Mo12(OH)6O48]10- polyanion

Science.gov (United States)

Thabet, Safa; Ayed, Meriem; Ayed, Brahim; Haddad, Amor

2014-10-01

A new organic-inorganic hybrid material, (C4N2H7)8[K(H2O)]2[Sb4Mo12(OH)6O48]ṡ16H2O (1) has been isolated by the conventional solution method and characterized by elemental analysis, single-crystal X-ray diffraction, infrared spectroscopy, UV-visible spectroscopies, cyclic voltammetry and TG-DTA analysis. The compound crystallizes in the triclinic space group P - 1 with a = 13.407(6) Å, b = 13.906(2) Å, c = 14.657(7) Å, α = 77.216(9)°, β = 71.284(6)°, γ = 71.312(3)° and Z = 1. The crystal structure exhibits an infinite 1D inorganic structure built from [Sb4Mo12(OH)6O48]10- clusters and potassium cations; adjacent chains are further joined up hydrogen bonding interactions between protonated 2-methylimidazolim cations, water molecules and polyoxoanions to form a 3D supramolecular architecture.

Indirect measurement of the 15N(p,α)12C reaction cross section through the THM

International Nuclear Information System (INIS)

Romano, S.; La Cognata, M.; Spitaleri, C.; Cherubini, S.; Gulino, M.; Lamia, L.; Musumarra, A.; Tribble, R.; Trache, C.L.; Fu, C.

2005-01-01

Among the reactions of the stellar CNO cycle, the 15 N(p,α) 12 C plays a crucial role. In particular its reaction rate is important for understanding the CNOI escape towards CNOII. Thus it is important to study its bare nucleus cross section at the energies typical of such astrophysical environments, i.e. few tens of keV. At these energies such a measurement is hard to perform in a direct way because of the electron screening effect as pointed out for several cases. A possibility is then given by indirect methods and in particular the Trojan Horse Method (THM) has been applied in this case. The preliminary validity test for the study of 15 N(p,α) 12 C via the 15 N(d,α 12 C)n three body reaction is reported in this work. A 15 N beam was provided by the cyclotron at Texas A and M University with energy 60 MeV/c and delivered onto a CD 2 target. A ΔE/E telescope (PSD + ionization chamber) and a pair of PSD's were mounted in a coplanar geometry. Coincidences between the detectors were considered and the 15 N-p quasi-free contribution to the overall three-body cross-section was selected. Data analysis and preliminary results will be discussed and compared with direct data. (author)

40 CFR Table 2c to Subpart E of... - Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 5 2010-07-01 2010-07-01 false Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures 2C Table 2C to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL... Hydrocarbon Solvent Mixtures Bin Boiling range (degrees F) Criteria Reactivityfactor 21 280-290 Aromatic...

Hydrothermal synthesis and crystal structure of the Ni2(C4H4N2)(V4O12)(H2O)2 and Ni3(C4H4N2)3(V8O23) inorganic-organic hybrid compounds. Thermal, spectroscopic and magnetic studies of the hydrated phase

International Nuclear Information System (INIS)

Larrea, Edurne S.; Mesa, Jose L.; Pizarro, Jose L.; Arriortua, Maria I.; Rojo, Teofilo

2007-01-01

Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2 , 1, and Ni 3 (C 4 H 4 N 2 ) 3 (V 8 O 23 ), 2, have been synthesized using mild hydrothermal conditions at 170 deg. C under autogenous pressure. Both phases crystallize in the P-1 triclinic space group, with the unit-cell parameters, a=7.437(7), b=7.571(3), c=7.564(4) A, α=65.64(4), β=76.09(4), γ=86.25(3) o for 1 and a=8.566(2), b=9.117(2), c=12.619(3) A, α=71.05(2), β=83.48(4), γ=61.32(3) o for 2, being Z=2 for both compounds. The crystal structure of the three-dimensional 1 is constructed from layers linked between them through the pyrazine molecules. The sheets are formed by edge-shared [Ni 2 O 6 (H 2 O) 2 N 2 ] nickel(II) dimers octahedra and rings composed by four [V 4 O 12 ] vanadium(V) tetrahedra linked through vertices. The crystal structure of 2 is formed from vertex shared [VO 4 ] tetrahedra that give rise to twelve member rings. [NiO 4 (C 4 H 4 N 2 ) 2 ] ∞ chains, resulting from [NiO 4 N 2 ] octahedra and pyrazine molecules, give rise to a 3D skeleton when connecting to [VO 4 ] tetrahedra. Diffuse reflectance measurements of 1 indicate a slightly distorted octahedral geometry with values of Dq=880, B=980 and C=2700 cm -1 . Magnetic measurements of 1, carried out in the 5.0-300 K range, indicate the existence of antiferromagnetic couplings with a Neel temperature near to 38 K. - Graphical abstract: Crystal structure of a sheet of Ni 2 (C 4 H 4 N 2 )(V 4 O 12 )(H 2 O) 2

New Molecular Detections in TMC-1 with the Green Bank Telescope: Carbon-Chain and Aromatic Molecules

Science.gov (United States)

Burkhardt, Andrew Michael

2018-01-01

Polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic nitrogen heterocycles PA(N)Hs are believed to be widespread throughout the Universe, and are likely responsible for the unidentified infrared bands. However, the individual detection of aromatic molecules has been limited to a single weak absorption feature of an infrared bending mode of benzene (c-C6H6). The cold core TMC-1 has long been a source of new molecular detections, particularly for unsaturated carbon-rich molecules that are appealing potential precursors of PA(N)Hs. Through deep observations with the Green Bank Telescope of TMC-1, we report the first rotational detection of an aromatic molecule, benzonitrile (c-C6H5CN), along with 8 new isotopologues of HC5N and HC7N and an entirely new molecular family (HC5O, HC7O). These new detections provide crucial insights to the formation of PAHs and the underlying carbon-chain chemistry of dark clouds.

High strain rate tensile behavior of Al-4.8Cu-1.2Mg alloy

International Nuclear Information System (INIS)

Bobbili, Ravindranadh; Paman, Ashish; Madhu, V.

2016-01-01

The purpose of the current study is to perform quasi static and high strain rate tensile tests on Al-4.8Cu-1.2Mg alloy under different strain rates ranging from 0.01–3500/s and also at temperatures of 25,100, 200 and 300 °C. The combined effect of strain rate, temperature and stress triaxiality on the material behavior is studied by testing both smooth and notched specimens. Johnson–Cook (J–C) constitutive and fracture models are established based on high strain rate tensile data obtained from Split hopkinson tension bar (SHTB) and quasi-static tests. By modifying the strain hardening and strain rate hardening terms in the Johnson–Cook (J–C) constitutive model, a new J–C constitutive model of Al-4.8Cu-1.2Mg alloy was obtained. The improved Johnson–Cook constitutive model matched the experiment results very well. With the Johnson–Cook constitutive and fracture models, numerical simulations of tensile tests at different conditions for Al-4.8Cu-1.2Mg alloy were conducted. Numerical simulations are performed using a non-linear explicit finite element code autodyn. Good agreement is obtained between the numerical simulation results and the experiment results. The fracture surfaces of specimens tested under various strain rates and temperatures were studied under scanning electron microscopy (SEM).

Novel Cholinesterase Inhibitors Based on O-Aromatic N,N-Disubstituted Carbamates and Thiocarbamates

Directory of Open Access Journals (Sweden)

Martin Krátký

2016-02-01

Full Text Available Based on the presence of carbamoyl moiety, twenty salicylanilide N,N-disubstituted (thiocarbamates were investigated using Ellman’s method for their ability to inhibit acetylcholinesterase (AChE and butyrylcholinesterase (BChE. O-Aromatic (thiocarbamates exhibited weak to moderate inhibition of both cholinesterases with IC50 values within the range of 1.60 to 311.0 µM. IC50 values for BChE were mostly lower than those obtained for AChE; four derivatives showed distinct selectivity for BChE. All of the (thiocarbamates produced a stronger inhibition of AChE than rivastigmine, and five of them inhibited BChE more effectively than both established drugs rivastigmine and galantamine. In general, 5-chloro-2-hydroxy-N-[4-(trifluoromethyl-phenyl]benzamide, 2-hydroxy-N-phenylbenzamide as well as N-methyl-N-phenyl carbamate derivatives led to the more potent inhibition. O-{4-Chloro-2-[(4-chlorophenylcarbamoyl]phenyl} dimethylcarbamothioate was identified as the most effective AChE inhibitor (IC50 = 38.98 µM, while 2-(phenylcarbamoylphenyl diphenylcarbamate produced the lowest IC50 value for BChE (1.60 µM. Results from molecular docking studies suggest that carbamate compounds, especially N,N-diphenyl substituted representatives with considerable portion of aromatic moieties may work as non-covalent inhibitors displaying many interactions at peripheral anionic sites of both enzymes. Mild cytotoxicity for HepG2 cells and consequent satisfactory calculated selectivity indexes qualify several derivatives for further optimization.

Photocatalytic oxidation of aromatic amines using MnO2@g ...

Science.gov (United States)

An efficient and direct oxidation of aromatic amines to aromatic azo-compounds has been achieved using a MnO2@g-C3N4 catalyst under visible light as a source of energy at room temperature Prepared for submission to the journal, Advanced Materials Letters.

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.

Science.gov (United States)

Kókai, Eszter; Simig, Gyula; Volk, Balázs

2016-12-26

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.

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

Directory of Open Access Journals (Sweden)

Eszter Kókai

2016-12-01

Full Text Available 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.

Cross sections for 12C+12C→12C(0+2)+12C(g.s.) using breathing mode doorways

International Nuclear Information System (INIS)

Ahmed, M.U.; Beres, W.P.

1982-01-01

A previously derived projection operator method is applied to the calculation of the cross section for 12 C+ 12 C→ 12 C(0 + 2 )+ 12 C(g.s.) with a breathing mode model being used to describe the 0 + 2 (7.68 MeV) state of 12 C. The relationship to processes leading to alpha particle channels is discussed. The cross section for 12 C+ 12 C→ 12 C(3 - )+ 12 C(g.s.) is also calculated and possible correlations with inelastic scattering to the 0 + 2 and 2 + states of 12 C are discussed. The results for both 0 + 2 and 3 - inelastic scattering are in reasonable agreement with experiment

48 CFR 12.211 - Technical data.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Technical data. 12.211... ACQUISITION OF COMMERCIAL ITEMS Special Requirements for the Acquisition of Commercial Items 12.211 Technical data. Except as provided by agency-specific statutes, the Government shall acquire only the technical...

Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules

KAUST Repository

Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan

2017-01-01

A series of new polycyclic aromatic hydrocarbon compounds based on (4,10-disubstituted-dibenzo[def,mno]chrysene-6,12-dione) and 4,10 di-substituted 6,12-bis(triisopropylsilylethynyl)dibenzo[def,mno]chrysene are reported with tunable electronic properties through varied molecular architecture. Starting with an inexpensive commercially available textile dye known as Vat Orange #3, (4,10-dibromo-dibenzo[def,mno] chrysene-6,12-dione) we extended the conjugation at the 4- and 10-positions by the attachment of both electron rich and deficient hexylvinylphthalimide, thiophene, hexylthiophene, triphenylamine, and hexylbithiophene aromatic groups, and studied the resultant optoelectronic properties. By applying various synthetic metal-catalyzed reactions, soluble dibenzo[def,mno]chrysene and dibenzo[def,mno]chrysene-6,12-dione derivatives were achieved with optical edge band gaps between 2.30 eV and 1.65 eV.

Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules

KAUST Repository

Koldemir, Unsal

2017-07-14

A series of new polycyclic aromatic hydrocarbon compounds based on (4,10-disubstituted-dibenzo[def,mno]chrysene-6,12-dione) and 4,10 di-substituted 6,12-bis(triisopropylsilylethynyl)dibenzo[def,mno]chrysene are reported with tunable electronic properties through varied molecular architecture. Starting with an inexpensive commercially available textile dye known as Vat Orange #3, (4,10-dibromo-dibenzo[def,mno] chrysene-6,12-dione) we extended the conjugation at the 4- and 10-positions by the attachment of both electron rich and deficient hexylvinylphthalimide, thiophene, hexylthiophene, triphenylamine, and hexylbithiophene aromatic groups, and studied the resultant optoelectronic properties. By applying various synthetic metal-catalyzed reactions, soluble dibenzo[def,mno]chrysene and dibenzo[def,mno]chrysene-6,12-dione derivatives were achieved with optical edge band gaps between 2.30 eV and 1.65 eV.

Transformations of Aromatic Compounds by Nitrosomonas europaea

OpenAIRE

Keener, William K.; Arp, Daniel J.

1994-01-01

Benzene and a variety of substituted benzenes inhibited ammonia oxidation by intact cells of Nitrosomonas europaea. In most cases, the inhibition was accompanied by transformation of the aromatic compound to a more oxidized product or products. All products detected were aromatic, and substituents were often oxidized but were not separated from the benzene ring. Most transformations were enhanced by (NH4)2SO4 (12.5 mM) and were prevented by C2H2, a mechanism-based inactivator of ammonia monoo...

48 CFR 12.214 - Cost Accounting Standards.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Cost Accounting Standards. 12.214 Section 12.214 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... Items 12.214 Cost Accounting Standards. Cost Accounting Standards (CAS) do not apply to contracts and...

Structure and stability of nonstoichiometric cubic phase δ-NbN1.2(O,C)

International Nuclear Information System (INIS)

Shalaeva, E.V.; Mitrofanov, B.V.; Shveikin, G.P.

1996-01-01

The nonstoichiometric δ-niobium nitride with surplus content of nitrogen atoms and the NaCl-type structure (a=0.439 nm), i.e. δ-NbN 1.2 (O, C), is stabilized in epitaxial deposited films. The diffraction patterns of these films display intensive diffuse scattering with regular intensity vanishings in the form of plane regions in the vicinity of structural and superstructural reciprocal space points of the δ-phase and in the form of spherical surfaces in the neighbourhood of structural points. The analysis performed shows that this scattering can be associated with the presence of mixed-nature short-range order regions in the nonstoichiometric δ-NbN 1.2 (O, C) phase which are characterized by longitudinal uncorrelated atomic displacement waves, as well as by concentration-type waves. The ordered oxycarbonitride phase (X-phase) described in the first approximation by the cubic lattice with parameter a=0.392 nm is found to precipitate when annealing the films at T=873 K. It has been established that the diffuse scattering occurring in δ-NbN 1.2 (O, C) and the structure of short-range order regions exhibit certain correlation with the structure of the precipitated ordered phase - G 100 x ∼1.1G 100 δ = K 1 ; G 010 x ∼1.1G 010 δ = K 2 (where K 1 and K 2 are wave vectors of longitudinal atomic displacement waves characterizing short-range order). (orig.)

A two-dimensional conjugated aromatic polymer via C-C coupling reaction

Science.gov (United States)

Liu, Wei; Luo, Xin; Bao, Yang; Liu, Yan Peng; Ning, Guo-Hong; Abdelwahab, Ibrahim; Li, Linjun; Nai, Chang Tai; Hu, Zhi Gang; Zhao, Dan; Liu, Bin; Quek, Su Ying; Loh, Kian Ping

2017-06-01

The fabrication of crystalline 2D conjugated polymers with well-defined repeating units and in-built porosity presents a significant challenge to synthetic chemists. Yet they present an appealing target because of their desirable physical and electronic properties. Here we report the preparation of a 2D conjugated aromatic polymer synthesized via C-C coupling reactions between tetrabromopolyaromatic monomers. Pre-arranged monomers in the bulk crystal undergo C-C coupling driven by endogenous solid-state polymerization to produce a crystalline polymer, which can be mechanically exfoliated into micrometre-sized lamellar sheets with a thickness of 1 nm. Isothermal gas-sorption measurements of the bulk material reveal a dominant pore size of ~0.6 nm, which indicates uniform open channels from the eclipsed stacking of the sheets. When employed as an organic anode in an ambient-temperature sodium cell, the material allows a fast charge/discharge of sodium ions, with impressive reversible capacity, rate capability and stability metrics.

Biosynthetically directed fractional 13C labeling facilitates identification of Phe and Tyr aromatic signals in proteins

International Nuclear Information System (INIS)

Jacob, Jaison; Louis, John M.; Nesheiwat, Issa; Torchia, Dennis A.

2002-01-01

Analysis of 2D [ 13 C, 1 H]-HSQC spectra of biosynthetic fractionally 13 C labeled proteins is a reliable, straightforward means to obtain stereospecific assignments of Val and Leu methyl sites in proteins. Herein we show that the same fractionally labeled protein sample facilitates observation and identification of Phe and Tyr aromatic signals. This is the case, in part, because the fractional 13 C labeling yields aromatic rings in which some of the 13 C- 13 C J-couplings, present in uniformly labeled samples, are absent. Also, the number of homonuclear J-coupling partners differs for the δ-, ε- and ζ-carbons. This enabled us to vary their signal intensities in distinctly different ways by appropriately setting the 13 C constant-time period in 2D [ 13 C, 1 H]-HSQC spectra. We illustrate the application of this approach to an 18 kDa protein, c-VIAF, a modulator of apoptosis. In addition, we show that cancellation of the aromatic 13 C CSA and 13 C- 1 H dipolar interactions can be fruitfully utilized in the case of the fractionally labeled sample to obtain high resolution 13 C constant-time spectra with good sensitivity

Microscopic investigation of the 12C + 12C interaction

International Nuclear Information System (INIS)

Baye, D.; Pecher, N.; Brussels Univ.

1982-01-01

The 12 C + 12 C system is studied in the framework of the generator coordinate method. Each 12 C nucleus is described by a closed psub(3/2) subshell. Phase shifts and resonances are determined for several effective two-body interactions involving a spin-orbit term. The existence and properties of simple local equivalent potentials for the 12 C + 12 C collision are discussed. The 12 C + 12 C system is too light to be well described by potentials independent of the angular momentum or weakly dependent on it. (orig.)

Excitation functions of the systems 12C+14C and 13C+12C

International Nuclear Information System (INIS)

Haindl, E.

1975-01-01

The excitation functions of the systems 12 C+ 14 C and 13 C+ 12 C are investigated for different exit channels. The excitation functions measured do not show correlated structures as in the system 12 C+ 12 C. (WL/AK) [de

Enhancement of Palmarumycin C12 and C13 Production by the Endophytic Fungus Berkleasmium sp. Dzf12 in an Aqueous-Organic Solvent System

OpenAIRE

Mou, Yan; Xu, Dan; Mao, Ziling; Dong, Xuejiao; Lin, Fengke; Wang, Ali; Lai, Daowan; Zhou, Ligang; Xie, Bingyan

2015-01-01

The endophytic fungus Berkleasmium sp. Dzf12, isolated from Dioscorea zingiberensis, was found to produce palmarumycins C12 and C13 which possess a great variety of biological activities. Seven biocompatible water-immiscible organic solvents including n-dodecane, n-hexadecane, 1-hexadecene, liquid paraffin, dibutyl phthalate, butyl oleate and oleic acid were evaluated to improve palmarumycins C12 and C13 production in suspension culture of Berkleasmium sp. Dzf12. Among the chosen solvents bot...

N-type doping effect of single-walled carbon nanotubes with aromatic amines

Energy Technology Data Exchange (ETDEWEB)

Koizhaiganova, Raushan B.; Hwang, Doo Hee; Lee, Cheol Jin; Dettlaff-Weglikowska, Urszula [School of Electrical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Roth, Siegmar [School of Electrical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Sineurop Nanotech GmbH, Nobelstreet15, 70569 Stuttgart (Germany)

2010-12-15

We investigated the chemical doping of the single-walled carbon nanotubes (SWCNTs) networks by a treatment with aromatic amines. Adsorption and intercalation of amine molecules in bundled SWCNTs leads to typical n-type doping observed already for alkali metals. The electron donation to SWCNTs is demonstrated by the X-ray-induced photoelectron spectra (XPS), where the carbon C 1s peak observed at 284.4 eV for the sp{sup 2} carbon in pristine samples is shifted by up to 0.3 eV to higher binding energy upon chemical treatment. The development of a Breit-Wigner-Fano component on the lower energy side of the G{sup -} mode in the Raman spectrum as well as a shift of the G{sup +} to lower frequency provide evidence for charge accumulation in the nanotube {pi} system, and indication for the n-type doping. The spectroscopic changes are accompanied by the modification of the electrical properties of the SWCNTs. A reduction of conductivity depends on the doping level and implies the decreasing concentration of the charge carriers in the naturally p-doped tubes. Comparing the two selected n-type dopants, the tetramethyl-p-phenylenediamine, shows more pronounced changes in the XPS and the Raman spectra than tetramethylpyrazine, indicating that the sp{sup 3} hybridization of nitrogen in the amine groups attached to phenyl ring is much more effective in interaction with the tube {pi} system than the sp{sup 2} hybridization of nitrogen in the aromatic pyrazine ring. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

N-Chloro and N-bromosaccharins: valuable reagents for halogenation of electron rich aromatics and cohalogenation of alkenes

Directory of Open Access Journals (Sweden)

Souza Soraia P. L. de

2003-01-01

Full Text Available N-Chloro- and N-bromosaccharins react with electron rich aromatic compounds (anisole, acetanilide, N,N-dimethylaniline producing halogenated compounds. The reaction with N-bromosaccharin gives para- substituted compounds only, whereas N-chlorosaccharin produces orto and para mixtures (para isomer predominantly, ca. 4-5 : 1. The reactions of the N-halosaccharins with alkenes (cyclohexene, styrene, a-methylstyrene, and 1-hexene give the corresponding halohydrins.

Ionic Liquids as Benign Solvents for the Extraction of Aromatics

International Nuclear Information System (INIS)

Hossain, Md. Anwar; Lee, Jeesun; Kim, Dai Hyun; Nguyen, Dinh Quan; Cheong, Minserk; Kim, Hoon Sik

2012-01-01

Ionic liquids (ILs) have been extensively investigated as promising alternatives to conventional organic solvents such as sulfolane and N,N-dimethylformamide for the selective extraction of aromatic hydrocarbons from the C 6 -C 10 hydrocarbon mixtures produced from the cracking processes of naphtha and light oils. The most important advantage of ILs over conventional organic solvents is that they are immiscible with aliphatic hydrocarbons, and thus the back extraction of ILs from the raffinate phases and top hydrocarbon-rich layers is not necessary. In this paper, a brief review on the state of the art in the utilization of ILs for aromatics separation is presented

Cobalt-catalyzed C-H olefination of aromatics with unactivated alkenes.

Science.gov (United States)

Manoharan, Ramasamy; Sivakumar, Ganesan; Jeganmohan, Masilamani

2016-08-18

A cobalt-catalyzed C-H olefination of aromatic and heteroaromatic amides with unactivated alkenes, allyl acetates and allyl alcohols is described. This method offers an efficient route for the synthesis of vinyl and allyl benzamides in a highly stereoselective manner. It is observed that the ortho substituent on the benzamide moiety is crucial for the observation of allylated products in unactivated alkenes.

Screening effects on 12C+12C fusion reaction

Science.gov (United States)

Koyuncu, F.; Soylu, A.

2018-05-01

One of the important reactions for nucleosynthesis in the carbon burning phase in high-mass stars is the 12C+12C fusion reaction. In this study, we investigate the influences of the nuclear potentials and screening effect on astrophysically interesting 12C+12C fusion reaction observables at sub-barrier energies by using the microscopic α–α double folding cluster (DFC) potential and the proximity potential. In order to model the screening effects on the experimental data, a more general exponential cosine screened Coulomb (MGECSC) potential including Debye and quantum plasma cases has been considered in the calculations for the 12C+12C fusion reaction. In the calculations of the reaction observables, the semi-classical Wentzel-Kramers-Brillouin (WKB) approach and coupled channel (CC) formalism have been used. Moreover, in order to investigate how the potentials between 12C nuclei produce molecular cluster states of 24Mg, the normalized resonant energy states of 24Mg cluster bands have been calculated for the DFC potential. By analyzing the results produced from the fusion of 12C+12C, it is found that taking into account the screening effects in terms of MGECSC is important for explaining the 12C+12C fusion data, and the microscopic DFC potential is better than the proximity potential in explaining the experimental data, also considering that clustering is dominant for the structure of the 24Mg nucleus. Supported by the Turkish Science and Research Council (TÜBİTAK) with (117R015)

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-02-15

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

The 12C/13C Isotopic Ratio in Planetary Nebulae as Deduced from IUE Data

Science.gov (United States)

Miskey, C. L.; Feibelman, W. A.; Bruhweiler, F. C.

2000-05-01

The relative abundances of C, N, and O and the isotopic ratio of 12C/13C represent tracers of nucleosynthesis in intermediate stars with main-sequence masses between 0.6 and 8.0 solar masses in our Galaxy. Determining these abundances and the isotopic 12C/13C ratio in planetary nebulae (PNe) represent perhaps the best means to discern exactly how the ISM is enriched by CNO stellar nucleosynthesis. Walsh et al. (1996) and Clegg et al. (1997), using the Hubble Space Telescope, have derived the isotopic 12C/13C abundance ratio in the galactic carbon-rich PN, NGC 3918, and placed marginal constraints on it for the Magellanic PNe, N2 (SMC) and N122 (LMC). This was done using the well-known 12C 3P-1S (J=1-0 and J=2-0) transitions of C+2 at 1906.68 Angstroms and 1908.77 Angstroms and a J=0-0 transition at 1909.6 Angstroms, which is strictly forbidden in 12C. The finite nuclear spin of 13C (I=1/2) permits a corresponding F=1/2-1/2 electric dipole transition not seen in 12C. Since the 1909.6 Angstroms line is well separated from the other two 12C transitions, it provides an important means of determining 12C/13C in planetary nebulae. We have just completed a search of archival International Ultraviolet Explorer (IUE) high-dispersion spectra of approximately three dozen PNe, and derived 12C/13C ratios of 39 and 23 for the galactic PNe, NGC 2440 and NGC 6302, respectively. These are values much lower than the solar value of 89. In the other objects, the limited S/N of the IUE data indicate 12C/13C ratio upper limits much higher than 50. The implications of these results and their pertinence to stellar evolution are discussed.

[N,N-Bis(2-aminoethylethane-1,2-diamine](ethane-1,2-diaminenickel(II thiosulfate trihydrate

Directory of Open Access Journals (Sweden)

Beatrix Seidlhofer

2012-02-01

Full Text Available The title compound, [Ni(C2H8N2(C6H18N4]S2O3·3H2O, was accidentally synthesized under solvothermal conditions applying [Ni(en3]Cl2 (en is ethane-1,2-diamine as the Ni source. The asymmetric unit consists of one discrete [Ni(tren(en]2+ complex [tren is N,N-bis(2-aminoethylethane-1,2-diamine] in which the Ni2+ cation is sixfold coordinated within a slightly distorted octahedron, one thiosulfate anion and three water molecules. In the crystal, the complex cations, anions and water molecules are linked by an intricate hydrogen-bonding network. One C atom of the tren ligand, as well as one O atom of a water molecule, are disordered over two sites and were refined using a split model (occupancy ratios = 0.85:15 and 0.60:0.40, respectively.

Manganese-Catalyzed Aminomethylation of Aromatic Compounds with Methanol as a Sustainable C1 Building Block.

Science.gov (United States)

Mastalir, Matthias; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl

2017-07-05

This study represents the first example of a manganese-catalyzed environmentally benign, practical three-component aminomethylation of activated aromatic compounds including naphtols, phenols, pyridines, indoles, carbazoles, and thiophenes in combination with amines and MeOH as a C1 source. These reactions proceed with high atom efficiency via a sequence of dehydrogenation and condensation steps which give rise to selective C-C and C-N bond formations, thereby releasing hydrogen and water. A well-defined hydride Mn(I) PNP pincer complex, recently developed in our laboratory, catalyzes this process in a very efficient way, and a total of 28 different aminomethylated products were synthesized and isolated yields of up to 91%. In a preliminary study, a related Fe(II) PNP pincer complex was shown to catalyze the methylation of 2-naphtol rather than its aminomethylation displaying again the divergent behavior of isoelectronic Mn(I) and Fe(II) PNP pincer systems.

Enhancement of Palmarumycin C12 and C13 Production by the Endophytic Fungus Berkleasmium sp. Dzf12 in an Aqueous-Organic Solvent System.

Science.gov (United States)

Mou, Yan; Xu, Dan; Mao, Ziling; Dong, Xuejiao; Lin, Fengke; Wang, Ali; Lai, Daowan; Zhou, Ligang; Xie, Bingyan

2015-11-12

The endophytic fungus Berkleasmium sp. Dzf12, isolated from Dioscorea zingiberensis, was found to produce palmarumycins C12 and C13 which possess a great variety of biological activities. Seven biocompatible water-immiscible organic solvents including n-dodecane, n-hexadecane, 1-hexadecene, liquid paraffin, dibutyl phthalate, butyl oleate and oleic acid were evaluated to improve palmarumycins C12 and C13 production in suspension culture of Berkleasmium sp. Dzf12. Among the chosen solvents both butyl oleate and liquid paraffin were the most effective to improve palmarumycins C12 and C13 production. The addition of dibutyl phthalate, butyl oleate and oleic acid to the cultures of Berkleasmium sp. Dzf12 significantly enhanced palmarumycin C12 production by adsorbing palmarumycin C12 into the organic phase. When butyl oleate was fed at 5% (v/v) in medium at the beginning of fermentation (day 0), the highest palmarumycin C12 yield (191.6 mg/L) was achieved, about a 34.87-fold increase in comparison with the control (5.3 mg/L). n-Dodecane, 1-hexadecene and liquid paraffin had a great influence on the production of palmarumycin C13. When liquid paraffin was added at 10% (v/v) in medium on day 3 of fermentation, the palmarumycin C13 yield reached a maximum value (134.1 mg/L), which was 4.35-fold that of the control (30.8 mg/L). Application of the aqueous-organic solvent system should be a simple and efficient process strategy for enhancing palmarumycin C12 and C13 production in liquid cultures of the endophytic fungus Berkleasmium sp. Dzf12.

Enhancement of Palmarumycin C12 and C13 Production by the Endophytic Fungus Berkleasmium sp. Dzf12 in an Aqueous-Organic Solvent System

Directory of Open Access Journals (Sweden)

Yan Mou

2015-11-01

Full Text Available The endophytic fungus Berkleasmium sp. Dzf12, isolated from Dioscorea zingiberensis, was found to produce palmarumycins C12 and C13 which possess a great variety of biological activities. Seven biocompatible water-immiscible organic solvents including n-dodecane, n-hexadecane, 1-hexadecene, liquid paraffin, dibutyl phthalate, butyl oleate and oleic acid were evaluated to improve palmarumycins C12 and C13 production in suspension culture of Berkleasmium sp. Dzf12. Among the chosen solvents both butyl oleate and liquid paraffin were the most effective to improve palmarumycins C12 and C13 production. The addition of dibutyl phthalate, butyl oleate and oleic acid to the cultures of Berkleasmium sp. Dzf12 significantly enhanced palmarumycin C12 production by adsorbing palmarumycin C12 into the organic phase. When butyl oleate was fed at 5% (v/v in medium at the beginning of fermentation (day 0, the highest palmarumycin C12 yield (191.6 mg/L was achieved, about a 34.87-fold increase in comparison with the control (5.3 mg/L. n-Dodecane, 1-hexadecene and liquid paraffin had a great influence on the production of palmarumycin C13. When liquid paraffin was added at 10% (v/v in medium on day 3 of fermentation, the palmarumycin C13 yield reached a maximum value (134.1 mg/L, which was 4.35-fold that of the control (30.8 mg/L. Application of the aqueous-organic solvent system should be a simple and efficient process strategy for enhancing palmarumycin C12 and C13 production in liquid cultures of the endophytic fungus Berkleasmium sp. Dzf12.

Investigation of low spin resonances in the 12C+12C and 16O+12C systems

International Nuclear Information System (INIS)

Uzureau, J.L.; Fieni, J.M.; Cocu, F.; Michaudon, A.

1979-01-01

The excitation functions of the 12 C( 12 C,α) 20 Ne and 12 C( 16 O,α) 24 Mg reactions were measured at different angles below the Coulomb barrier. Resonant structures were found at Esub(cm)=5.80 MeV in the 12 C+ 12 C system and at Esub(cm)=6.10 MeV in the 16 O+ 12 C system. From the analysis of angular distributions measured at the previous resonant energies, values of respectively Jsup(π)=0 + and 2 + have been deduced [fr

Resonances in the nuclear reactions 15N + 12C and 15N + 16O

International Nuclear Information System (INIS)

Monnehan, G.A.

1987-06-01

The reaction 12 C + 15 N have been studied at 15 N beam energies between 30 and 70 MeV. For each reaction, about twelve residual nuclei have been identified through the γ-ray detection method. Excitation functions were obtained for the fusion and peripheral channels. Resonances are seen in the channels containing at least one α particle at energies below 50 MeV. At higher energies, strong structures are observed in the direct reaction channels. The evolution of the fusion cross section is well reproduced by a model based on the statistical desexcitation of the compound nucleus if the discrete states of the residual nuclei are taken into account. The favourable observation of resonant phenomena in 15 N induced reactions can be understood in terms of a small number of channels open to the grazing wave. In the range 50 to 60 MeV, there is a strong coupling between the fusion and the direct reaction channels. The occurrence of resonances above E lab = 50 MeV in the peripheral channels is explained with the band crossing and effective barrier models. In the 15 N induced reactions, the absorption of the surface waves is weak [fr

Probing the Statistical Decay and α-clustering effects in 12C + 12C and 14N + 10B reactions

Directory of Open Access Journals (Sweden)

Morelli L.

2014-03-01

Full Text Available An experimental campaign has been undertaken at Laboratori Nazionali di Legnaro (LNL INFN, Italy, in order to progress in our understanding of the statistical properties of light nuclei at excitation energies above particle emission threshold, by measuring exclusive data from fusion-evaporation reactions. On the experimental side, a first reaction: 12C+12C at 95 MeV beam energy has been measured, using the GARFIELD + Ring Counter (RCo apparatuses. Fusion-evaporation events have been exclusively selected out of the entire data set. The comparison to a dedicated Hauser-Feshbach calculation allows us to give constraints on the nuclear level density at high excitation energy for light systems ranging from C up to Mg. Out-of-equilibrium aα emission has been evidenced and attributed both to an entrance channel effect (favoured by the cluster nature of reaction partners, and, in more dissipative events, to the persistence of cluster correlations well above the 24Mg threshold for 6 α’s decay. In order to study the same 24Mg compound nucleus at similar excitation energy with respect to this first reaction a new measurement, 14N + 10B at 5.7 A.MeV, was performed at LNL laboratories with the same experimental setup. The comparison between the two systems would allow us to further constrain the level density of light nuclei in the mass-excitation energy range of interest. In this perspective, deviations from a statistical behaviour can be used as a tool to get information on nuclear clustering, both in the ground-state for projectile and target and in the hot source formed in the collision.

The Study of NADPH-Dependent Flavoenzyme-Catalyzed Reduction of Benzo[1,2-c]1,2,5-oxadiazole N-Oxides (Benzofuroxans

Directory of Open Access Journals (Sweden)

Jonas Šarlauskas

2014-12-01

Full Text Available The enzymatic reactivity of a series of benzo[1,2-c]1,2,5-oxadiazole N-oxides (benzofuroxans; BFXs towards mammalian single-electron transferring NADPH:cytochrome P-450 reductase (P-450R and two-electron (hydride transferring NAD(PH:quinone oxidoreductase (NQO1 was examined in this work. Since the =N+ (→OO− moiety of furoxan fragments of BFXs bears some similarity to the aromatic nitro-group, the reactivity of BFXs was compared to that of nitro-aromatic compounds (NACs whose reduction mechanisms by these and other related flavoenzymes have been extensively investigated. The reduction of BFXs by both P-450R and NQO1 was accompanied by O2 uptake, which was much lower than the NADPH oxidation rate; except for annelated BFXs, whose reduction was followed by the production of peroxide. In order to analyze the possible quantitative structure-activity relationships (QSARs of the enzymatic reactivity of the compounds, their electron-accepting potency and other reactivity indices were assessed by quantum mechanical methods. In P-450R-catalyzed reactions, both BFXs and NACs showed the same reactivity dependence on their electron-accepting potency which might be consistent with an “outer sphere” electron transfer mechanism. In NQO1-catalyzed two-electron (hydride transferring reactions, BFXs acted as more efficient substrates than NACs, and the reduction efficacy of BFXs by NQO1 was in general higher than by single-electron transferring P-450R. In NQO1-catalyzed reactions, QSARs obtained showed that the reduction efficacy of BFXs, as well as that of NACs, was determined by their electron-accepting potency and could be influenced by their binding mode in the active center of NQO1 and by their global softness as their electronic characteristic. The reductive conversion of benzofuroxan by both flavoenzymes yielded the same reduction product of benzofuroxan, 2,3-diaminophenazine, with the formation of o-benzoquinone dioxime as a putative primary

The reaction of astatine with aromatic diazonium compounds

International Nuclear Information System (INIS)

Visser, G.W.M.; Diemer, E.L.

1982-01-01

Astatine reacts prefrentially with that type of aromatic diazonium salt that decomposes via a radical reaction channel (homolytic breakage of the C-N bond). The dediazonation with p-aminobenzoic acid and p-toluidine as model compounds was investigated through estatin produced in the 209 Bi(α,2n) 211 At reaction. (author)

NMR 1H,13C, 15N backbone and 13C side chain resonance assignment of the G12C mutant of human K-Ras bound to GDP.

Science.gov (United States)

Sharma, Alok K; Lee, Seung-Joo; Rigby, Alan C; Townson, Sharon A

2018-05-02

K-Ras is a key driver of oncogenesis, accounting for approximately 80% of Ras-driven human cancers. The small GTPase cycles between an inactive, GDP-bound and an active, GTP-bound state, regulated by guanine nucleotide exchange factors and GTPase activating proteins, respectively. Activated K-Ras regulates cell proliferation, differentiation and survival by signaling through several effector pathways, including Raf-MAPK. Oncogenic mutations that impair the GTPase activity of K-Ras result in a hyperactivated state, leading to uncontrolled cellular proliferation and tumorogenesis. A cysteine mutation at glycine 12 is commonly found in K-Ras associated cancers, and has become a recent focus for therapeutic intervention. We report here 1 H N, 15 N, and 13 C resonance assignments for the 19.3 kDa (aa 1-169) human K-Ras protein harboring an oncogenic G12C mutation in the GDP-bound form (K-RAS G12C-GDP ), using heteronuclear, multidimensional NMR spectroscopy. Backbone 1 H- 15 N correlations have been assigned for all non-proline residues, except for the first methionine residue.

48 CFR 12.212 - Computer software.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Computer software. 12.212... software. (a) Commercial computer software or commercial computer software documentation shall be acquired... required to— (1) Furnish technical information related to commercial computer software or commercial...

Quantum-chemical investigation of the 1,2-proton shift in protonated five-membered aromatic heterocycles

International Nuclear Information System (INIS)

Abronin, I.A.; Gorb, L.G.; Litvinov, V.P.

1985-01-01

Calculations of the energetics of the 1,2-proton shift in protonated five-membered aromatic heterocycles - pyrrole, furan, and thiophene - have been carried out by the SCF MO LCAO method in the MINDO/3 approximation and nonempirically on the OST-3GF (OST-3GF) basis. The general features of this process, and also the influence of solvation and of taking into account the vacant d-AOs of the sulfur atom in the protonated form of thiophene on the results of the calculation are considered. The results obtained have been used for a discussion of the activity and selectivity of the heterocycles considered in aromatic electrophilic substitution reactions

Mineralization of polycyclic and n-heterocyclic aromatic compounds in hydrocarbon-contaminated soils

International Nuclear Information System (INIS)

Grosser, R.J.; Warshawsky, D.; Vestal, J.R.

1995-01-01

The comparative mineralization of eight polycyclic aromatic compounds in five soils collected from an abandoned coal tar refinery in eastern Ohio was determined. The soils showed differences only in total extractable hydrocarbon content of the soil chemical characteristics measured. The compounds studied included five polycyclic aromatic hydrocarbons (phenanthrene, anthracene, pyrene, and carcinogenic benz[a]anthracene and benzo[a]pyrene) and three N-heterocyclic aromatics (9H-carbazole, and carcinogenic 7H-dibenzo[c,g]carbazole and dibenz[a,j]acridine). Mineralization was measured by serum bottle radiorespirometry. Only phenanthrene, anthracene, pyrene, benz[a]anthracene, and carbazole were mineralized in the soils after 64 d. Two of the soils with eight to 15 times the hexane -extractable hydrocarbon content consistently showed more rapid initial rates and higher overall extents of mineralization compared to the other three soils. Overall extents of mineralization ranged from 38 to 55% for phenanthrene, 10 to 60% for anthracene, 25 to 70% for pyrene, background to 40% for benz[a]anthracene, and 25 to 50% for carbazole after 64 d. Extents of mineralization by indigenous soil microbiota appear to be more dependent on the chemical characteristics of the soil and not soil total biomass and activity. Cultures capable of degrading phenanthrene, anthracene, and pyrene were obtained following enrichment techniques. A Mycobacterium sp. capable of degrading these three compounds was isolated and reintroduced into two of the soils, resulting in mineralization enhanced above that of the indigenous soil microbial population. These data indicate that the future success of bioremediation methods relies on the characterization of environmental parameters affecting microbial degradation as well as the isolation of microbial populations that can reduce toxicity in the environment

Presence of aliphatic and polycyclic aromatic hydrocarbons in near-surface sediments of an oil spill area in Bohai Sea.

Science.gov (United States)

Li, Shuanglin; Zhang, Shengyin; Dong, Heping; Zhao, Qingfang; Cao, Chunhui

2015-11-15

In order to determine the source of organic matter and the fingerprint of the oil components, 50 samples collected from the near-surface sediments of the oil spill area in Bohai Sea, China, were analyzed for grain size, total organic carbon, aliphatic hydrocarbons (AHs), and polycyclic aromatic hydrocarbons (PAHs). The concentrations of C15-35 n-alkanes and 16 United States Environmental Protection Agency (US EPA) priority pollutant PAHs were found in the ranges of 0.88-3.48μg g(-1) and 9.97-490.13ng/g, respectively. The terrestrial organic matters characterized by C27-C35 n-alkanes and PAHs, resulting from the combustion of higher plants, are dominantly contributed from the transportation of these plants by rivers. Marine organic matters produced from plankton and aquatic plants were represented by C17-C26 n-alkanes in AHs. Crude oil, characterized by C17-C21 n-alkanes, unresolved complex mixture (UCM) with a mean response factor of C19 n-alkanes, low levels of perylene, and a high InP/(InP+BghiP) ratio, seeped into the oceans from deep hydrocarbon reservoirs, as a result of geological faults. Copyright © 2015 Elsevier Ltd. All rights reserved.

48 CFR 12.210 - Contract financing.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Contract financing. 12.210... financing. Customary market practice for some commercial items may include buyer contract financing. The contracting officer may offer Government financing in accordance with the policies and procedures in part 32. ...

Identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons in a complex mixture of polycyclic aromatic hydrocarbons from coal tar.

Science.gov (United States)

Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara; Wise, Stephen A

2016-04-15

A methodology for the characterization of groups of polycyclic aromatic hydrocarbons (PAHs) using a combination of normal phase liquid chromatography with ultraviolet-visible spectroscopy (NPLC/UV-vis) and gas chromatography with mass spectrometry (GC/MS) was used for the identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons, PAHs, in standard reference material (SRM) 1597a, complex mixture of PAHs from coal tar. The NPLC/UV-vis isolated the fractions based on the number of aromatic carbons and the GC/MS allowed the identification and quantification of five of the nine C26H14 PAH isomers; naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene using a retention time comparison with authentic reference standards. For the other four benzenoid isomers with no available reference standards the following two approaches were used. First, the annellation theory was used to achieve the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene, and second, the elution distribution in the GC fractions was used to support the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene and to reach the tentative identifications of dibenzo[a,ghi]perylene, naphtho[7,8,1,2,3-pqrst]pentaphene, and anthra[2,1,9,8-opqra]naphthacene. It is the first time that naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene are quantified, and the first time that benzo[qr]naphtho[3,2,1,8-defg]chrysene is potentially identified, in any sample, in any context. Copyright © 2016 Elsevier B.V. All rights reserved.

Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

Science.gov (United States)

Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

2006-01-01

Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

Methods for sequential resonance assignment in solid, uniformly 13C, 15N labelled peptides: Quantification and application to antamanide

International Nuclear Information System (INIS)

Detken, Andreas; Hardy, Edme H.; Ernst, Matthias; Kainosho, Masatsune; Kawakami, Toru; Aimoto, Saburo; Meier, Beat H.

2001-01-01

The application of adiabatic polarization-transfer experiments to resonance assignment in solid, uniformly 13 C- 15 N-labelled polypeptides is demonstrated for the cyclic decapeptide antamanide. A homonuclear correlation experiment employing the DREAM sequence for adiabatic dipolar transfer yields a complete assignment of the C α and aliphatic side-chain 13 C resonances to amino acid types. The same information can be obtained from a TOBSY experiment using the recently introduced P9 1 12 TOBSY sequence, which employs the J couplings as a transfer mechanism. A comparison of the two methods is presented. Except for some aromatic phenylalanine resonances, a complete sequence-specific assignment of the 13 C and 15 N resonances in antamanide is achieved by a series of selective or broadband adiabatic triple-resonance experiments. Heteronuclear transfer by adiabatic-passage Hartmann-Hahn cross polarization is combined with adiabatic homonuclear transfer by the DREAM and rotational-resonance tickling sequences into two- and three-dimensional experiments. The performance of these experiments is evaluated quantitatively

α+12C rotational bands in 16O

Directory of Open Access Journals (Sweden)

Katsuma M.

2014-03-01

Full Text Available The total quantum number N of the α+12C rotational bands in 16O is determined by a study of α+12C elastic scattering. The 8+ and 9− states are found around the excitation energy Ex = 30 MeV and they are the member of the known rotational bands. At the same time, the 02+ state (Ex = 6.05 MeV is found to be dominated by N = 8.

Structures, stabilities, aromaticity, and electronic properties of C66 fullerene isomers, anions (C662-, C664-, C666-), and metallofullerenes (Sc2-C66)

International Nuclear Information System (INIS)

Cui Yanhong; Tian, Wei Quan; Feng Jikang; Chen Deli

2010-01-01

Among all the 4478 classical isomers of C 66 , C 66 (C s :0060) with the lowest number of pentagon-pentagon fusions was predicted to be the most stable isomer, followed by isomers C 66 (C 2v :0011) and C 66 (C 2 :0083). The infrared spectra and aromaticity of the most stable isomers were predicted. The relative stabilities of C 66 isomers change with charges or doping of metals. The structures and relative stabilities of the most stable metallofullerenes were delineated and compared with experiment. Sc 2 -C 66 (C 2 :0083) was predicted to be the most stable metallofullerene, although Sc 2 -C 66 (C 2v :0011) was observed. Charge-transfer from Sc 2 to the fused pentagons and the bonding between these two moieties significantly decrease the strain energies caused by the pair of fused pentagons thereby stabilizing the fullerene cage.

Correlation between the synthetic origin of methamphetamine samples and their 15N and 13C stable isotope ratios

International Nuclear Information System (INIS)

Billault, Isabelle; Courant, Frederique; Pasquereau, Leo; Derrien, Solene; Robins, Richard J.; Naulet, Norbert

2007-01-01

The active ingredient of ecstasy, N-methyl-3,4-methyldioxyphenylisopropylamine (MDMA) can be manufactured by a number of easy routes from simple precursors. We have synthesised 45 samples of MDMA following the five most common routes using N-precursors from 12 different origins and three different precursors for the aromatic moiety. The 13 C and 15 N contents of both the precursors and the MDMA samples derived therefrom were measured by isotope ratio mass spectrometry coupled to an elemental analyser (EA-IRMS). We show that within-pathway correlation between the 15 N content of the precursor and that of the derived MDMA can be strong but that no general pattern of correlation can be defined. Rather, it is evident that the δ 15 N values of MDMA are strongly influenced by a combination of the δ 15 N values of the source of nitrogen used, the route by which the MDMA is synthesised, and the experimental conditions employed. Multivariate analysis (PCA) based on the δ 15 N values of the synthetic MDMA and of the δ 15 N and δ 13 C values of the N-precursors leads to good discrimination between the majority of the reaction conditions tested

Resonance analysis of the {sup 12}C,{sup 13}C({alpha},n) reactions and evaluation of neutron yield data of the reaction

Energy Technology Data Exchange (ETDEWEB)

Murata, Toru [AITEL Corp., Tokyo (Japan)

1998-03-01

The {sup 12}C({alpha},n){sup 15}O reaction and the {sup 13}C({alpha},n){sup 16}O reaction were analyzed with a resonance formula in the incident {alpha}-particle energy range of 1.0 to 16.0 MeV. With the obtained resonance parameters, branching ratios of the emitted neutrons to the several levels of the residual nucleus and their angular distributions were calculated to obtain the energy spectrum of emitted neutrons. Thick target neutron yield of carbon were also calculated and compared with the experimental data. (author)

Topological edge properties of C60+12n fullerenes

Directory of Open Access Journals (Sweden)

A. Mottaghi

2013-06-01

Full Text Available A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene molecules containing 60 + 12n carbon atoms.

High-resolution measurements of the exited states (n,pn), (n,dn) C-12 cross sections

Science.gov (United States)

Pillon, M.; Angelone, M.; Belloni, F.; Geerts, W.; Loreti, S.; Milocco, A.; Plompen, A. J. M.

2017-09-01

Measurements of C12 cross sections for the excited states (n,p0) up to (n,p4) and (n,d0), (n,d1) have been carried out. The Van de Graaff neutron generator of the EC-JRC-IRMM laboratory has been used for these measurements. A very thin tritiated target (263 μg/cm2) was employed with deuteron beams energies impinging on the target in the range 2.5-4.0 MeV. Neutrons in the range 18.9-20.7 MeV were produced with an intrinsic energy spread of 0.2-0.25% FWHM. With such narrow neutron energy spread, using a high energy resolution device such as a single crystal diamond detector, several peaks from the outgoing charged particles produced by the (n,pn), (n,dn) and also (n,α0) reactions appear in the pulse height spectrum. The peaks can be identified using the reaction Q-values. The diamond detector used for these measurements has shown an intrinsic energy resolution lower than 0.9% FWHM. The analysis of the peaks has permitted to derive the partial carbon reaction cross sections for several excited states. The results are presented in this paper with the associated uncertainties and they are compared with different versions of TENDL compilation when these data are available (e.g. versions 2009, 2010, 2011 and 2015) and also with experimental results available in the EXFOR database.

High-resolution measurements of the exited states (n,pn, (n,dn C-12 cross sections

Directory of Open Access Journals (Sweden)

Pillon M.

2017-01-01

Full Text Available Measurements of C12 cross sections for the excited states (n,p0 up to (n,p4 and (n,d0, (n,d1 have been carried out. The Van de Graaff neutron generator of the EC-JRC-IRMM laboratory has been used for these measurements. A very thin tritiated target (263 μg/cm2 was employed with deuteron beams energies impinging on the target in the range 2.5–4.0 MeV. Neutrons in the range 18.9–20.7 MeV were produced with an intrinsic energy spread of 0.2–0.25% FWHM. With such narrow neutron energy spread, using a high energy resolution device such as a single crystal diamond detector, several peaks from the outgoing charged particles produced by the (n,pn, (n,dn and also (n,α0 reactions appear in the pulse height spectrum. The peaks can be identified using the reaction Q-values. The diamond detector used for these measurements has shown an intrinsic energy resolution lower than 0.9% FWHM. The analysis of the peaks has permitted to derive the partial carbon reaction cross sections for several excited states. The results are presented in this paper with the associated uncertainties and they are compared with different versions of TENDL compilation when these data are available (e.g. versions 2009, 2010, 2011 and 2015 and also with experimental results available in the EXFOR database.

Coherent pion production in 12C(p,nπ) at 800MeV

International Nuclear Information System (INIS)

Gilman, R.; Brash, E.; Edwards, G.; Glashausser, C.; Jones, M.K.; Baker, F.T.; Bastea, S.; Beatty, D.P.; Bimbot, L.; Brusoe, J.; Chiba, J.; Cooper, D.; Kumbartzki, G.; Mauger, C.; Nagae, T.; Park, B.; Prout, D.; Ransome, R.D.; Rawool-Sullivan, M.; Rutt, P.; Storm, B.; Sugarbaker, E.; Taddeucci, T.; Zumbro, J.

1994-01-01

Studies of the production of the Δ resonance in hadronic charge exchange reactions show a shift in the Δ peak position. Measurements looking also at the Δ decay products give some evidence for coherent pion production. We have recently completed a new measurement of the 12 C(p,n) reaction leading to the Δ resonance, including a higher resolution coincidence measurement of decay π's in the forward direction. We describe the experiment and some aspects of the preliminary analysis. ((orig.))

Detection of interstellar (C-13)N toward Zeta Ophiuchi

International Nuclear Information System (INIS)

Crane, P.; Hegyi, D.J.

1988-01-01

Observations of a diffuse interstellar cloud toward Zeta Oph, obtained with resolution 100,000-150,000 near the 3874.608-A R(0) line of (C-12)N using a coude echelle spectrograph on the 1.4-m telescope at ESO during 1984 and 1985, are reported. Data from 54 20-min runs were fitted to Gaussian line shapes using the line center, depth, and width of the R(0) and R(1) lines of (C-12)N and the line center and depth of the R(0) line of (C-13)N as fitting parameters. The (C-13)N R(0) line, with equivalent width 0.190 + or - 0.020 mA, was detected 173.7 + or - 0.8 mA to the red of (C-12)N R(0); the corresponding isotope abundance ratio, (C-12)N/(C-13)N = 47.3 + 5.5 or -4.4, is shown to be in good agreement with previous measurements for CH(+) (Hawkins et al., 1985). 13 references

Iodide, azide, and cyanide complexes of (N,C), (N,N), and (N,O) metallacycles of tetra- and pentavalent uranium

International Nuclear Information System (INIS)

Benaud, Olivier; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel

2011-01-01

In contrast to the neutral macrocycle [UN* 2 (N,C)] (1) [N* = N(SiMe 3 ) 3 ; N,C = CH 2 SiMe 2 N-(SiMe 3 )] which was quite inert toward I 2 , the anionic bismetallacycle [NaUN*(N,C) 2 ] (2) was readily transformed into the enlarged monometallacycle [UN*(N,N)I] (4) [N,N = (Me 3 Si)NSiMe 2 CH 2 CH 2 SiMe 2 N(SiMe 3 )] resulting from C-C coupling of the two CH 2 groups, and [NaUN*(N,O) 2 ] (3) [N,O = OC(=CH 2 )SiMe 2 N(SiMe 3 )], which is devoid of any U-C bond, was oxidized into the UV bismetallacycle [Na{UN*(N,O) 2 }2(μ-I)] (5). Sodium amalgam reduction of 4 gave the U(III) compound [UN*(N,N)] (6). Addition of MN 3 or MCN to the (N,C), (N,N), and (N,O) metallacycles 1, 4, and 5 led to the formation of the anionic azide or cyanide derivatives M[UN* 2 (N,C)(N 3 )] [M = Na, 7a or Na(15-crown-5), 7b], M[UN* 2 (N,C)(CN)] [M = NEt 4 , 8a or Na(15-crown-5), 8b or K(18-crown-6), 8c], M[UN*(N,N)(N 3 ) 2 ] [M = Na, 9a or Na(THF)4, 9b], [NEt 4 ][UN*(N,N)(CN) 2 ] (10), M[UN*(N,O) 2 (N 3 )] [M = Na, 11a or Na(15-crown-5), 11b], M[UN*(N,O) 2 (CN)] [M = NEt 4 , 12a or Na(15-crown-5), 12b]. In the presence of excess iodine in THF, the cyanide 12a was converted back into the iodide 5, while the azide 11a was transformed into the neutral UV complex [U(N{SiMe 3 }-SiMe 2 C{CHI}O) 2 I(THF)] (13). The X-ray crystal structures of 4, 7b, 8a-c, 9b, 10, 12b, and 13 were determined. (authors)

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

Science.gov (United States)

Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

2009-12-01

In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

Studies on low-carrier radiofluorination of non-active aromatics with no-carrier-added [{sup 18}F]fluoride; Untersuchungen zur traegerarmen Radiofluorierung nicht-aktiver Aromaten mit n.c.a. [{sup 18}F]Fluorid

Energy Technology Data Exchange (ETDEWEB)

Cardinale, Jens

2013-01-15

In vivo imaging with positron emission tomography generally demands radiotracers with a high specific activity. In case of fluorine-18 the required no-carrier-added (n.c.a.) starting material is only available in form of fluoride. This and the short half-life of 109.7 minutes of the radionuclide lead to the demand of special methods for radiosyntheses. The only practical procedure for manufacturing n.c.a. [{sup 18}F]fluoro-compounds is therefore nucleophilic substitution. There is, however, still a lack of effective procedures for the labelling of electron rich aromatic molecules starting from n.c.a. [{sup 18}F]fluoride. A process for n.c.a. radiofluorination of these compounds is offered by the reaction of iodonium compounds as starting materials. In this study modern procedures for the synthesis of iodoniumsalts and -ylides were investigated. Several precursor molecules for the versatile synthetic building block 4-[{sup 18}F]fluoroiodobenzene were synthesised. In this course, a new one-pot procedure for the synthesis of iodoniumylides was developed. Further on, the syntheses of suitable iodonium precursors for two fluorophenoxy-derivatives, which are possible antidepressants, were investigated. Due to their binding profile these compounds can be considered as ligands for the serotonin reuptake transporter (SERT) and the norepinephrin reuptake transporter (NET), respectively. The preparation of appropriate iodonium salts proved to be too problematic, while the synthesis of suitable iodoniumylides could be accomplished with satisfactory yields of about 30% and 40 %, respectively. Both compounds were labelled with n.c.a. [{sup 18}F]fluoride and deprotected to the desired target compounds 4-((3-[{sup 18}F]fluorophenoxy)(phenyl)methyl)piperidine and 4-((4-[{sup 18}F]fluorophenoxy)(phenyl)methyl)piperidine in radiochemical yields of about 40 % and 25 %, respectively. Those are now available for preclinical evaluation studies. Furthermore, a process for the palladium

Forward $\\pi^{+-}$ production in p-$O_2$ and p-$N_2$ interactions at 12 GeV/c

CERN Document Server

Catanesi, M.G.; Edgecock, R.; Ellis, M.; Gossling, C.; Bunyatov, S.; Krasnoperov, A.; Popov, B.; Tereschenko, V.; Di Capua, E.; Vidal-Sitjes, G.; Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Ivanchenko, A.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Tcherniaev, E.; Tsukerman, I.; Wiebusch, C.; Zucchelli, P.; Blondel, A.; Borghi, S.; Morone, M.C.; Prior, G.; Schroeter, R.; Meurer, C.; Gastaldi, U.; Mills, G.B.; Graulich, J.S.; Gregoire, G.; Bonesini, M.; Ferri, F.; Kirsanov, M.; Bagulya, A.; Grichine, V.; Polukhina, N.; Palladino, V.; Coney, L.; Schmitz, D.; Barr, G.; Bobisut, F.; Gibin, D.; Guglielmi, A.; Mezzetto, M.; Dumarchez, J.; Dore, U.; Orestano, D.; Pastore, F.; Tonazzo, A.; Tortora, L.; Booth, C.; Howlett, L.; Bogomilov, M.; Kolev, D.; Tsenov, R.; Piperov, Stefan; Temnikov, P.; Apollonio, M.; Chimenti, P.; Giannini, G.; Burguet-Castell, J.; Cervera-Villanueva, A.; Gomez-Cadenas, J.J.; Martin-Albo, J.; Sorel, M.

2008-01-01

Measurements of double-differential charged pion production cross-sections in interactions of 12 GeV/c protons on O_2 and N_2 thin targets are presented in the kinematic range 0.5 GeV/c < p_{\\pi} < 8 GeV/c and 50 mrad < \\theta_{\\pi} < 250 mrad (in the laboratory frame) and are compared with p--C results. For p--N_2 (p--O_2) interactions the analysis is performed using 38576 (7522) reconstructed secondary pions. The analysis uses the beam instrumentation and the forward spectrometer of the HARP experiment at CERN PS. The measured cross-sections have a direct impact on the precise calculation of atmospheric neutrino fluxes and on the improved reliability of extensive air shower simulations by reducing the uncertainties of hadronic interaction models in the low energy range. In particular, the present results allow the common hypothesis that p--C data can be used to predict the p--N_2 and p--O_2 pion production cross-sections to be tested.

Parsing of the free energy of aromatic-aromatic stacking interactions in solution

Energy Technology Data Exchange (ETDEWEB)

Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

2011-10-15

Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

Parsing of the free energy of aromatic-aromatic stacking interactions in solution

International Nuclear Information System (INIS)

Kostjukov, Viktor V.; Khomytova, Nina M.; Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas; Evstigneev, Maxim P.

2011-01-01

Graphical abstract: Highlights: → A protocol for decomposition of the free energy of aromatic stacking is developed. → The factors stabilizing/destabilizing stacking of aromatic molecules are defined. → Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

Comparison of plants with C3 and C4 carbon fixation pathways for remediation of polycyclic aromatic hydrocarbon contaminated soils

OpenAIRE

Sivaram, Anithadevi Kenday; Logeshwaran, Panneerselvan; Subashchandrabose, Suresh R.; Lockington, Robin; Naidu, Ravi; Megharaj, Mallavarapu

2018-01-01

The phytoremediation technique has been demonstrated to be a viable option for the remediation of polycyclic aromatic hydrocarbons (PAHs) contaminated sites. This study evaluated the potential applicability of plants with C3 and C4 carbon fixation pathways for the phytoremediation of recalcitrant high molecular weight (HMW) PAHs contaminated soil. A 60 and 120-day greenhouse study was conducted which showed higher degradation of HMW PAHs in soil grown with C4 plants when compared to C3 plants...

Search for 12 C+ 12 C clustering in 24 Mg ground state

Indian Academy of Sciences (India)

In the backdrop of many models, the heavy cluster structure of the ground state of 24 Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24 Mg( 12 C, 212 C) 12 C in thequasifree scattering kinematic domain. In the ( 12 C, 212 C) reaction, the direct 12 C-knockout cross-section was ...

48 CFR 12.208 - Contract quality assurance.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Contract quality assurance... Items 12.208 Contract quality assurance. Contracts for commercial items shall rely on contractors' existing quality assurance systems as a substitute for Government inspection and testing before tender for...

48 CFR 12.213 - Other commercial practices.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Other commercial practices... ACQUISITION PLANNING ACQUISITION OF COMMERCIAL ITEMS Special Requirements for the Acquisition of Commercial Items 12.213 Other commercial practices. It is a common practice in the commercial marketplace for both...

Metagenomic screening for aromatic compound-responsive transcriptional regulators.

Directory of Open Access Journals (Sweden)

Taku Uchiyama

Full Text Available We applied a metagenomics approach to screen for transcriptional regulators that sense aromatic compounds. The library was constructed by cloning environmental DNA fragments into a promoter-less vector containing green fluorescence protein. Fluorescence-based screening was then performed in the presence of various aromatic compounds. A total of 12 clones were isolated that fluoresced in response to salicylate, 3-methyl catechol, 4-chlorocatechol and chlorohydroquinone. Sequence analysis revealed at least 1 putative transcriptional regulator, excluding 1 clone (CHLO8F. Deletion analysis identified compound-specific transcriptional regulators; namely, 8 LysR-types, 2 two-component-types and 1 AraC-type. Of these, 9 representative clones were selected and their reaction specificities to 18 aromatic compounds were investigated. Overall, our transcriptional regulators were functionally diverse in terms of both specificity and induction rates. LysR- and AraC- type regulators had relatively narrow specificities with high induction rates (5-50 fold, whereas two-component-types had wide specificities with low induction rates (3 fold. Numerous transcriptional regulators have been deposited in sequence databases, but their functions remain largely unknown. Thus, our results add valuable information regarding the sequence-function relationship of transcriptional regulators.

A Novel Approach in Cinnamic Acid Synthesis: Direct Synthesis of Cinnamic Acids from Aromatic Aldehydes and Aliphatic Carboxylic Acids in the Presence of Boron Tribromide

Directory of Open Access Journals (Sweden)

M. Onciu

2005-02-01

Full Text Available Cinnamic acids have been prepared in moderate to high yields by a new direct synthesis using aromatic aldehydes and aliphatic carboxylic acids, in the presence of boron tribromide as reagent, 4-dimethylaminopyridine (4-DMAP and pyridine (Py as bases and N-methyl-2-pyrolidinone (NMP as solvent, at reflux (180-190°C for 8-12 hours.

On the oxidation of the three-dimensional aromatics [B(12)X(12)](2-) (X=F, Cl, Br, I).

Science.gov (United States)

Boeré, René T; Derendorf, Janis; Jenne, Carsten; Kacprzak, Sylwia; Kessler, Mathias; Riebau, Rainer; Riedel, Sebastian; Roemmele, Tracey L; Rühle, Monika; Scherer, Harald; Vent-Schmidt, Thomas; Warneke, Jonas; Weber, Stefan

2014-04-07

The perhalogenated closo-dodecaborate dianions [B12 X12 ](2-) (X=H, F, Cl, Br, I) are three-dimensional counterparts to the two-dimensional aromatics C6 X6 (X=H, F, Cl, Br, I). Whereas oxidation of the parent compounds [B12 H12 ](2-) and benzene does not lead to isolable radicals, the perhalogenated analogues can be oxidized by chemical or electrochemical methods to give stable radicals. The chemical oxidation of the closo-dodecaborate dianions [B12 X12 ](2-) with the strong oxidizer AsF5 in liquid sulfur dioxide (lSO2 ) yielded the corresponding radical anions [B12 X12 ](⋅-) (X=F, Cl, Br). The presence of radical ions was proven by EPR and UV/Vis spectroscopy and supported by quantum chemical calculations. Use of an excess amount of the oxidizing agent allowed the synthesis of the neutral perhalogenated hypercloso-boranes B12 X12 (X=Cl, Br). These compounds were characterized by single-crystal X-ray diffraction of dark blue B12 Cl12 and [Na(SO2 )6 ][B12 Br12 ]⋅B12 Br12 . Sublimation of the crude reaction products that contained B12 X12 (X=Cl, Br) resulted in pure dark blue B12 Cl12 or decomposition to red B9 Br9 , respectively. The energetics of the oxidation processes in the gas phase were calculated by DFT methods at the PBE0/def2-TZVPP level of theory. They revealed the trend of increasing ionization potentials of the [B12 X12 ](2-) dianions by going from fluorine to bromine as halogen substituent. The oxidation of all [B12 X12 ](2-) dianions was also studied in the gas phase by mass spectrometry in an ion trap. The electrochemical oxidation of the closo-dodecaborate dianions [B12 X12 ](2-) (X=F, Cl, Br, I) by cyclic and Osteryoung square-wave voltammetry in liquid sulfur dioxide or acetonitrile showed very good agreement with quantum chemical calculations in the gas phase. For [B12 X12 ](2-) (X=F, Cl, Br) the first and second oxidation processes are detected. Whereas the first process is quasi-reversible (with oxidation potentials in the range between +1

Functional aspects of dexamethasone upregulated nicotinic acetylcholine receptors in C2C12 myotubes

NARCIS (Netherlands)

Maestrone, E; Lagostena, L; Henning, RH; DenHertog, A; Nobile, M

Three days of treatment with the glucocorticoid dexamethasone (1 nM-mu M) induced a concentration-dependent up-regulation of muscle nicotinic acetylcholine receptor (nAChR) in C2C12 mouse myotubes (EC(50)=10+/-7.3 nM), as assessed by [H-3]alpha-BuTx binding. The maximum increase in binding amounted

Genetical and functional investigation of fliC genes encoding flagellar serotype H4 in wildtype strains of Escherichia coli and in a laboratory E. coli K-12 strain expressing flagellar antigen type H48

Directory of Open Access Journals (Sweden)

Schaudinn Christoph

2005-01-01

Full Text Available Abstract Background Serotyping of O-(lipopolysaccharide and H-(flagellar antigens is a wideley used method for identification of pathogenic strains and clones of Escherichia coli. At present, 176 O- and 53 H-antigens are described for E. coli which occur in different combinations in the strains. The flagellar antigen H4 is widely present in E. coli strains of different O-serotypes and pathotypes and we have investigated the genetic relationship between H4 encoding fliC genes by PCR, nucleotide sequencing and expression studies. Results The complete nucleotide sequence of fliC genes present in E. coli reference strains U9-41 (O2:K1:H4 and P12b (O15:H17 was determined and both were found 99.3% (1043 of 1050 nucleotides identical in their coding sequence. A PCR/RFLP protocol was developed for typing of fliC-H4 strains and 88 E. coli strains reacting with H4 antiserum were investigated. Nucleotide sequencing of complete fliC genes of six E. coli strains which were selected based on serum agglutination titers, fliC-PCR genotyping and reference data revealed 96.6 to 100% identity on the amino acid level. The functional expression of flagellin encoded by fliC-H4 from strain U9-41 and from our strain P12b which is an H4 expressing variant type was investigated in the E. coli K-12 strain JM109 which encodes flagellar type H48. The fliC recombinant plasmid carrying JM109 strains reacted with both H4 and H48 specific antisera whereas JM109 reacted only with the H48 antiserum. By immunoelectron microscopy, we could show that the flagella made by the fliC-H4 recombinant plasmid carrying strain are constituted of H48 and H4 flagellins which are co-assembled into functional flagella. Conclusion The flagellar serotype H4 is encoded by closely related fliC genes present in serologically different types of E. coli strainswhich were isolated at different time periods and geographical locations. Our expression studies show for the first time, that flagellins of

First-principles study on Ca8Cn (n≤12) and CamC12 (m≤8) metal carbides

International Nuclear Information System (INIS)

Chen Gang; Peng Qi; Kawazoe, Yoshiyuki

2011-01-01

We performed an extensive structure optimization for small Ca 8 C n (n≤12) and Ca m C 12 (m≤8) clusters by using density functional theory. The structure would gain CaC 2 bulk characters for Ca 8 C n with n≥7 and Ca m C 12 with m≥6, respectively. Two cage-like structures were found and their structural stability was evaluated by molecular dynamics simulations. The Ca 4s valence electrons are donated to the π orbitals of dicarbon and part of the donated electrons is back donated to the Ca 3d split orbitals. Both Ca and C atoms contribute to the magnetic properties. The net charge on Ca analyzed with Bader technique is about +1.4e.

Spin alignment and density matrix measurement in 28Si + 12C orbiting reaction

International Nuclear Information System (INIS)

Ray, A.; Shapira, D.; Halbert, M.L.; Gomez del Campo, J.; Kim, H.J.; Sullivan, J.P.; Shivakumar, B.; Mitchell, J.

1990-01-01

Gamma-ray angular correlations have been measured for the strongly damped reactions 12 C( 28 Si, 12 C) 28 Si between θ cm = (120 degree - 160 degree) for E cm = 43.5 and 48 MeV. We find that the density matrices for the 12 C(2 1 + ) and 28 Si states are almost diagonal with respect to the direction of motion of the outgoing particle. The measured density matrices and spin alignments are consistent with the picture of formation of a long-lived dinuclear complex undergoing orbiting, bending and wriggling motions, but not with those obtained from statistical compound nucleus or sticking model calculations. 17 refs., 2 figs., 1 tab

Formation of Polycyclic Aromatic Hydrocarbons and Nitrogen Containing Polycyclic Aromatic Compounds in Titan's Atmosphere, the Interstellar Medium and Combustion

Science.gov (United States)

Landera, Alexander

2013-12-01

Several different mechanisms leading to the formation of (substituted) naphthalene and azanaphthalenes were examined using theoretical quantum chemical calculations. As a result, a series of novel synthetic routes to Polycyclic Aromatic Hydrocarbons (PAHs) and Nitrogen Containing Polycyclic Aromatic Compounds (N-PACs) have been proposed. On Earth, these aromatic compounds originate from incomplete combustion and are released into our environment, where they are known to be major pollutants, often with carcinogenic properties. In the atmosphere of a Saturn's moon Titan, these PAH and N-PACs are believed to play a critical role in organic haze formation, as well as acting as chemical precursors to biologically relevant molecules. The theoretical calculations were performed by employing the ab initio G3(MP2,CC)/B3LYP/6-311G** method to effectively probe the Potential Energy Surfaces (PES) relevant to the PAH and N-PAC formation. Following the construction of the PES, Rice-Ramsperger-Kassel-Markus (RRKM) theory was used to evaluate all unimolecular rate constants as a function of collision energy under single-collision conditions. Branching ratios were then evaluated by solving phenomenological rate expressions for the various product concentrations. The most viable pathways to PAH and N-PAC formation were found to be those where the initial attack by the ethynyl (C2H) or cyano (CN) radical toward a unsaturated hydrocarbon molecule led to the formation of an intermediate which could not effectively lose a hydrogen atom. It is not until ring cyclization has occurred, that hydrogen elimination leads to a closed shell product. By quenching the possibility of the initial hydrogen atom elimination, one of the most competitive processes preventing the PAH or N-PAC formation was avoided, and the PAH or N-PAC formation was allowed to proceed. It is concluded that these considerations should be taken into account when attempting to explore any other potential routes towards

Structure of ¹²C and the triple-α process

DEFF Research Database (Denmark)

Fynbo, H.O.U.; Diget, C.Aa.

2014-01-01

We review experiments at IGISOL and associated work at ISOLDE and KVI on the use of the β-decays of 12N and 12B for the study of the structure of 12C and the consequences for the rate of the triple-α reaction in stars.......We review experiments at IGISOL and associated work at ISOLDE and KVI on the use of the β-decays of 12N and 12B for the study of the structure of 12C and the consequences for the rate of the triple-α reaction in stars....

Deuteration of benzen derivatives and condensed aromatics

International Nuclear Information System (INIS)

Ichikawa, Masaru.

1970-01-01

A process for the deuteration of aromatic compounds (benzene derivatives having one or more cyano, halogeno, nitro or other electron attractive groups, and condensed ring aromatics) is provided. The process comprises reducing said aromatic compound with an alkali metal (preferably K, Rb or Cs) in a solvent (dimethoxyethane, tetrahydrofuran, etc.) to provide an electron-acceptor-donor complex, which is followed by introducing gaseous deuterium into the solution. The deuteration takes place selectively at the position of highest electron density in accordance with nature of the substituent, regardless of steric hindrance. The process is applicable to a wide variety of aromatics to give deuterated compounds in high yields. In one example, 5x10 -3 mole of anthracene (An) was reacted with 2g of metallic potassium in 80cc of dimethoxyethane in a N 2 atmosphere. Into the resulting solution of An=2K + was introduced D 2 gas (30 cmHg) at 25 0 C. After decomposition with air and washing with alcohol, the precipitate was recrystallized from benzene. Yield of recovered AN: more than 90%. Yield of deuteration: 100%. Position of deuteration: 9 and 10 (revealed by NMR and mass spectroscopy). (Kaichi, S.)

Rational synthesis of AB-type N-substituted core-functionalized naphthalene diimides (cNDIs).

Science.gov (United States)

Berezin, Andrey A; Sciutto, Andrea; Demitri, Nicola; Bonifazi, Davide

2015-04-17

Acid-mediated transformation of tetraethyl 2,6-diethoxynaphthalene-1,4,5,8-tetracarboxylate selectively affords the core-substituted naphthalene-anhydride-ester (cNAE) in quantitative yield. This anhydride can be selectively converted into hetero-N-substituted core-functionalized naphthalene diimides (cNDIs) through sequential condensation reactions in the presence of the precursor amine with very high isolated yields over four steps. The approach can be applied to prepare a large variety of heterocyclic, aromatic, and aliphatic heterodiimides.

GC×GC measurements of C7-C11 aromatic and n-alkane hydrocarbons on Crete, in air from Eastern Europe during the MINOS campaign

Science.gov (United States)

Xu, X.; Williams, C.; Plass-Dülmer, H.; Berresheim, H.; Salisbury, G.; Lange, L.; Lelieveld, J.

2003-09-01

During the Mediterranean Intensive Oxidant Study (MINOS) campaign in August 2001 gas-phase organic compounds were measured using comprehensive two-dimensional gas chromatography (GCxGC) at the Finokalia ground station, Crete. In this paper, C7-C11 aromatic and n-alkane measurements are presented and interpreted. The mean mixing ratios of the hydrocarbons varied from 1±1 pptv (i-propylbenzene) to 43±36 pptv (toluene). The observed mixing ratios showed strong day-to-day variations and generally higher levels during the first half of the campaign. Mean diel profiles showed maxima at local midnight and late morning, and minima in the early morning and evening. Results from analysis using a simplified box model suggest that both the chemical sink (i.e. reaction with OH) and the variability of source strengths were the causes of the observed variations in hydrocarbon mixing ratios. The logarithms of hydrocarbon concentrations were negatively correlated with the OH concentrations integral over a day prior to the hydrocarbon measurements. Slopes of the regression lines derived from these correlations for different compounds are compared with literature rate constants for their reactions with OH. The slopes for most compounds agree reasonably well with the literature rate constants. A sequential reaction model has been applied to the interpretation of the relationship between ethylbenzene and two of its potential products, i.e. acetophenone and benzeneacetaldehyde. The model can explain the good correlation observed between [acetophenone]/[ethylbenzene] and [benzeneacetaldehyde]/[ethylbenzene]. The model results and field measurements suggest that the reactivity of benzeneacetaldehyde may lie between those of acetophenone and ethylbenzene and that the ratio between yields of acetophenone and benzeneacetaldehyde may be up to 28:1. Photochemical ages of trace gases sampled at Finokalia during the campaign are estimated using the sequential reaction model and related data

Isospin excitation of nucleus in 42,44,48Ca (p,n)42,44,48Sc

International Nuclear Information System (INIS)

Suzuki, Keiji

2002-01-01

To obtain information of (p,n) reaction of heavy nucleus in 100 MeV or less, 42,44,48 Ca(p,n) 42,44,48 Sc was observed on the Cyclotron Radio Isotope Center in Tohoku University. The experimental results showed that 7, 8 and 10 spin parities were determined for 42 Sc, 44 Sc and 48 SC, respectively. It was the first determination of one and two negative parity transition of 42 Sc and 48 Sc,respectively, by (p,n) reaction. The full space wave function made by 0f1p shell effective interaction by Richter,et al is good accuracy and reliability. On the (p,n) reaction at E p =35 MeV, the transition matrix elements of 42 Ca, 44 Ca and 48 Ca were derived. On the experiment of 42 Ca(p,n) 42 Sc at E p 2 on energy was agreed with the calculation results by Franey and Love. The nuclear structure of 42 Ca was thought to show more stronger U(4) symmetry, because strong GT transition at T=1 was not observed, which was expected by j-j bonding shell model calculation. (S.Y.)

N-(4-Methoxyphenyl-tert-butanesulfinamide

Directory of Open Access Journals (Sweden)

Mrityunjoy Datta

2009-11-01

Full Text Available In the title compound, C11H17NO2S, the molecules interact head-to-tail through N—H...OS hydrogen bonds, giving discrete centrosymmetric cyclic dimers. The N—Caryl bond length [1.4225 (14 Å] is intermediate between that in N-phenyl-tert-butanesulfinamide [1.4083 (12 Å] and the N—Calkyl bond lengths in N-alkylalkanesulfinamides (1.470–1.530 Å, suggesting weaker delocalization of electrons over the N atom and the aromatic ring due to the presence of the 4-methoxy group.

The effect of aromatization on the isotopic compositions of hydrocarbons during early diagenesis

Science.gov (United States)

Freeman, K. H.; Boreham, C. J.; Summons, R. E.; Hayes, J. M.

1994-01-01

Polycyclic aromatic hydrocarbons with varying degrees of aromatization were isolated from the Eocene Messel Shale (Rheingraben, Germany). The high abundances of these compounds and their structural resemblances to cyclic triterpenoid lipids are consistent with derivation from microbial rather than thermal processes. Compounds structurally related to oleanane contain from five to nine double bonds; those within a series of aromatized hopanoids contain from three to nine. All are products of diagenetic reactions that remove hydrogen or methyl groups, and, in several cases, break carbon-carbon bonds to open rings. Aromatized products are on average depleted in 13C relative to possible precursors by l.2% (range: l.5% enrichment to 4% depletion, n = 9). The dependence of 13C content on the number of double bonds is not, however, statistically significant and it must be concluded that there is no strong evidence for isotopic fractionation accompanying diagenetic aromatization. Isotopic differences between series (structures related to ursane, des-A-ursane, des-A-lupane, des-A-arborane, and possibly, des-A-gammacerane are present) are much greater, indicating that 13C contents are controlled primarily by source effects. Fractionations due to chromatographic isotope effects during HPLC ranged from 0.1 to 2.8%.

Laboratory Infrared Spectra of Polycyclic Aromatic Nitrogen Heterocycles: Quinoline, and Phenanthridine in Solid Argon and H2O

Science.gov (United States)

Bernstein, M. P.; Mattioda, A. L.; Sandford, S. A.; Hudgins, D. M.

2004-01-01

Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe. Their detection and identification are based on telescopic infrared (IR) spectra compared with laboratory data. Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics i.e., PAHs with carbon atoms replaced by a nitrogen atom. These molecules should be present in the interstellar medium, but have received relatively little attention. We present mid-IR spectra of two PANHs, quinoline (C9H7N), and phenanthridine (C13H9N) isolated in solid argon and frozen in solid H2O at 12 K, conditions yielding data directly comparable to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H2O. Whereas the IR spectrum of phenanthridine in H2O is similar to that of the same compound isolated in an argon matrix, quinoline absorptions shift up to 16 cm(sup -1) (0.072 mm) between argon and H2O. Thus, astronomers will not always be able to rely on IR band positions of matrix isolated PANHs to correctly interpret the absorptions of PANHs frozen in H2O ice grains. Furthermore, our data suggest that relative band areas also vary, so determining column densities to better than a factor of 3 will require knowledge of the matrix in which the PANH is embedded and laboratory studies of relevant samples.

Cystatin C, N-terminal probrain natriuretic peptides and outcomes in acute heart failure with acute kidney injury in a 12-month follow-up: Insights into the cardiorenal syndrome

Directory of Open Access Journals (Sweden)

Zhong-bao Ruan

2014-01-01

Full Text Available Background: Cystatin C (Cys C has been implicated as a prognostic marker in cardiovascular disease. The aim of this study was to evaluate the value of Cys C as a marker of acute kidney injury (AKI in acute heart failure (AHF, the impact of Cys C and N-terminal probrain natriuretic peptides (NT-proBNP on in-hospital and 12 months mortality were also investigated. Materials and Methods: A total of 162 patients with AHF were enrolled. NT-proBNP, Cys C, serum creatinine (Scr, blood urea nitrogen (BUN and parameters of echocardiography were measured for analyze. The in-hospital and 12 months mortality was analyzed. Results: There was 28 (17% of all AHF patients with AKI. Compared with no-AKI patients, the levels of Cys C (1.51 ± 0.34 vs. 1.32 ± 0.29, P = 0.003 and NT-proBNP (8163.87 ± 898.06 vs. 5922.45 ± 576.73, P = 0.001 were higher in AKI patients. Higher levels of NT-proBNP (odds ratio (OR = 1.92, 95% confidence interval (CI: 2.19-10.98, P = 0.018, OR = 4.31, 95% CI: 2.35-9.82, P = 0.002, respectively and Cys C (OR = 1.48, 95% CI: 1.75-4.16, P = 0.027, OR = 2.72, 95% CI: 1.92-4.28, P = 0.017, respectively were independent association with the in-hospital and 12 months mortality. Cys C was positively correlated with NT-proBNP (r = 0.87, P < 0.001. Combining tertiles of Cys C and NT-proBNP improved risk stratification further. Compared with patients without AKI cysC , patients with AKI cysC was associated with higher in-hospital (7/28 vs. 10/134, P = 0.002 and 12-month mortality (13/28 vs. 32/134, P = 0.001. Conclusion: Cys C was not only a promising risk marker in patients hospitalized for AHF, but also an independent predictor of 12-month mortality. Combining tertiles of Cys C and NT-proBNP could be used to distinguish the mortality risk identification of patients with AHF. AKI was an independent predictor of in-hospital and 12-month mortality.

CO2 as a C1-organic building block: Enantioselective electrocarboxylation of aromatic ketones with CO2catalyzed by cinchona alkaloids under mild conditions

International Nuclear Information System (INIS)

Chen, Bao-Li; Tu, Zhuo-Ying; Zhu, Hong-Wei; Sun, Wen-Wen; Wang, Huan; Lu, Jia-Xing

2014-01-01

Highlights: •Cinchona alkaloids catalysis achieve enantioselective electrocarboxylation of racemic aromatic ketones. •The applications of CO 2 enantioselective electrochemical fixation into optically active hydroxyl carboxylic acids have been expanded. •The applications of alkaloids have been expanded. •The applications of asymmetric synthesis by electrochemical methodology have been expanded. -- Abstract: The enantioselective electrocarboxylation of pro-chiral aromatic ketones (2-acetonaphthone, 1-(6-methoxy-2-naphthyl)ethanone, 1-(4-methoxy-1-naphthyl)ethanone) with atmospheric pressure of CO 2 catalyzed by cinchona alkaloids in the presence of phenol was investigated in an undivided cell for the first time to give optically active 2-hydroxy-2-arylpropionic acid. For the model compound 2-acetonaphthone, the influence of various reaction conditions, such as cathode material, current density, catalyst type, ratio of proton to catalyst and catalyst quantity, on the enantiomeric excesses (ee) and yield has been investigated. Under the optimized conditions of 2-acetonaphthone, all the aromatic ketones examined are converted into corresponding optically active 2-hydroxy-2-arylpropionic acids in moderate yield (32.2% - 41.3%) and ee (48.1% - 48.6%). In addition, the electrochemical behavior of 2-acetonaphthone has been studied by cyclic voltammetry (CV) in the absence and presence of CO 2 . Moreover, the probable reaction pathway was proposed accordingly

The Fabrication of Ga2O3/ZSM-5 Hollow Fibers for Efficient Catalytic Conversion of n-Butane into Light Olefins and Aromatics

Directory of Open Access Journals (Sweden)

Jing Han

2016-01-01

Full Text Available In this study, the dehydrogenation component of Ga2O3 was introduced into ZSM-5 nanocrystals to prepare Ga2O3/ZSM-5 hollow fiber-based bifunctional catalysts. The physicochemical features of as-prepared catalysts were characterized by means of XRD, BET, SEM, STEM, NH3-TPD, etc., and their performances for the catalytic conversion of n-butane to produce light olefins and aromatics were investigated. The results indicated that a very small amount of gallium can cause a marked enhancement in the catalytic activity of ZSM-5 because of the synergistic effect of the dehydrogenation and aromatization properties of Ga2O3 and the cracking function of ZSM-5. Compared with Ga2O3/ZSM-5 nanoparticles, the unique hierarchical macro-meso-microporosity of the as-prepared hollow fibers can effectively enlarge the bifunctionality by enhancing the accessibility of active sites and the diffusion. Consequently, Ga2O3/ZSM-5 hollow fibers show excellent catalytic conversion of n-butane, with the highest yield of light olefins plus aromatics at 600 °C by 87.6%, which is 56.3%, 24.6%, and 13.3% higher than that of ZSM-5, ZSM-5 zeolite fibers, and Ga2O3/ZSM-5, respectively.

Dicty_cDB: VHB884 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available *nlygsnql yss*np*ktsfnsktrwnk**c*snin*yfnyyf*wyfcwyekywlnynykiliin*lii ikiiiikiiiivlhyfkdaxk*in*kf Translated... 2004.12.24 Homology vs DNA Score E Sequences producing significant alignments: (bits) Value N DQ538352 |DQ538352.1 Bienertia si... aralocaspica phosphoenolpyruvate carboxylase mRNA, partial cds. 48 2e-07 2 DQ538354 |DQ538354.1 Suaeda eltoni...lmekk**n** kh*f*lnhqvkelqns*rni*krlai*virkh*myqecyhiy*i*lmlqnniiwldqlen hsstmkmi*si...tfry*nd**thknykcnlginkt*nsstr**npstfcfns*nlygsnql yss*np*ktsfnsktrwnk**c*snin*yfnyyf*wyfcwyekywlnynykiliin*lii ikiiiikiiiivlhyfkda

Neutrino and antineutrino charge-exchange reactions on 12C

International Nuclear Information System (INIS)

Samana, A. R.; Krmpotic, F.; Paar, N.; Bertulani, C. A.

2011-01-01

We extend the formalism of weak interaction processes, obtaining new expressions for the transition rates, which greatly facilitate numerical calculations, for both neutrino-nucleus reactions and muon capture. Explicit violation of the conserved vector current hypothesis by the Coulomb field, as well as development of a sum-rule approach for inclusive cross sections, has been worked out. We have done a thorough study of exclusive (ground-state) properties of 12 B and 12 N within the projected quasiparticle random phase approximation (PQRPA). Good agreement with experimental data achieved in this way put into evidence the limitations of the standard RPA and QRPA models, which come from the inability of the RPA to open the p 3/2 shell and from the nonconservation of the number of particles in the QRPA. The inclusive neutrino/antineutrino (ν/ν-tilde) reactions 12 C(ν,e - ) 12 N and 12 C(ν-tilde,e + ) 12 B are calculated within both the PQRPA and the relativistic QRPA. It is found that (i) the magnitudes of the resulting cross sections are close to the sum-rule limit at low energy, but significantly smaller than this limit at high energies, for both ν and ν-tilde; (ii) they increase steadily when the size of the configuration space is augmented, particularly for ν/ν-tilde energies >200 MeV; and (iii) they converge for sufficiently large configuration space and final-state spin. The quasi-elastic 12 C(ν,μ - ) 12 N cross section recently measured in the MiniBooNE experiment is briefly discussed. We study the decomposition of the inclusive cross section based on the degree of forbiddenness of different multipoles. A few words are dedicated to the ν/ν-tilde- 12 C charge-exchange reactions related to astrophysical applications.

Measurement of activity yields for 12C(#betta#, n)11C, 14N(#betta#, n)13N, and 16O(#betta#, n)15O reactions as a function of electron beam energy and angle from the electron beam using thick target produced bremsstrahlung

International Nuclear Information System (INIS)

Piltingsrud, H.V.

1983-01-01

The calculation of activity yields from practical photonuclear target systems designed to produce short-lived positron emitting radionuclides for nuclear medicine purposes requires certain basic information. These include a knowledge of the photon source (bremsstrahlung energy spectrum and intensity as a function of angle from the electron beam) and the #betta#, n activation cross section of the secondary target element. A lack of adequate information concerning these parameters motivated the present study in which activity yields for the reactions 12 C(#betta#, n) 11 C, 14 N(#betta#, n) 13 N, and 16 O(#betta#, n) 15 O were measured as a function of energy of and angle from the electron beam between 16 and 30 MeV and 0 0 and 30.5 0 , respectively. The data indicate highly complex relationships between the activity yield and the experimental variables. Also indicated are possible applications of the data to indicate the energy of an electron beam producing a given bremsstrahlung field in which activation measurements are made

(Carbonato-κO,O')bis-(1,10-phenan-throline-κN,N')cobalt(III) nitrate monohydrate.

Science.gov (United States)

Andaç, Omer; Yolcu, Zuhal; Büyükgüngör, Orhan

2009-12-12

The crystal structure of the title compound, [Co(CO(3))(C(12)H(8)N(2))(2)]NO(3)·H(2)O, consists of Co(III) complex cations, nitrate anions and uncoordinated water mol-ecules. The Co(III) cation is chelated by a carbonate anion and two phenanthroline ligands in a distorted octa-hedral coordination geometry. A three-dimensional supra-molecular structure is formed by O-H⋯O and C-H⋯O hydrogen bonding, C-H⋯π and aromatic π-π stacking [centroid-centroid distance = 3.995 (1)Å] inter-actions.

48 CFR 31.205-12 - Economic planning costs.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Economic planning costs... GENERAL CONTRACTING REQUIREMENTS CONTRACT COST PRINCIPLES AND PROCEDURES Contracts With Commercial Organizations 31.205-12 Economic planning costs. Economic planning costs are the costs of general long-range...

Nqrs Data for C3H2Cl10N2PSb[C3HCl4N2P·Cl6HSb](Subst. No. 0601)

Science.gov (United States)

Chihara, H.; Nakamura, N.

This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C3H2Cl10N2PSb [C3HCl4N2P·Cl6HSb] (Subst. No. 0601)

Pycnonuclear 12C+12C reaction at zero temperature

International Nuclear Information System (INIS)

Gasques, L R; Beard, M; Chamon, L C; Wiescher, M

2005-01-01

We present pycnonuclear reaction calculations for a one-component ionic crystal at zero temperature considering different theoretical approaches. The rates depend directly on the determination of the astrophysical S-factor at low energies, which has been obtained through the barrier penetration formalism. A totally parameter-free model for the real part of the nuclear interaction has been employed in the calculation of 12 C+ 12 C fusion cross sections

Thimerosal-induced apoptosis in mouse C2C12 myoblast cells occurs through suppression of the PI3K/Akt/survivin pathway.

Directory of Open Access Journals (Sweden)

Wen-Xue Li

Full Text Available BACKGROUND: Thimerosal, a mercury-containing preservative, is one of the most widely used preservatives and found in a variety of biological products. Concerns over its possible toxicity have reemerged recently due to its use in vaccines. Thimerosal has also been reported to be markedly cytotoxic to neural tissue. However, little is known regarding thimerosal-induced toxicity in muscle tissue. Therefore, we investigated the cytotoxic effect of thimerosal and its possible mechanisms on mouse C2C12 myoblast cells. METHODOLOGY/PRINCIPAL FINDINGS: The study showed that C2C12 myoblast cells underwent inhibition of proliferation and apoptosis after exposure to thimerosal (125-500 nM for 24, 48 and 72 h. Thimerosal caused S phase arrest and induced apoptosis as assessed by flow cytometric analysis, Hoechst staining and immunoblotting. The data revealed that thimerosal could trigger the leakage of cytochrome c from mitochondria, followed by cleavage of caspase-9 and caspase-3, and that an inhibitor of caspase could suppress thimerosal-induced apoptosis. Thimerosal inhibited the phosphorylation of Akt(ser473 and survivin expression. Wortmannin, a PI3K inhibitor, inhibited Akt activity and decreased survivin expression, resulting in increased thimerosal-induced apoptosis in C2C12 cells, while the activation of PI3K/Akt pathway by mIGF-I (50 ng/ml increased the expression of survivin and attenuated apoptosis. Furthermore, the inhibition of survivin expression by siRNA enhanced thimerosal-induced cell apoptosis, while overexpression of survivin prevented thimerosal-induced apoptosis. Taken together, the data show that the PI3K/Akt/survivin pathway plays an important role in the thimerosal-induced apoptosis in C2C12 cells. CONCLUSIONS/SIGNIFICANCE: Our results suggest that in C2C12 myoblast cells, thimerosal induces S phase arrest and finally causes apoptosis via inhibition of PI3K/Akt/survivin signaling followed by activation of the mitochondrial apoptotic

Densities and excess volumes of binary mixtures of N,N-dimethylformamide with aromatic hydrocarbon at different temperature

International Nuclear Information System (INIS)

Peng Sanjun; Hou Haiyun; Zhou Congshan; Yang Tao

2007-01-01

Density of three binary mixtures formed by N,N-dimethylformamide (DMF) with aromatic hydrocarbon (one of benzene, toluene, and ethylbenzene) has been determined over the full range of compositions at the temperatures range (293.15 to 353.15)K and atmospheric pressure using a vibrating-tube densimeter. From these experiments, excess molar volumes (V m E ) could be calculated and fitted by the fourth-order Redlich-Kister equation, so the coefficients and the standard error (σ) could be got. Our result shows V m E decreases when temperature increases in the studied systems

Palladium-Catalyzed Tandem Oxidative Arylation/Olefination of Aromatic Tethered Alkenes/Alkynes.

Science.gov (United States)

Gao, Yang; Gao, Yinglan; Wu, Wanqing; Jiang, Huanfeng; Yang, Xiaobo; Liu, Wenbo; Li, Chao-Jun

2017-01-18

We describe herein a palladium-catalyzed tandem oxidative arylation/olefination reaction of aromatic tethered alkenes/alkynes for the synthesis of dihydrobenzofurans and 2 H-chromene derivatives. This reaction features a 1,2-difunctionalization of C-C π-bond with two C-H bonds using O 2 as terminal oxidant at room temperature. The products obtained are valuable synthons and important scaffolds in biological agents and natural products. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlation between the synthetic origin of methamphetamine samples and their {sup 15}N and {sup 13}C stable isotope ratios

Energy Technology Data Exchange (ETDEWEB)

Billault, Isabelle [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France)]. E-mail: Isabelle.Billault@univ-nantes.fr; Courant, Frederique [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Pasquereau, Leo [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Derrien, Solene [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Robins, Richard J. [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France); Naulet, Norbert [Laboratoire d' Analyse Isotopique et Electrochimique de Metabolismes, CNRS UMR6006, University of Nantes, BP 92208, 44322 Nantes (France)

2007-06-12

The active ingredient of ecstasy, N-methyl-3,4-methyldioxyphenylisopropylamine (MDMA) can be manufactured by a number of easy routes from simple precursors. We have synthesised 45 samples of MDMA following the five most common routes using N-precursors from 12 different origins and three different precursors for the aromatic moiety. The {sup 13}C and {sup 15}N contents of both the precursors and the MDMA samples derived therefrom were measured by isotope ratio mass spectrometry coupled to an elemental analyser (EA-IRMS). We show that within-pathway correlation between the {sup 15}N content of the precursor and that of the derived MDMA can be strong but that no general pattern of correlation can be defined. Rather, it is evident that the {delta} {sup 15}N values of MDMA are strongly influenced by a combination of the {delta} {sup 15}N values of the source of nitrogen used, the route by which the MDMA is synthesised, and the experimental conditions employed. Multivariate analysis (PCA) based on the {delta} {sup 15}N values of the synthetic MDMA and of the {delta} {sup 15}N and {delta} {sup 13}C values of the N-precursors leads to good discrimination between the majority of the reaction conditions tested.

Inelastic 12C(12C, 12C)12C scattering via the Glauber optical potential at E/A=30 MeV and 85 MeV

International Nuclear Information System (INIS)

Chauvin, J.; Lebrun, D.; Durand, F.; Buenerd, M.

1984-07-01

It is shown that some approximations implied in the optical limit of the Glauber theory are justified for low energies heavy-ions surface collisions. The Glauber optical potential -with no free parameters- leads to reasonable predictions for both elastic and inelastic scattering in the 12 C + 12 C system

Phase-shift-analysis approach to elastic neutron scattering from 12C between 9 and 12 MeV

International Nuclear Information System (INIS)

Tornow, W.

1985-01-01

The excitation energy, spin and parity of levels in 13 C have been determined for excitation energies between 13 and 16 MeV via a phase-shift analysis of the measured total cross section, elastic differential cross section and analysing power for n + 12 C in the neutron energy range from 8.9 to 12.0 MeV. New analysing power measurements are reported for this energy range. The present and previous experimental data are well described by the phase shifts obtained. The non-elastic cross section for n + 12 C predicted from the phase shifts is in good agreement with the ENDF/B-V evaluation. The need for further experimental data is pointed out. (author)

Inducción de IgA e IgG anti-omp48 en conejos inmunizados intragástricamente con una fracción extracelular de Aeromonas veronii

Directory of Open Access Journals (Sweden)

Eduardo Ruiz-Bustos

2011-01-01

Full Text Available Una proteína de membrana externa de 48 kDa (omp48 de Aeromonas veronii (A. veronii, que tiene afinidad por secreciones de la mucosa (tal como mucina, lactoferrina, inmunoglobulinas o colágeno, induce una respuesta inmune estadísticamente significativa al ser administrada intragástricamente a conejos blancos de Nueva Zelanda. Estudios posteriores mostraron una correlación positiva entre las inmunoglobulinas y la respuesta de células productoras de anticuerpo (CPA. La administración intragástrica del antígeno induce una respuesta vigorosa, tanto local como sistémica, principalmente de inmunoglobulinas A y G contra la omp48 de A. veronii. Estas se evidenciaron por la presencia de (i células productoras de anticuerpos contra omp48 en el tracto gastrointestinal, bazo y sangre, y (ii elevados niveles de anticuerpos circulantes.La estimulación del sistema inmune de mucosa mediante antígenos bacterianos inmunogénicos, puede ser una importante alternativa para el control y prevención de enfermedades asociadas a Aeromonas.

Experimental and theoretical investigation of the production of cations containing C-N bonds in the reaction of benzene with atomic nitrogen ions

International Nuclear Information System (INIS)

Di Stefano, Marco; Rosi, Marzio; Sgamellotti, Antonio; Ascenzi, Daniela; Bassi, Davide; Franceschi, Pietro; Tosi, Paolo

2003-01-01

In the last few years, astronomical spectra have revealed the presence of aromatic and polyaromatic molecules in extraterrestrial environments, near carbon stars, in molecular clouds and meteorites. Moreover, the recent observation of benzene in interstellar space has noticeably increased the interest in the entire class of molecules and in their chemical behavior. In this work, we have investigated the reaction between the benzene molecule and the atomic nitrogen cation and, in particular, the mechanisms by which the reactants are converted into cationic products containing at least one C-N bond, according to the general scheme C 6 H 6 +N + →H m C n N + +C x H y . We have measured the energy dependence of the cross section in a guided ion beam tandem mass spectrometer. Relevant stationary points of the potential energy surface have been studied by using the density functional theory hybrid functional B3LYP with the 6-31G* basis set. Thermochemical calculations, and the comparison with experimental results, allow us to distinguish between exoergic and endoergic processes and to obtain a detailed description of the reaction mechanisms. We show that aromatic hydrocarbons may be converted into organic-nitrogen compounds via the insertion of N + into the benzene ring and the formation of C-N bonds from C-C ring reactants

N,N,N′,N′,N′′,N′′,N′′′,N′′′-Octamethyl(but-2-ynebisamidinium bis(tetraphenylborate

Directory of Open Access Journals (Sweden)

Ioannis Tiritiris

2016-02-01

Full Text Available The asymmetric unit of the title salt, C12H24N42+.2C24H20B−, comprises half a cation and one tetraphenylborate ion. An inversion centre is situated at the mid-point of the triple C[triple-bond]C bond in the cation. The bisamidinium C—N bonds [1.3249 (11 and 1.3267 (11 Å] have double-bond character and both positive charges are delocalized between the dimethylamino groups. The bonds between the N atoms and the terminal C-methyl groups all have values characteristic for a typical single bond [1.4656 (12–1.4687 (12 Å]. The acetylenic bond length [1.1889 (18 Å] is consistent with a triple C[triple-bond]C bond and the butyne carbon chain is almost linear. C—H...π interactions between the bisamidinium methyl H atoms and the phenyl C atoms of the tetraphenylborate ions are present. The phenyl rings form aromatic pockets, in which the cations are embedded. This leads to the formation of a two-dimensional supramolecular pattern in the ab plane.

Neutron Scattering Differential Cross Sections for 12C

Science.gov (United States)

Byrd, Stephen T.; Hicks, S. F.; Nickel, M. T.; Block, S. G.; Peters, E. E.; Ramirez, A. P. D.; Mukhopadhyay, S.; McEllistrem, M. T.; Yates, S. W.; Vanhoy, J. R.

2016-09-01

Because of the prevalence of its use in the nuclear energy industry and for our overall understanding of the interactions of neutrons with matter, accurately determining the effects of fast neutrons scattering from 12C is important. Previously measured 12C inelastic neutron scattering differential cross sections found in the National Nuclear Data Center (NNDC) show significant discrepancies (>30%). Seeking to resolve these discrepancies, neutron inelastic and elastic scattering differential cross sections for 12C were measured at the University of Kentucky Acceleratory Laboratory for incident neutron energies of 5.58, 5.83, and 6.04 MeV. Quasi mono-energetic neutrons were scattered off an enriched 12C target (>99.99%) and detected by a C6D6 liquid scintillation detector. Time-of-flight (TOF) techniques were used to determine scattered neutron energies and allowed for elastic/inelastic scattering distinction. Relative detector efficiencies were determined through direct measurements of neutrons produced by the 2H(d,n) and 3H(p,n) source reactions, and absolute normalization factors were found by comparing 1H scattering measurements to accepted NNDC values. This experimental procedure has been successfully used for prior neutron scattering measurements and seems well-suited to our current objective. Significant challenges were encountered, however, with measuring the neutron detector efficiency over the broad incident neutron energy range required for these measurements. Funding for this research was provided by the National Nuclear Security Administration (NNSA).

Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

Science.gov (United States)

Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

2018-03-06

Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

Resolution and chemical formula identification of aromatic hydrocarbons and aromatic compounds containing sulfur, nitrogen, or oxygen in petroleum distillates and refinery streams.

Science.gov (United States)

Guan, S; Marshall, A G; Scheppele, S E

1996-01-01

An all-glass heated inlet system has been interfaced to a dual-trap Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The inlet vaporizes a mixture of species of widely different boiling points, and the interface maintains a large (factor of 10(10)) pressure gradient between the inlet and the mass spectrometer, making possible the analysis of petroleum distillates and refinery streams at very high mass resolution. Ions generated by low-energy electron ionization in the source trap of the spectrometer are transferred to the analyzer trap, where the pressure is at least 2 orders of magnitude lower. Singly-charged ions from a mass window of ∼20 u are isolated by stored-waveform radial ejection, to reduce space charge and increase digital resolution:  routine mass resolving power >200 000 (based on magnitude-mode peak full width at half-height) is thereby achieved throughout the full mass window. The mass window may be incremented stepwise to cover the full mass range of several hundred units. The FT-ICR mass spectrum of a gas oil aromatic neutral fraction contained peaks resulting from the resolution of ions having 358 distinct formulas over a mass range of ∼42 u. C(3)/SH(4), (13)C/CH, (13)CH/N, CH(2)/N, and other mass doublets were baseline-resolved, yielding typical mass measurement inaccuracies of ∼1 ppm. For example, (13)C(12)C(17)H(20)S(+) and C(21)H(17)(+), which differ by only 0.0011 u at ∼269 u, were clearly resolved. A 40 000 resolving power low-voltage spectrum of the aromatic neutrals, acquired by use of a Kratos MS-50 double-focusing instrument, was processed with a computer-based deisotoping/formula assignment procedure. The algorithm of the program is outlined and illustrated. Remarkably good agreement exists between the FT-ICR and MS-50 results. However, instrumental rather than indirect resolution of ions clearly enhances analytical accuracy and significantly reduces data-processing time. Thus, we have demonstrated

Synthesis of [14C]-62514, a radiolabelled derivative of erythromycin A, via [2-14C]N,N-dimethylethylenediamine

International Nuclear Information System (INIS)

Surber, B.W.; Baker, W.R.; Seif, L.

1991-01-01

The synthesis of [ 14 C]A-62514, 11-deoxy-11[carboxy(2-dimethylamino-[1- 14 C]ethyl)amino]-6-0-methyl-e rythromycin A 11,12-(cyclic ester), was performed in five steps. The key intermediate, [2- 14 C]N,N-dimethylethyl-enediamine, was obtained in 80% yield by reacting Eschenmoser's salt with K 14 CN and reducing the resulting [1- 14 C]N,N-dimethylglycinonitrile with H 2 and Raney Ni in methanol and ammonium hydroxide. The final product was obtained 97% radiochemically pure in an overall radiochemical yield of 14%, with a specific activity of 39 mCi/mmol. (author)

4,5-Bis(isopropylsulfanylbenzene-1,2-dicarbonitrile

Directory of Open Access Journals (Sweden)

Xingcui Wu

2010-04-01

Full Text Available In the title compound, C14H16N2S2, the C atoms of the aromatic ring, the two cyanide groups and the two S atoms of the isopropylsulfanyl groups are almost coplanar [maximum deviation from the mean plane = 0.042 (7 Å]. In the crystal, inversion dimers linked by aromatic π–π stacking occur, with a centroid–centroid separation of 3.7543 (8 Å.

Probing the possibility of a C-12/C-13 galactic abundance gradient

International Nuclear Information System (INIS)

Hawkins, I.

1990-01-01

High S/N (equal to or greater than 500) observations of interstellar CH+ with the 3.0 m telescope were performed at Lick Observatory and with the 4.0 m telescope at CTIO, of the reddened, early-type stars HD 183143, HD 24432, and HD 157038 in an effort to probe the existence of a C-12/C-13 abundance gradient in our Galaxy. Previous very high quality optical observations of interstellar CH+ toward five stars within 1 kpc of the Sun have yielded a precise weighted mean C-12/C-13 isotope ratio of 43 plus or minus 4 (1 sigma) (Hawkins, Jura, and Meyer 1985; Hawkins and Jura 1987). The isotope ratios derived toward four lines of sight in the local ISM are uniform within 12 percent. The similarity among these carbon isotope ratios determined in diffuse clouds possessing different physical conditions precludes the possibility that the CH+ molecule is suffering from isotope selective effects in these regions. The precise C-12/C-13 derivable from high quality observations of (12)CH+ and (13)CH+ provide the unique opportunity to probe the homogeneity of the ISM in a large scale and the history of nucleosynthesis in our Galaxy. Since CH+ seems to be the most sensitive probe of C-12/C-13 in the diffuse ISM, observations toward more distant stars located up to 2.5 kpc from the Sun are the best way to study the possibility of a Galactic (C-12/C-13) abundance gradient. The researcher obtained 4232 angstrom data toward all three of the stars mentioned above, 3957 angstrom data toward HD 183143 and HD 157038, and 3745 angstrom data toward HD 157038. Because of the poorer quality of the HD 24432 spectrum, and its weaker CH+ absorption lines, the satellite (13)CH+ line was not detected, and thus only a lower limit on the C-12/C-13 ratio toward this star was obtained. The results obtained from careful reduction and analysis of the data toward these stars in the Northern and Southern Hemispheres are presented

Bicyclic Baird-type aromaticity

Science.gov (United States)

Cha, Won-Young; Kim, Taeyeon; Ghosh, Arindam; Zhang, Zhan; Ke, Xian-Sheng; Ali, Rashid; Lynch, Vincent M.; Jung, Jieun; Kim, Woojae; Lee, Sangsu; Fukuzumi, Shunichi; Park, Jung Su; Sessler, Jonathan L.; Chandrashekar, Tavarekere K.; Kim, Dongho

2017-12-01

Classic formulations of aromaticity have long been associated with topologically planar conjugated macrocyclic systems. The theoretical possibility of so-called bicycloaromaticity was noted early on. However, it has yet to be demonstrated by experiment in a simple synthetic organic molecule. Conjugated organic systems are attractive for studying the effect of structure on electronic features. This is because, in principle, they can be modified readily through dedicated synthesis. As such, they can provide useful frameworks for testing by experiment with fundamental insights provided by theory. Here we detail the synthesis and characterization of two purely organic non-planar dithienothiophene-bridged [34]octaphyrins that permit access to two different aromatic forms as a function of the oxidation state. In their neutral forms, these congeneric systems contain competing 26 and 34 π-electronic circuits. When subject to two-electron oxidation, electronically mixed [4n+1]/[4n+1] triplet biradical species in the ground state are obtained that display global aromaticity in accord with Baird's rule.

Welding of high-strength stainless steel 03Kh12N10MT for cryogenic engineering

International Nuclear Information System (INIS)

Pustovit, A.I.

1989-01-01

Consideration is being given to weld resistance to cold and hot cracking at 93 and 77K and to mechanical properties of welded joints of high-strength stainless steel 03Kh12N10MT, produced under the fluxes AN-17M, AN-18, AN-26, AN-45, ANF-5, 48-OF-6, ANK-45 and ANK-49 in combination with various welding wires. It is shown that welds on 03Kh12N10MT steel meet the requirements only when using 48-OF-6 or ANK-49 flux. It is noted that impact strength of welds at 77K is sufficiently affected by the volume fraction of non-metallic inclusions in weld metal

Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins.

Science.gov (United States)

Balakrishnan, Swati; Sarma, Siddhartha P

2017-08-22

Aromatic interactions are an important force in protein folding as they combine the stability of a hydrophobic interaction with the selectivity of a hydrogen bond. Much of our understanding of aromatic interactions comes from "bioinformatics" based analyses of protein structures and from the contribution of these interactions to stabilizing secondary structure motifs in model peptides. In this study, the structural consequences of aromatic interactions on protein folding have been explored in engineered mutants of the molten globule protein apo-cytochrome b 5 . Structural changes from disorder to order due to aromatic interactions in two variants of the protein, viz., WF-cytb5 and FF-cytb5, result in significant long-range secondary and tertiary structure. The results show that 54 and 52% of the residues in WF-cytb5 and FF-cytb5, respectively, occupy ordered regions versus 26% in apo-cytochrome b 5 . The interactions between the aromatic groups are offset-stacked and edge-to-face for the Trp-Phe and Phe-Phe mutants, respectively. Urea denaturation studies indicate that both mutants have a C m higher than that of apo-cytochrome b 5 and are more stable to chaotropic agents than apo-cytochrome b 5 . The introduction of these aromatic residues also results in "trimer" interactions with existing aromatic groups, reaffirming the selectivity of the aromatic interactions. These studies provide insights into the aromatic interactions that drive disorder-to-order transitions in intrinsically disordered regions of proteins and will aid in de novo protein design beyond small peptide scaffolds.

Application of inverse kinematics to 1H+23Na→12C+12C

International Nuclear Information System (INIS)

Bennett, S.J.; Clarke, N.M.; Freer, M.; Fulton, B.R.; Hall, S.J.; Karban, O.; Murgatroyd, J.T.; Tungate, G.; Gyapong, G.J.; Jarvis, N.S.; Watson, D.L.; Rae, W.D.M.; Smith, A.E.; Lilley, J.S.; Woods, P.J.; Page, R.D.

1993-01-01

Some experimental techniques used in the measurement and analysis of inverse kinematic reactions are described and applied to a kinematically complete study of the 1 H( 23 Na, 12 C) 12 C reaction at an incident energy of 180 MeV. An excitation function is obtained for the energy range of 18.5 to 19.2 MeV in 24 Mg*; equivalent to proton energies from 7.1 MeV to 7.8 MeV for the 23 Na(p, 12 C) 12 C reaction. (orig.)

Analogs of solid nanoparticles as precursors of aromatic hydrocarbons

Science.gov (United States)

Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

2013-06-01

Context. Aromatic =CH and C=C vibrational bands have been observed within shocked interstellar regions, indicating the presence of aromatic emission carriers such as PAHs, which may have been created from adjacent molecular cloud material by interaction with a shock front. Aims: We investigate the evolution of the aromatic =CH and C=C vibrational modes at 3.3 and 6.2 μm wavelength in heated HAC materials, PAHs and mixed PAHs and HACs, respectively, aiming at an explanation of the evolution of carbonaceous dust grains in the shocked regions. Methods: Materials used in these analogs (HAC and PAH materials) were prepared by the laser ablation and the laser pyrolysis methods, respectively. The transmission electron microscopy (TEM) in high-resolution mode was used as an analytical technique to characterize the aromatic layers in HACs. Spectroscopic analysis was prformed in the mid-IR range. Results: A remarkable destruction of aliphatic structures in HACs has been observed with the thermal processing, while aromatic structures become dominating by increasing the diameters of the graphene layers. The aromatic bands at 3.3 and 6.2 μm, observed in the laboratory spectra of PAHs and of the combination of the PAHs and HAC materials, are also clearly observed in the spectrum of the heated HACs. These bands agree with those of aromatic bands observed in astronomical observations. Conclusions: Aromatization of HACs could be a pre-stage in the decomposition process of hydrocarbons that form PAH-clusters in such hot interstellar medium.

GC×GC measurements of C7-C11 aromatic and n-alkane hydrocarbons on Crete, in air from Eastern Europe during the MINOS campaign

Directory of Open Access Journals (Sweden)

X. Xu

2003-01-01

Full Text Available During the Mediterranean Intensive Oxidant Study (MINOS campaign in August 2001 gas-phase organic compounds were measured using comprehensive two-dimensional gas chromatography (GCxGC at the Finokalia ground station, Crete. In this paper, C7-C11 aromatic and n-alkane measurements are presented and interpreted. The mean mixing ratios of the hydrocarbons varied from 1±1 pptv (i-propylbenzene to 43±36 pptv (toluene. The observed mixing ratios showed strong day-to-day variations and generally higher levels during the first half of the campaign. Mean diel profiles showed maxima at local midnight and late morning, and minima in the early morning and evening. Results from analysis using a simplified box model suggest that both the chemical sink (i.e. reaction with OH and the variability of source strengths were the causes of the observed variations in hydrocarbon mixing ratios. The logarithms of hydrocarbon concentrations were negatively correlated with the OH concentrations integral over a day prior to the hydrocarbon measurements. Slopes of the regression lines derived from these correlations for different compounds are compared with literature rate constants for their reactions with OH. The slopes for most compounds agree reasonably well with the literature rate constants. A sequential reaction model has been applied to the interpretation of the relationship between ethylbenzene and two of its potential products, i.e. acetophenone and benzeneacetaldehyde. The model can explain the good correlation observed between [acetophenone]/[ethylbenzene] and [benzeneacetaldehyde]/[ethylbenzene]. The model results and field measurements suggest that the reactivity of benzeneacetaldehyde may lie between those of acetophenone and ethylbenzene and that the ratio between yields of acetophenone and benzeneacetaldehyde may be up to 28:1. Photochemical ages of trace gases sampled at Finokalia during the campaign are estimated using the sequential reaction model and

Application of mesoporous Al-MCM-48 material to the conversion of lignin.

Science.gov (United States)

Lee, Hyung Won; Lee, In-Gu; Park, Sung Hoon; Jeon, Jong-Ki; Suh, Dong Jin; Jung, Jinho; Park, Young-Kwon

2014-04-01

Al-MCM-48 was applied to the catalytic pyrolysis of lignin for the first time. The pyrolysis reaction and in-situ product were analyzed by pyrolysis gas chromatography/mass spectrometry. The main products of the non-catalytic pyrolysis of lignin were phenols. The use of Al-MCM-48 increased the production of light phenols considerably. The yields of high-value-added compounds, such as hydrocarbons and aromatics, were also increased by catalytic upgrading. Al-MCM-48 is believed to promote cracking, aromatization and deoxygenation, such as decarbonylation. On the other hand, Si-MCM-48, which has no acid sites, showed lower deoxygenation efficiency than Al-MCM-48. Al-MCM-48 could be regenerated by calcining in air.

48 CFR 12.202 - Market research and description of agency need.

Science.gov (United States)

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Market research and description of agency need. 12.202 Section 12.202 Federal Acquisition Regulations System FEDERAL ACQUISITION... Commercial Items 12.202 Market research and description of agency need. (a) Market research (see 10.001) is...

Bis[μ-(E-N-(pyridin-3-ylmethylidenehydroxyamine]-κ2N1:N3;κ2N3:N1-bis{[(E-N-(pyridin-3-ylmethylidene-κNhydroxyamine]silver(I} dinitrate

Directory of Open Access Journals (Sweden)

Shan Gao

2012-12-01

Full Text Available In the centrosymmetric dinuclear title AgI compound, [Ag2(C6H6N2O4](NO32, the aromatic amine-coordinated AgI atom is further bridged by two hydroxylamine molecules that use aromatic and oxime N atoms for bridging, and it exists in a distorted trigonal-planar geometry. In the crystal, the nitrate anions link to the dinuclear compound molecules via O—H...O hydrogen bonds, generating a chain running along the a-axis direction.

Critical contribution of aromatic rings to specific recognition of polyether rings. The case of ciguatoxin CTX3C-ABC and its specific antibody 1C49.

Science.gov (United States)

Tsumoto, Kouhei; Yokota, Akiko; Tanaka, Yoshikazu; Ui, Mihoko; Tsumuraya, Takeshi; Fujii, Ikuo; Kumagai, Izumi; Nagumo, Yoko; Oguri, Hiroki; Inoue, Masayuki; Hirama, Masahiro

2008-05-02

To address how proteins recognize polyether toxin compounds, we focused on the interaction between the ABC ring compound of ciguatoxin 3C and its specific antibody, 1C49. Surface plasmon resonance analyses indicated that Escherichia coli-expressed variable domain fragments (Fv) of 1C49 had the high affinity constants and slow dissociation constants typical of antigen-antibody interactions. Linear van't Hoff analyses suggested that the interaction is enthalpy-driven. We resolved the crystal structure of 1C49 Fv bound to ABC ring compound of ciguatoxin 3C at a resolution of 1.7A. The binding pocket of the antibody had many aromatic rings and bound the antigen by shape complementarity typical of hapten-antibody interactions. Three hydrogen bonds and many van der Waals interactions were present. We mutated several residues of the antibody to Ala, and we used surface plasmon resonance to analyze the interactions between the mutated antibodies and the antigen. This analysis identified Tyr-91 and Trp-96 in the light chain as hot spots for the interaction, and other residues made incremental contributions by conferring enthalpic advantages and reducing the dissociation rate constant. Systematic mutation of Tyr-91 indicated that CH-pi and pi-pi interactions between the aromatic ring at this site and the antigen made substantial contributions to the association, and van der Waals interactions inhibited dissociation, suggesting that aromaticity and bulkiness are critical for the specific recognition of polyether compounds by proteins.

Inactivation of Listeria monocytogenes in raw fruits by enterocin AS-48.

Science.gov (United States)

Molinos, Antonio Cobo; Abriouel, Hikmate; Ben Omar, Nabil; Lucas, Rosario; Valdivia, Eva; Gálvez, Antonio

2008-12-01

The purpose of this study was to determine the effect of enterocin AS-48 on Listeria monocytogenes CECT 4032 in fruits and fruit juice. Fruits were contaminated with a L. monocytogenes cell suspension, washed with enterocin AS-48 (25 microg/ml) or with sterile distilled water as control, and stored at different temperatures (-20, 6, 15, 22 degrees C). Washing treatments significantly inhibited or completely inactivated L. monocytogenes in strawberries, raspberries, and blackberries stored at 15 and 22 degrees C for up to 2 days and in blackberries and strawberries at 6 degrees C for up to 7 days. Washing treatments with enterocin AS-48 also reduced viable counts in sliced melon, watermelon, pear, and kiwi but did not avoid proliferation of survivors during storage at 15 and 22 degrees C. Added enterocin (25 microg/ml) completely inactivated L. monocytogenes in watermelon juice within 24 h. To enhance the antilisterial activity of treatments, enterocin AS-48 was tested in combination with other antimicrobial substances on sliced melon stored at 22 degrees C. The combinations of enterocin AS-48 and trisodium trimetaphosphate, sodium lactate, lactic acid, polyphosphoric acid, carvacrol, hydrocinnamic acid, p-hydroxybenzoic acid, n-propyl p-hydroxybenzoate, or 2-nitropropanol showed increased antilisterial activities compared with each antimicrobial tested separately. Washing treatments with enterocin AS-48 in combination with 12 mM carvacrol, as well as with 100 mM n-propyl p-hydroxybenzoate, avoided regrowth of Listeria during storage at 22 degrees C. Results from this study indicate that enterocin AS-48 alone or in combination with other preservatives could serve as an additional hurdle against L. monocytogenes in fruits and fruit juices.

Mass exchange during rectification of multicomponent mixtures of aromatic C/sub 9/ hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Kutsarov, R; Palichev, T; Tasev, Zh

1978-01-01

The effectiveness is determined of separating a multicomponent aromatic hydrocarbon (ArU) mixture into binary ones relative to the composition of the initial mixture. The study is conducted in mixtures of ArU which contain: C/sub 8/ ArU, isopropylbenzene, n-propylbenzene, ethyloluene, 1,3,5-trimetylbenzene, 1,2,4-trimethylbenzene, 1,2,3-trimethylbenzene and C/sub 10/ ArU. The total content of the C/sub 8/ and C/sub 10/ ArU is less than 2%. The constants of the phase equilibrium of the components are obtained through experiments or are calculated through the Chao-Sider method. The separation of the multicomponent mixture was conducted in periodic, automated rectification column 30 mm in diameter, filled with a steel spiral with a free volume of 0.818 m/sup 3//m/sup 3/ and a specific surface of 0.785 m/sup 2//m/sup 3/ and an effective headpiece height of 1.5 m. The temperature of the housing was maintained with a precision of 0.5/sup 0/, the speed of vapors was maintained constant (0.231 m/sec) through regulating the pressure differential between the top and bottom with a precision of 0.5 mm of mercury. After reaching a stationary mode, samples of the distillate and the sediment were taken and were analyzed chromatographically with a precision of 0.25%. Five distillations of the multicomponent mixtures of various make up were conducted and the distillates and sediments were analyzed. The obtained data are graphically presented.

Phase-shift-analysis approach to elastic neutron scattering from /sup 12/C between 9 and 12 MeV

Energy Technology Data Exchange (ETDEWEB)

Tornow, W. (Tuebingen Univ. (Germany, F.R.). Physikalisches Inst.); Walter, R.L.; Byrd, R.C. (Duke Univ., Durham, NC (USA). Dept. of Physics; Triangle Universities Nuclear Lab., Durham, NC (USA))

1985-03-01

The excitation energy, spin and parity of levels in /sup 13/C have been determined for excitation energies between 13 and 16 MeV via a phase-shift analysis of the measured total cross section, elastic differential cross section and analysing power for n + /sup 12/C in the neutron energy range from 8.9 to 12.0 MeV. New analysing power measurements are reported for this energy range. The present and previous experimental data are well described by the phase shifts obtained. The non-elastic cross section for n + /sup 12/C predicted from the phase shifts is in good agreement with the ENDF/B-V evaluation. The need for further experimental data is pointed out.

Differing Effects of Younger and Older Human Plasma on C2C12 Myocytes in Vitro

Directory of Open Access Journals (Sweden)

Ifigeneia Kalampouka

2018-02-01

Full Text Available Ageing is associated with a general reduction of physiological function and a reduction of muscle mass and strength. Endocrine factors such as myostatin, activin A, growth and differentiation factor 11 (GDF-11 and their inhibitory peptides influence muscle mass in health and disease. We hypothesised that myocytes cultured in plasma from older and younger individuals would show an ageing effect, with reduced proliferation and differentiation in older environments. C2C12 myoblasts were grown as standard and stimulated with media conditioned with 5% plasma from healthy male participants that were either younger (n = 6, 18–35 years of age or older (n = 6, >57 years of age. Concentration of plasma myostatin (total and free, follistatin-like binding protein (FLRG, GDF-11 and activin A were quantified by ELISA. Both FLRG and activin A were elevated in older individuals (109.6 and 35.1% increase, respectively, whilst myostatin (free and total and GDF-11 were not. Results indicated that plasma activin A and FLRG were increased in older vs. younger participants, GDF11 and myostatin did not differ. Myoblasts in vitro showed no difference in proliferation rate between ages, however scratch closure was greater in younger vs. older plasma stimulated myoblasts (78.2 vs. 87.2% of baseline scratch diameter, respectively. Myotube diameters were larger in cells stimulated with younger plasma than with older at 24 and 48 h, but not at 2 h. A significant negative correlation was noted between in vivo plasma FLRG concentration and in vitro myotube diameter 48 h following plasma stimulation (r2 = 0.392, p = 0.030. Here we show that myoblasts and myotubes cultured in media conditioned with plasma from younger or older individuals show an ageing effect, and further this effect moderately correlates with circulating FLRG concentration in vivo. The effect of ageing on muscle function may not be innate to the tissue, but involve a general cellular environment change

Dual element ((15)N/(14)N, (13)C/(12)C) isotope analysis of glyphosate and AMPA by derivatization-gas chromatography isotope ratio mass spectrometry (GC/IRMS) combined with LC/IRMS.

Science.gov (United States)

Mogusu, Emmanuel O; Wolbert, J Benjamin; Kujawinski, Dorothea M; Jochmann, Maik A; Elsner, Martin

2015-07-01

To assess sources and degradation of the herbicide glyphosate [N-(phosphonomethyl) glycine] and its metabolite AMPA (aminomethylphosphonic acid), concentration measurements are often inconclusive and even (13)C/(12)C analysis alone may give limited information. To advance isotope ratio analysis of an additional element, we present compound-specific (15)N/(14)N analysis of glyphosate and AMPA by a two step derivatization in combination with gas chromatography/isotope ratio mass spectrometry (GC/IRMS). The N-H group was derivatized with isopropyl chloroformate (iso-PCF), and remaining acidic groups were subsequently methylated with trimethylsilyldiazomethane (TMSD). Iso-PCF treatment at pH 10 indicated decomposition of the derivative. At pH 10, and with an excess of iso-PCF by 10-24, greatest yields and accurate (15)N/(14)N ratios were obtained (deviation from elemental analyzer-IRMS: -0.2 ± 0.9% for glyphosate; -0.4 ± 0.7% for AMPA). Limits for accurate δ(15)N analysis of glyphosate and AMPA were 150 and 250 ng injected, respectively. A combination of δ(15)N and δ(13)C analysis by liquid chromatography/isotope ratio mass spectrometry (LC/IRMS) (1) enabled an improved distinction of commercial glyphosate products and (2) showed that glyphosate isotope values during degradation by MnO2 clearly fell outside the commercial product range. This highlights the potential of combined carbon and nitrogen isotopes analysis to trace sources and degradation of glyphosate.

Hydroisomerization of n-dodecane over Pt/Al-MCM-48 catalysts.

Science.gov (United States)

Yun, Soyoung; Park, Young-Kwon; Jeong, Soon-Yong; Han, Jeongsik; Jeon, Jong-Ki

2014-04-01

The objective of this study is to evaluate the catalytic potential of Pt/Al-MCM-48 catalysts in hydroisomerization of n-dodecane. The effects of the Si/Al ratio and platinum loading on the acid characteristics of Al-MCM-48 and the catalytic performance in n-dodecane hydroisomerization were analyzed. The catalysts were characterized by X-ray diffraction, nitrogen adsorption, infrared spectroscopy of pyridine adsorption, and temperature programmed desorption of ammonia. The number of weak strength acid sites on Al-MCM-48 increased with 0.5 wt% platinum loading. The weak strength acid sites of Pt/Al-MCM-48 catalysts were ascribed to Lewis acid sites, which can be confirmed by NH3-TPD and FTIR spectra of pyridine adsorption. Iso-dodecane can be produced with high selectivity in n-dodecane hydrosisomerization over Pt/Al-MCM-48 catalysts. This is attributed to the mild acidic properties of Pt/Al-MCM-48 catalysts.

Excited states of 12C above the alpha-decay threshold

International Nuclear Information System (INIS)

Freer, M; Ashwood, N I; Barr, M; Curtis, N; Malcolm, J D; Wheldon, C; Ziman, V A; Almaraz-Calderon, S; Aprahamian, A; Bucher, B; Couder, M; Fang, X; Jung, F; Lu, W; Roberts, A; Tan, W P; Copp, P; Lesher, S

2011-01-01

The excitation energy spectrum of 12 C is important for both structural and astrophysical reasons; here we present evidence for a new state in 12 C. The two reactions 12 C( 4 He, 4 He+ 4 He+ 4 He) 4 He and 9 Be( 4 He, 4 He+ 4 He+ 4 He)n were measured using an array of four double sided strip detectors. Excited states in 12 C were reconstructed filtered by the condition that the alpha-decay proceeded via the 8 Be ground-state. In both measurements evidence was found for a new state at 13.3(0.2) MeV with a width 1.7(0.2) MeV. Angular correlation measurements from the 12 C( 4 He, 4 He+ 4 He+ 4 He) 4 He reaction indicates that the state may have J π = 4 + .

48 CFR 1201.104 - Applicability.

Science.gov (United States)

2010-10-01

... Transportation Acquisition Manual (TAM): (1) Statute; (2) (FAR) 48 CFR chapter 1 or other applicable regulation; (3) (TAR) 48 CFR chapter 12; (4) DOT Orders; and (5) TAM. (c) The Maritime Administration may depart....C. 113(e)(15) but shall adhere to those regulations to the maximum extent practicable. Exceptions...

Differential cross section measurement of radiative capture of protons by nuclei 12C

International Nuclear Information System (INIS)

Burtebayev, N.; Zazulin, D.M.; Buminskii, V.P.; Zarifov, R.A.; Tohtarov, R.N.; Sagindykov, Sh.Sh.; Baktibayev, M.K.

2003-01-01

Measurements of differential cross sections of nuclear reaction 12 C(p, γ) 13 N at 0, 45, 90, 135 Deg. to beam direction of flying protons in the field of E p = 350-1100 KeV with an error it is not worse than 10 % have been carried out. Most important was studied, from the astrophysical point of view, process of capture of protons by nucleuses 12 C on the ground state of a nucleus 13 N. It is experimentally shown isotropy of angular distribution of differential cross sections of reaction 12 C(p, γ) 13 N, in the given field energy of protons

Dicty_cDB: Contig-U16596-1 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available .73 1 ( FM992690 ) Candida dubliniensis CD36 chromosome 3, complete ... 48 0.73 1 ( AC137986 ) Medicago trun...10858 |pid:none) Mus musculus N-terminal aceyltrans... 132 3e-29 AY112670_1( AY11...nd RacE (ra... 46 0.12 3 ( EJ551684 ) 1092959454731 Global-Ocean-Sampling_GS-29-0...1-01-1... 48 0.14 2 ( EJ446374 ) 1093015335299 Global-Ocean-Sampling_GS-28-01-01-1... 44 0.18 2 ( EK398314 )... 1095469528885 Global-Ocean-Sampling_GS-31-01-01-1... 50 0.19 1 ( EE263764 ) C01_C01gf4j1_pDNRf_505782 Myzus persicae, li

Emission of particles in the 12 C + 12 C fusion

International Nuclear Information System (INIS)

Martinez Q, E.; Aguilera, E.F.; Rosales, P.

2002-01-01

A fusion process analysis of the 12 C + 12 C reaction is done, using the LILITA program. The analysis consisted mainly in varying the value of the Levels density parameter, determining on this way the value of such parameter which reproduces better the contribution of the different channels of fusion-evaporation of particles for this system at different energies. Moreover a comparison with measures done in the Instituto Nacional de Investigaciones Nucleares is realized. (Author)

Reducing effect of artichoke extract on heterocyclic aromatic amine formation in beef and chicken breast meat.

Science.gov (United States)

Tengilimoglu-Metin, Mercan Merve; Kizil, Mevlude

2017-12-01

The aim of this study was to investigate the inhibitory effect of different levels of artichoke extract (0, 0.5, and 1.0%) on the formation of heterocyclic aromatic amines (HAAs) in beef and chicken breast meat cooked by either pan-frying or oven-roasting. All meat samples were cooked at three different temperatures (150, 200, and 250°C) and the levels of 12 HAAs (IQ, IQx, MeIQ, MeIQx, 4,8-DiMeIQx, 7,8-DiMeIQx, PhIP, harman, norharman, AαC, MeAαC, and Trp-P-2) were assessed. The total HAA content in beef and chicken breast ranged from not detectable to 49.26ng/g, and not detectable to 83.06ng/g, respectively. The inhibitory effects of 0.5 and 1.0% artichoke extracts on total HAAs levels were found to be 6-46% and 25-98% in beef, and 5-97% and 14-95% in chicken breast, respectively. The present study showed that artichoke extracts could mitigate HAA formation especially in oven-roasted beef and chicken breast meat. Copyright © 2017 Elsevier Ltd. All rights reserved.

The direct aromatization of methane

Energy Technology Data Exchange (ETDEWEB)

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

1995-12-31

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

Alkylation of organic aromatic compounds

Science.gov (United States)

Smith, Jr., Lawrence A.

1989-01-01

Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

Alkylation of organic aromatic compounds

Science.gov (United States)

Smith, L.A. Jr.

1989-07-18

Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

Microbial production of the aromatic building-blocks (S)-styrene oxide and (R)-1,2-phenylethanediol from renewable resources.

Science.gov (United States)

McKenna, Rebekah; Pugh, Shawn; Thompson, Brian; Nielsen, David R

2013-12-01

(S)-Styrene oxide and (R)-1,2-phenylethanediol are chiral aromatic molecular building blocks used commonly as precursors to pharmaceuticals and other specialty chemicals. Two pathways have been engineered in Escherichia coli for their individual biosynthesis directly from glucose. The novel pathways each constitute extensions of the previously engineered styrene pathway, developed by co-expressing either styrene monooxygenase (SMO) or styrene dioxygenase (SDO) to convert styrene to (S)-styrene oxide and (R)-1,2-phenylethanediol, respectively. StyAB from Pseudomonas putida S12 was determined to be the most effective SMO. SDO activity was achieved using NahAaAbAcAd of Pseudomonas sp. NCIB 9816-4, a naphthalene dioxygenase with known broad substrate specificity. Production of phenylalanine, the precursor to both pathways, was systematically enhanced through a number of mutations, most notably via deletion of tyrA and over-expression of tktA. As a result, (R)-1,2-phenylethanediol reached titers as high as 1.23 g/L, and at 1.32 g/L (S)-styrene oxide titers already approach their toxicity limit. As with other aromatics, product toxicity was strongly correlated with a model of membrane accumulation and disruption. This study additionally demonstrates that greater flux through the styrene pathway can be achieved if its toxicity is addressed, as achieved in this case by reacting styrene to less toxic products. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determinación de parámetros cinéticos por la técnica calorimétrica de barrido único. Aplicación a la cristalización no isoterma de la aleación Sb0.12As0.40Se0.48

Directory of Open Access Journals (Sweden)

Jiménez-Garay, R.

2000-08-01

Full Text Available A procedure has been developed for analyzing the evolution with time of the crystallized fraction and for calculating the kinetic parameters at non-isothermal reactions involving formation and growth of nuclei. Considering the assumptions of extended volume and random nucleation, a general expression of the transformed fraction as a function of time has been obtained in isothermal crystallization processes. The crystallization rate deduced has been applied to the non-isothermal processes under the restriction of a nucleation which takes place early in the transformation and the nucleation frequency is zero thereafter. In these conditions, the kinetic parameters have been deduced by using the technique of single-scan. The theoretical method developed has been applied to the crystallization kinetics of the semiconducting Sb0.12As0.40Se0.48 alloy. The kinetic parameters obtained differ by only about 6% of those calculated by multiple-scan techniques, which confirms the reliability and accuracy of the single-scan technique when calculating the mentioned parameters in non-isothermal processes.Se ha desarrollado un procedimiento para analizar la evolución temporal de la fracción cristalizada y calcular los parámetros cinéticos de reacciones no isotermas que implican la formación y crecimiento de núcleos. Considerando las hipótesis de volumen extendido y nucleación al azar, se ha obtenido una expresión general de la fracción transformada como función del tiempo en procesos de cristalización isotermos. La velocidad de cristalización deducida se ha aplicado a procesos no isotermos bajo la restricción de nucleación al principio de la transformación y que se anula posteriormente. En estas condiciones, se han deducido los parámetros cinéticos usando la técnica de barrido único. El método teórico desarrollado se ha aplicado a la cristalización de la aleación semiconductora Sb0.12As0.40Se0.48. Los parámetros cinéticos obtenidos

properties of Cr(C,N) hard coatings deposited in Ar-C2H2-N2 plasma

International Nuclear Information System (INIS)

Macek, M.; Cekada, M.; Kek, D.; Panjan, P.

2002-01-01

Mechanical properties, microstructure and the average chemical composition of Cr(C,N) hard coatings deposited in Ar-C 2 H 2 -N 2 plasma strongly depends on the partial pressure of the reactive gases (N 2 , C 2 H 2 ) and on the type of the deposition equipment. In this study we report on the properties of Cr(C,N) hard coatings deposited by means of the triode ion plating in the BAI 730 apparatus and those prepared by sputter deposition in Balzers Sputron in the pressure range from 0.12 Pa (pure Ar) up to 0.35 Pa with different ratios (0-100%) between C 2 H 2 and N 2 . At first mechanical properties (microhardness and adhesion) of coatings were analyzed on the common way. Internal stress was measured by the radius of substrate curvature. Chemical composition of coatings was analyzed by means of AES while the Raman and XPS spectroscopy was used to determined the nature of carbon bonding in the Cr(C,N) films. Microstructure was determined by XRD as well as by means of TEM and TED. Chemical state of various elements in the coating has been studied by XPS. The ratio of the carbide bond (C-Cr) against the C-C and C-H bonds was calculated. The existence of the graphite phase in some Cr(C,N) coatings was confirmed by Raman spectroscopy. (Authors)

Aromatic C-Nitroso Compounds and Their Dimers: A Model for Probing the Reaction Mechanisms in Crystalline Molecular Solids

Directory of Open Access Journals (Sweden)

Ivana Biljan

2017-12-01

Full Text Available This review is focused on the dimerization and dissociation of aromatic C-nitroso compounds and their dimers, the reactions that could be used as a convenient model for studying the thermal organic solid-state reaction mechanisms. This molecular model is simple because it includes formation or breaking of only one covalent bond between two nitrogen atoms. The crystalline molecular solids of nitroso dimers (azodioxides dissociate by photolysis under the cryogenic conditions, and re-dimerize by slow warming. The thermal re-dimerization reaction is examined under the different topotactic conditions in crystals: disordering, surface defects, and phase transformations. Depending on the conditions, and on the molecular structure, aromatic C-nitroso compounds can associate to form one-dimensional polymeric structures and are able to self-assemble on gold surfaces.

Efficient and Selective Reduction of Aromatic Nitro Compounds to Aromatic Amines by NbCl{sub 5}/Indium System

Energy Technology Data Exchange (ETDEWEB)

Yoo, Byung Woo; Kim, Duckil; Kim, Hyung Min; Kang, Sung Ho [Korea Univ., Seoul (Korea, Republic of)

2012-09-15

Aromatic amines find applicability in diverse fields including dyes, pharmaceuticals, agrochemicals, and photographic materials. To date, there are a variety of methods, which can be used to convert aromatic nitro compounds to their corresponding amines. Some of them include Cp{sub 2}TiCl{sub 2}/In, Al/NH{sub 4}Cl, (NH{sub 4}){sub 2}SO{sub 4}/NaBH{sub 4}, NiCl{sub 2}6H{sub 2}O/In, HI, Sm/I{sub 2}, In/NH{sub 4}Cl, B{sub 4}H{sub 10}/Pd/C, Co{sub 2}(CO){sub 8}/H{sub 2}O and In/HCl. However, most methods still lack the desired chemo-selectivity when other reducible functional groups are present in the nitroarene and often require long reaction times, or harsh reaction conditions. Consequently, efficient and selective methods for the reduction of aromatic nitro compounds continue to be developed. It has been reported that NbCl{sub 5}/Zn system is used as a reagent for reducing sulfoxides, epoxides, and amine N-oxides.12 Because of the close resemblance of indium to zinc in several respects, including first ionization potential, we considered that NbCl{sub 5}/In system can be an efficient reducing agent for the conversion of aromatic nitro compounds to the corresponding amines. Recently, indium metal has attracted much attention for its unique properties such as low toxicity and high stability in water and air compared with other metals. In continuation of our interest in exploring the utility of metal-metal salt system in organic synthesis, we would like to report an efficient and chemo-selective method for the reduction of various aromatic nitro compounds to the corresponding amines by treatment with NbCl{sub 5}/In system (eq. 1). The new reduction system was generated by the addition of indium powder to a stirred solution of niobium(V) chloride in THF under sonication. The generation of low-valent niobium species was examined at room temperature with an excess of indium metal. The observations suggest that this procedure can be applied for the chemo

Emission of particles in the {sup 12} C + {sup 12} C fusion; Emision de particulas en la fusion de {sup 12} C + {sup 12} C

Energy Technology Data Exchange (ETDEWEB)

Martinez Q, E.; Aguilera, E.F.; Rosales, P. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

2002-07-01

A fusion process analysis of the {sup 12} C + {sup 12} C reaction is done, using the LILITA program. The analysis consisted mainly in varying the value of the Levels density parameter, determining on this way the value of such parameter which reproduces better the contribution of the different channels of fusion-evaporation of particles for this system at different energies. Moreover a comparison with measures done in the Instituto Nacional de Investigaciones Nucleares is realized. (Author)

Phenyl N-phenylcarbamate

Directory of Open Access Journals (Sweden)

Durre Shahwar

2009-06-01

Full Text Available In the title compound, C13H11NO2, the aromatic rings are oriented at a dihedral angle of 42.52 (12°. The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along the a axis. C—H...π interactions between the aromatic rings are also present.

Prevalencia de caries dental en escolares de 6-12 años de edad de León, Nicaragua Prevalence of dental caries in 6-12-year-old schoolchildren in Leon, Nicaragua

Directory of Open Access Journals (Sweden)

Míriam del Socorro Herrera

2005-08-01

Full Text Available Objetivo: Determinar la prevalencia de caries dental, el índice de caries significativo (SiC y los índices ceod y CPOD (suma de dientes cariados, perdidos/extraídos y obturados en la dentición temporal y permanente en escolares de 6 a 12 años de edad de León, Nicaragua. Pacientes y método:Los datos dentales de una muestra representativa de 1.400 niños escolares fueron recogidos y analizados en un estudio transversal (año 2002. Todos los sujetos fueron examinados visual y clínicamente por uno de los 2 examinadores capacitados y estandarizados. Resultados: El 28,6% de los niños estaba libre de caries en ambas denticiones. La prevalencia de caries en la dentición temporal a los 6 años de edad fue del 72,6% y la de la dentición permanente a los 12 años fue del 45,0%. El SiC fue 4,12 en los niños de 12 años de edad. La media de los índices de caries (ceod y CPOD para la muestra fue 2,98 ± 2,93 (n = 1.125 y 0,65 ± 1,43 (n = 1.379. Los niños con antecedentes de caries en la dentición temporal tuvieron mayor probabilidad de presentar caries en la dentición permanente (odds ratio = 2,48; intervalo de confianza del 95%, 1,66-3,79. Conclusión: Se observó una baja prevalencia de caries en la dentición permanente con un alto porcentaje de dientes obturados, a diferencia de lo observado en la dentición temporal. A unos años de las metas propuestas para el año 2000 (FDI/OMS, no se cumplieron los objetivos en los niños de 6 años de edad. Sin embargo, la meta para el año 2000 en niños de 12 años fue satisfactoria. Como en otros estudios, observamos que la experiencia de caries en la dentición temporal se encuentra asociada con la presencia de caries en la dentición permanente.Objective: To determine the prevalence of caries, deft and DMFT indices (sum of decay, messing, and filling tooth in primary and permanent dentition, and the Significant Caries Index (SiC in scholars from Leon, Nicaragua. Patients and method: Dental data

SULFUR- AND SILICON-BEARING MOLECULES IN PLANETARY NEBULAE: THE CASE OF M2-48

Energy Technology Data Exchange (ETDEWEB)

Edwards, J. L.; Ziurys, L. M., E-mail: lziurys@email.arizona.edu [Department of Chemistry, The University of Arizona, P.O. Box 210041, Tucson, AZ 85721 (United States)

2014-10-20

Molecular-line observations of the bipolar planetary nebula (PN) M2-48 have been conducted using the Sub-Millimeter Telescope and the 12 m antenna of the Arizona Radio Observatory at 1, 2, and 3 mm. M2-48 is estimated to be ∼4800 yr old, midway through the PN evolutionary track. SiO and SO{sub 2} were detected in this source—the first identification of either molecule in a PN. CN, HCN, HNC, CS, SO, HCO{sup +}, N{sub 2}H{sup +}, and several {sup 13}C isotopologues such as {sup 13}CN, H{sup 13}CN, and H{sup 13}CO{sup +} were also observed toward this object. A radiative transfer analysis of multiple SiO transitions indicates a gas kinetic temperature of T {sub K} ∼ 55 K and a density of n(H{sub 2}) ∼ 9 × 10{sup 5} cm{sup –3} in M2-48, in agreement with previous CS and CO modeling. After CO, CN, and SO were found to be the most prevalent molecules in this nebula, with fractional abundances, relative to H{sub 2}, of f ∼ 3.8 × 10{sup –7} and 2.4 × 10{sup –7}, respectively. SO{sub 2} and HCN are also abundant, with f ∼ 1.2 × 10{sup –7}, indicating an [SO]/[SO{sub 2}] ratio of ∼2. Relatively high ion abundances were measured in M2-48 as well, with f ∼ 10{sup –7} for both HCO{sup +} and N{sub 2}H{sup +}. An [HCN]/[HNC] ratio of ∼2 was determined, as typically observed in other PNe, independent of age. The high abundances of SO and SO{sub 2}, along with the presence of SiO with f ∼ 2.9 × 10{sup –8}, suggest O/C > 1 in this source; furthermore, the prevalence of CN and N{sub 2}H{sup +} indicates nitrogen enrichment. The {sup 12}C/{sup 13}C ratio of ∼3 in the nebula was also established. These factors indicate hot-bottom burning occurred in the progenitor star of M2-48, suggesting an initial mass > 4 M {sub ☉}.

Variations in the Peak Position of the 6.2 micron Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

Science.gov (United States)

Hudgins, Douglas M.; Bauschlicher, Charles W.; Allamandola, L. J.

2005-01-01

This paper presents the results of an investigation of the molecular characteristics that underlie the observed peak position and profile of the nominal 6.2 micron interstellar emission band generally attributed to the CC stretching vibrations of polycyclic aromatic hydrocarbons (PAHs). It begins with a summary of recent experimental and theoretical studies ofthe spectroscopic properties of large (>30 carbon atoms) PAH cations as they relate to this aspect of the astrophysical problem. It then continues with an examination of the spectroscopic properties of a number of PAH variants within the context of the interstellar 6.2 micron emission, beginning with a class of compounds known as polycyclic aromatic nitrogen heterocycles (PANHs; PAHs with one or more nitrogen atoms substituted into their carbon skeleton). In this regard, we summarize the results of recent relevant experimental studies involving a limited set of small PANHs and their cations and then report the results of a comprehensive computational study that extends that work to larger PANH cations including many nitrogen-substituted variants of coronene(+) (C24H12(+)), ovalene(+) (C32H14(+)), circumcoronene(+) (C54H18(+)), and circum-circumcoronene(+) (C96H24(+)). Finally, we report the results of more focused computational studies of selected representatives from a number of other classes of PAH variants that share one or more of the key attributes of the PANH species studied. These alternative classes of PAH variants include (1) oxygen- and silicon-substituted PAH cations; (2) PAH-metal ion complexes (metallocenes) involving the cosmically abundant elements magnesium and iron; and (3) large, asymmetric PAH cations. Overall, the studies reported here demonstrate that increasing PAH size alone is insuEcient to account for the position of the shortest wavelength interstellar 6.2 micron emission bands, as had been suggested by earlier studies. On the other hand, this work reveals that substitution of one or

Ternary Mixtures of N-Docosane, N-Tricosane and N-Tetracosane Mélanges ternaires de n-docosane, n-tricosane et n-tétracosane

Directory of Open Access Journals (Sweden)

Nouar H.

2006-11-01

Full Text Available Binary phase diagrams of the systems: n-docosane: n-tricosane (C22H46 : C23H48, n-tricosane: n-tetracosane (C23H48: C24H50 and n-docosane: n-tetracosane (C22H46: C24H50 have been established by means of structural and differential scanning calorimetry analyses. On the basis of these results and of X-ray examination of forty one ternary mixtures, it is proposed the ternary phase diagram (C22H46: C23H48: C24H50 at room temperature. This work has indicated the existence of limited terminal solid solutions near the three pure n-alkanes and three domains of orthorhombic intermediate phases (noted ß' 1, ß'' 1, ß' 2 identical to those observed in the binary systems. X-ray experiments have showed that the phases ß' 1, ß'' 2 situated on the both sides of the middle intermediate phase ß' 1, are isostructural as in the binary systems. Les diagrammes de phases des systèmes binaires : n-docosane : n-tricosane (C22H46 : C23H48, n-tricosane : n-tétracosane (C23H48 : C24H50 et n-docosane : n-tétracosane (C22H46 : C24H50 ont été établis à partir d'analyses thermiques différentielles (ATD et structurales. Sur la base de ces résultats, ainsi que de l'examen aux rayons X de 41 mélanges ternaires, le diagramme de phases du ternaire (C22H46 : C23H48 : C24H50 à température ambiante est proposé. Ce travail a indiqué l'existence de domaines limités de solutions solides au voisinage des trois n-alcanes purs, ainsi que de trois régions de phases intermédiaires orthorhombiques (notées ß' 1, ß 1, ß' 2 identiques à celles observées avec les systèmes binaires. Les analyses aux rayons X ont montré que les phases ß' 1 et ß' 2 situées de part et d'autre de la phase médiane intermédiaire ß1 sont isostructurales, tout comme dans le cas des systèmes binaires.

Cu-catalyzed C(sp³)-H bond activation reaction for direct preparation of cycloallyl esters from cycloalkanes and aromatic aldehydes.

Science.gov (United States)

Zhao, Jincan; Fang, Hong; Han, Jianlin; Pan, Yi

2014-05-02

Cu-catalyzed dehydrogenation-olefination and esterification of C(sp(3))-H bonds of cycloalkanes with TBHP as an oxidant has been developed. The reaction involves four C-H bond activations and gives cycloallyl ester products directly from cycloalkanes and aromatic aldehydes.

(13)C-(15)N correlation via unsymmetrical indirect covariance NMR: application to vinblastine.

Science.gov (United States)

Martin, Gary E; Hilton, Bruce D; Blinov, Kirill A; Williams, Antony J

2007-12-01

Unsymmetrical indirect covariance processing methods allow the derivation of hyphenated 2D NMR data from the component 2D spectra, potentially circumventing the acquisition of the much lower sensitivity hyphenated 2D NMR experimental data. Calculation of HSQC-COSY and HSQC-NOESY spectra from GHSQC, COSY, and NOESY spectra, respectively, has been reported. The use of unsymmetrical indirect covariance processing has also been applied to the combination of (1)H- (13)C GHSQC and (1)H- (15)N long-range correlation data (GHMBC, IMPEACH, or CIGAR-HMBC). The application of unsymmetrical indirect covariance processing to spectra of vinblastine is now reported, specifically the algorithmic extraction of (13)C- (15)N correlations via the unsymmetrical indirect covariance processing of the combination of (1)H- (13)C GHSQC and long-range (1)H- (15)N GHMBC to produce the equivalent of a (13)C- (15)N HSQC-HMBC correlation spectrum. The elimination of artifact responses with aromatic solvent-induced shifts (ASIS) is shown in addition to a method of forecasting potential artifact responses through the indirect covariance processing of the GHSQC spectrum used in the unsymmetrical indirect covariance processing.

Muon capture by the 1p shell of 10B, 12C and 14N nuclei. Experiments and interpretation

International Nuclear Information System (INIS)

Moura Goncalves, A.C. de.

1980-12-01

The main elements necessary to treat weak interactions in a nucleus including the contributions of exchange meson currents are presented. The case of a transition between an initial (Z,A) nucleus and a final (Z-1,A) nucleus in a well defined bound state is treated. The form of the single body operator taking into account the nucleonic degrees of freedom (impulse approximation) is recalled. The construction of a two-body operator taking mesonic degrees of freedom into account is outlined. Measurements of partial capture rates in 10 B, 12 C and 14 N target nuclei leading to excited bound states of 10 Be, 12 B and 14 C residual nuclei are described. Results are given and comparisons made with the calculations performed, nuclear states being described by various wave functions. Measurements of the polarization of the 1 + ground state of 12 B after N capture in 12 C are briefly described. An attempt is made to interpret the 0 + 1 + transition occurring in the A = 12 triad. A convenient parametrization is obtained from the expression for these observable quantities as a function of the nuclear shape factors. This analysis enables a strict choice to be made from the available wavefunctions. It demonstrates that experimental data are well reproduced by the microscopy approach performed using the effective Sussex potential and single pion exchange currents. Finally, the hitherto unexplored domain of muon capture is tackled. A high energy transfer is involved in which the neutrino remains practically at rest. In this case, the vector part is not very important and the axial current time part contributes as much is the space part. The (μ - ,pn) reaction was used for exploratory measurements in this domain. Practical limits are determined [fr

Atmospheric histories and growth trends of C4F10, C5F12, C6F14, C7F16 and C8F18

Directory of Open Access Journals (Sweden)

R. F. Weiss

2012-05-01

Full Text Available Atmospheric observations and trends are presented for the high molecular weight perfluorocarbons (PFCs: decafluorobutane (C4F10, dodecafluoropentane (C5F12, tetradecafluorohexane (C6F14, hexadecafluoroheptane (C7F16 and octadecafluorooctane (C8F18. Their atmospheric histories are based on measurements of 36 Northern Hemisphere and 46 Southern Hemisphere archived air samples collected between 1973 to 2011 using the Advanced Global Atmospheric Gases Experiment (AGAGE "Medusa" preconcentration gas chromatography-mass spectrometry systems. A new calibration scale was prepared for each PFC, with estimated accuracies of 6.8% for C4F10, 7.8% for C5F12, 4.0% for C6F14, 6.6% for C7F16 and 7.9% for C8F18. Based on our observations the 2011 globally averaged dry air mole fractions of these heavy PFCs are: 0.17 parts-per-trillion (ppt, i.e., parts per 1012 for C4F10, 0.12 ppt for C5F12, 0.27 ppt for C6F14, 0.12 ppt for C7F16 and 0.09 ppt for C8F18. These atmospheric mole fractions combine to contribute to a global average radiative forcing of 0.35 mW m−2, which is 6% of the total anthropogenic PFC radiative forcing (Montzka and Reimann, 2011; Oram et al., 2012. The growth rates of the heavy perfluorocarbons were largest in the late 1990s peaking at 6.2 parts per quadrillion (ppq, i.e., parts per 1015 per year (yr for C4F10, at 5.0 ppq yr−1 for C5F12 and 16.6 ppq yr−1 for C6F14 and in the early 1990s for C7F16 at 4.7 ppq yr−1 and in the mid 1990s for C8F18 at 4.8 ppq yr−1. The 2011 globally averaged mean atmospheric growth rates of these PFCs are subsequently lower at 2.2 ppq yr−1 for C4F10, 1.4 ppq yr−1 for C5F12, 5.0 ppq yr−1 for C6F14, 3.4 ppq yr−1 for C7F16 and 0.9 ppq yr−1 for C8F18. The more recent slowdown in the growth rates suggests that emissions are declining as compared to the 1980s and 1990s.

Indirect Measurement of 15N(p,α)12C and 18O(p,α)15N. Applications to the AGB Star Nucleosynthesis

International Nuclear Information System (INIS)

La Cognata, M.; Spitaleri, C.; Cherubini, S.; Crucilla, V.; Gulino, M.; Lamia, L.; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Tumino, A.; Tribble, R.; Al-Abdullah, T.; Banu, A.; Fu, C.; Goldberg, V.; Mukhamedzhanov, A.; Tabacaru, G.; Trache, L.

2008-01-01

The Trojan Horse Method has been recently applied to the study of reactions involved in fluorine nucleosynthesis inside AGB stars. Fluorine abundance is important since it allows to constrain mixing models from the comparison of the observed fluorine abundances with the ones predicted by models. Anyway direct measurements of the cross section do not extend down to the Gamow peak, which is the astrophysically relevant energy region. In particular the study focuses on the 15 N(p,α) 12 C and the 18 O(p,α) 15 N reactions which can influence fluorine yield as they are part of 19 F production/destruction network

Electronic properties and bulk moduli of novel boron nitride polymorphs: hyperdiamond B12N12 and the simple cubic B24N24, B12N12 fulborenites

International Nuclear Information System (INIS)

Pokrivnyj, V.V.; Bekenev, V.L.

2006-01-01

Equation of states, energy band structure, electronic density of states, and bulk moduli of the boron nitride fulborenite crystals: B 12 N 12 with a diamond lattice and B 24 N 24 , B 12 N 12 with a simple cubic lattice have been calculated for the first time by FLAPW method. Calculated parameters of these compounds are as follows: equilibrium lattice parameter, the length of B-N bond, the number of atoms per conventional cell, density, bulk modulus, band gap. Hyperdiamond B 12 N 12 is shown to have the record bulk modulus B 0 = 658 GPa [ru

Elimination of the 12 C and 16 O in the elastic scattering of 14 C by polarized protons

International Nuclear Information System (INIS)

Avila A, O.L.; Ramirez T, J.J.; Murillo O, G.; Fernandez B, M.

1991-04-01

The study of the elastic scattering of 14 C for polarized protons it provides information on the nuclear structure of 15 N. In the Tandem accelerator of the Nuclear Center in collaboration with the University of Notre Dame is carrying out this study to energy between 5.0 and 9.0 MeV in steps of 10 keV. The measures of differential section and vectorial analyzer power are subjected to shift analysis of phase being able to determine the parameters of the excited levels of 15 N that are it angular momentum, parity, level width and elastic width. The details of this experiment are presented in the ACEL-9102 technical report while in this work it was discussed the way in that contributions of 12 C and 16 O are eliminated that are present as impurities in our target of 14 C. At small angles the elastic components of these impurities are shoveled with the elastic of 14 C. In the experiment carried out in the Nuclear Center were take measures of differential section for 6 angles; 35, 45, 55, 65, 145 and 165 using surface barrier detectors. It is observed that it exists shovels at 35, 45, 55 and 65 while at 145 and 165 the 12 C, the 14 C and the 16 O are totally separate. With the purpose of being able to subtract of the elastic of 14 C the proportion of 12 C, it was decided to bombard a target of 12 C leaving the same geometry that had been used to bombard 14 C. With this also carried out the reaction 12 C (p,p) 12 C between 5.0 and 9.0 MeV in steps of 50 keV. Starting from these spectra are the integration (yield) of the elastic of 12 C. (Author)

Naphtho[1,2-b:5,6-b']dithiophene-Based Conjugated Polymers for Fullerene-Free Inverted Polymer Solar Cells.

Science.gov (United States)

Jiang, Zhaoyan; Li, Huan; Wang, Zhen; Zhang, Jianqi; Zhang, Yajie; Lu, Kun; Wei, Zhixiang

2018-03-23

Three novel copolymers based on zigzag naphthodithiophene (zNDT) with different aromatic rings as π bridges and different core side substitutions are designed and synthesized (PzNDT-T-1,3-bis(4-(2-ethylhexyl)-thiophen-2-yl)-5,7-bis(2-ethylhexyl)benzo[1,2-c:4,5-c']-dithiophene-4,8-dione (BDD), PzNDT-TT-BDD, and PzNDTP-T-BDD, respectively). The 2D conjugation structure and molecular planarity of the polymers can be effectively altered through the modification of conjugated side chains and π-bridges. These alterations contribute to the variation in energy levels, light absorption capacity, and morphology compatibility of the polymers. When blended with the nonfullerene acceptor (2,2'-[(4,4,9,9-tetrahexyl-4,9-dihydro-sindaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)

1,2-HOIQO--A highly versatile 1,2-HOPO analog

Energy Technology Data Exchange (ETDEWEB)

Seitz, Michael; Pluth, Michael D.; Raymond, Kenneth N.

2006-08-07

A cyclic, bidentate hydroxamic acid binding unit based on an isoquinoline scaffold has been utilized for the synthesis of a hexadentate tripodal ligand based on the TREN backbone. This prototype for a new class of multidentate chelators forms mononuclear iron(III) complexes and one-dimensional coordination polymers with lanthanide(III) cations. The latter has been determined by single crystal X-ray analysis of the cerium species. The solid state structure in the monoclinic space group P2{sub 1}/c (C{sub 36}H{sub 34}CeN{sub 7}O{sub 11}, a = 12.341(2){angstrom}, b = 26.649(4){angstrom}, c = 10.621(2){angstrom}, {alpha} = {gamma} = 90{sup o}, {beta} = 96.753(3){sup o}, V = 3468.6(9) {angstrom}{sup 3}, Z = 4) exhibits a trigonal-dodecahedral environment around the cerium cation. The proof of concept for the versatility of the new scaffold has been shown by the modification of the crucial precursor 3-carboxyiso-coumarin through electrophilic aromatic substitutions to yield the corresponding chlorosulfonated and nitrated analogs.

K-n and K-p elastic scattering in K-d collisions from 1.2 to 2.2 GeV/c

International Nuclear Information System (INIS)

Declais, Y.; Duchon, J.; Louvel, M.; Patry, J.-P.; Seguinot, J.; Baillon, P.; Bruman, C.; Ferro-Luzzi, M.; Perreau, J.-M.; Ypsilantis, T.

1977-01-01

This report contains the detailed description of an experiment which has determined the differential cross section of the K - n→K - n elastic scattering reaction. The results are 12 angular distributions spanning the K - n c.m. energy interval from approximately 1.86 to approximately 2.32 GeV. The measurements have been performed at the CERN PS using a beam of negative kaons with momenta from 1.2 to 2.2 GeV/c incident on a liquid deuterium target. By means of electronic apparatus the process K - d→K - n psub(s) was identified and recorded; this process is basically the same as the K - n elastic reaction insofar as the spectator proton psub(s) has low momentum. The elastic reaction was derived from the above process by taking into account the Fermi motion of the target neutron and by introducing the appropriate corrections to compensate for the effects due to the composite nature of the neutron (double-scattering, final state interaction). These results, constituting the first extensive collection of data on the pure isospin 1 anti KN state have been used in conjunction with other data in a preliminary partial wave analysis of the anti KN elastic system over the c.m. energy range from 1.84 to 2.23 GeV. Mainly for testing purposes, a similar amount of data has been collected for the K - p elastic reaction also from K - d collisions (K - d→K - p nsub(s)). (Auth.)

Neutron scattering from 12C between 15.6 and 17.3 MeV

International Nuclear Information System (INIS)

Chen, Z.M.; Baird, K.; Howell, C.R.; Roberts, M.L.; Tornow, W.; Walter, R.L.

1993-01-01

The differential cross section σ(θ) for neutron elastic scattering from 12 C and for inelastic scattering from the 4.44 MeV state was measured at 15.57, 16.75 and 17.29 MeV. The σ(θ) data, together with published analysing power A y (θ) data, were analysed in the framework of the spherical optical model and in the coupled-channels formalism. It was concluded that the present 12 C(n,n) 12 C data and published data at higher energies appear to be well suited for determining properties of valence single-particle excitations in 11 C via an iterative-moment approach or a dispersive optical-model analysis. (author)

Kinetic energy spectrum and polarization of neutrons from the reaction 12C(p,n)X at 590 MeV

International Nuclear Information System (INIS)

Arnold, J.

1998-01-01

The kinetic energy spectrum and the polarization of the PSI neutron beam produced in the reaction 12 C(p,n)X at 0 with 590 MeV polarized protons were investigated. A strong energy dependence of the neutron beam polarization is observed which was not expected at the time the neutron beam was built. (orig.)

Nuclear molecules in the systems 12C+12C and 16O+16O

International Nuclear Information System (INIS)

Tiereth, W.

1986-01-01

For the two heavy ion systems 12 C+ 12 C and 16 O+ 16 O by means of scattering experiments studies on the phenomena of nuclear molecules were performed. For the 12 C+ 12 C system in the range of the Coulomb wall precision measurements of the elastic scattering were performed. In the two energy ranges of 5.5 ≤ E c.m. ≤ 6.65 MeV and 6.95 ≤ E c.m ≤ 7.375 MeV where the existence of many quasimolecular resonances is known in energy steps of ΔE c.m. = 25 keV angular distributions in the range 10 0 ≤ θ c.m. ≤ 90 0 with Δθ c.m. = 1 0 were measured. For several of the found quasimolecular resonances the spin and the carbon width could be uniquely determined. This was reached by a partial wave analysis of the obtained data. Supplemented were the measurements of the elastic scattering by measurements of the excitation function of the θ 0 exit channel of the reaction 12 ( 12 C, θ) 20 Ne in the energy range from 5.2 ≤ E c.m. ≤ 6.1 MeV. At some known resonances in the 16 O+ 16 O system in the energy range from 15.5 MeV to 18 MeV the spin and the elastic width of these structures could be determined. For this a constrained partial wave analysis on complete angular distributions of the elastic scattering (9 0 ≤ θ c.m. ≤ 90 0 ) which were measured in energy steps of ΔE c.m. = 50 keV was performed. In the 16 O+ 16 O system besides the proof for the existence of a nuclear glory scattering was given. (orig.) [de

Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions

Science.gov (United States)

Cheng, Chih-Hsien; Tzou, An-Jye; Chang, Jung-Hung; Chi, Yu-Chieh; Lin, Yung-Hsiang; Shih, Min-Hsiung; Lee, Chao-Kuei; Wu, Chih-I; Kuo, Hao-Chung; Chang, Chun-Yen; Lin, Gong-Ru

2016-01-01

The epitaxy of high-power gallium nitride (GaN) light-emitting diode (LED) on amorphous silicon carbide (a-SixC1−x) buffer is demonstrated. The a-SixC1−x buffers with different nonstoichiometric C/Si composition ratios are synthesized on SiO2/Si substrate by using a low-temperature plasma enhanced chemical vapor deposition. The GaN LEDs on different SixC1−x buffers exhibit different EL and C-V characteristics because of the extended strain induced interfacial defects. The EL power decays when increasing the Si content of SixC1−x buffer. The C-rich SixC1−x favors the GaN epitaxy and enables the strain relaxation to suppress the probability of Auger recombination. When the SixC1−x buffer changes from Si-rich to C-rich condition, the EL peak wavelengh shifts from 446 nm to 450 nm. Moreover, the uniform distribution contour of EL intensity spreads between the anode and the cathode because the traping density of the interfacial defect gradually reduces. In comparison with the GaN LED grown on Si-rich SixC1−x buffer, the device deposited on C-rich SixC1−x buffer shows a lower turn-on voltage, a higher output power, an external quantum efficiency, and an efficiency droop of 2.48 V, 106 mW, 42.3%, and 7%, respectively. PMID:26794268

2,6-Bis(2-hydroxyethyl-8b,8c-diphenylperhydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dithione

Directory of Open Access Journals (Sweden)

Zihua Wang

2009-06-01

Full Text Available In the title molecule, C24H28N6O2S2, the dihedral angle between the aromatic ring planes is 42.2 (1°. In the crystal structure, the hydroxy groups are involved in O—H...S hydrogen bonding, which links the molecules into corrugated layers propagating parallel to the bc plane.

The cross section measurement for the reactions of 48,46Ti(n,p) 48,46Sc, 50Ti(n, α)47Ca and 58Ni (n, 2n)57Ni, 58Ni(n,p)58m+gCo

International Nuclear Information System (INIS)

Yuan Junqian; Wang Yongchang; Kong Xiangzhong; Yang Jingkang

1992-01-01

The cross sections for the 50 Ti(n, α) 47 Ca, 46 Ti(n, p) 46 Sc, 48 Ti(n, p) 48 Sc and 58 Ni(n, 2n) 57 Ni, 58 Ni(n, p) 58m+g Co reactions have been measured by using the activation method relative to the cross sections of the 27 Al(n, α) 24 Na reaction in the neutron energy range of 13.50-14.81 MeV. The neutron energies were determined by the cross section ratios of the 90 Zr(n, 2n) 89m+g Zr and 93 Nb(n, 2n) 92m Nb reactions. The results obtained are compared with the published and to be published data of several authors

The C-12/C-13 abundance ratio in Comet Halley

International Nuclear Information System (INIS)

Wyckoff, S.; Lindholm, E.; Wehinger, P.A.; Peterson, B.A.; Zucconi, J.M.

1989-01-01

The individual (C-13)N rotational lines in Comet Halley are resolved using high-resolution spectra of the CN B2Sigma(+)-X2Sigma(+) (0,0) band. The observe C-12/C-13 abundance ratio excludes a site of origin for the comet near Uranus and Neptune and suggests a condensation environment quite distinct from other solar system bodies. Two theories are presented for the origin of Comet Halley. One theory suggest that the comet originated 4.5 Gyr ago in an inner Oort cloud at a heliocentric distance greater than 100 AU where chemical fractionation led to the C-13 enrichment in the CN parent molecule prior to condensation of the comet nucleus. According to the other, more plausible theory, the comet nucleus condensed relatively recently from the interstellar medium which has become enriches in C-13 and was subsequently gravitationally captured by the solar system. 107 refs

Comparison of aggregation behaviors between ionic liquid-type imidazolium gemini surfactant [C12-4-C12im]Br2 and its monomer [C12mim]Br on silicon wafer.

Science.gov (United States)

Ao, Mingqi; Xu, Guiying; Pang, Jinyu; Zhao, Taotao

2009-09-01

The aggregation of ionic liquid-type imidazolium gemini surfactant [C(12)-4-C(12)im]Br(2) on silicon wafer, which is compared with its monomer [C(12)mim]Br, have been studied. AFM morphology images and contact angle measurements suggest that the aggregations of [C(12)-4-C(12)im]Br(2) and [C(12)mim]Br on silicon wafer follow different mechanisms. Below the critical surface aggregation concentrations (CSAC), both surfactant molecules are adsorbed with their hydrophobic tails facing the air. But above the CSAC, [C(12)-4-C(12)im]Br(2) molecules finally form a bilayer structure with hydrophilic head groups facing the air, whereas [C(12)mim]Br molecules form a multilayer structure, and with increasing its concentration, the layer numbers increase with the hydrophobic chains and hydrophilic head groups facing the air by turns. Besides, the watery wettability of [C(12)-4-C(12)im]Br(2)-treated silica surface is lower than that of [C(12)mim]Br at the concentration of 5.0 cmc, and the infrared spectroscopy suggests that the poorer watery wettability of [C(12)-4-C(12)im]Br(2) may be relative to the less-ordered packing of methylene chains inside the aggregate. These different aggregation behaviors for the two surfactants ascribe to the different molecular structures and electrostatic interactions. This work would have certain theoretical guidance meaning on the modification of solid surface.

The Main Path to C, N, O Elements in Big Bang Nucleosynthesis

International Nuclear Information System (INIS)

Su-Qing, Hou; Kai-Su, Wu; Yong-Shou, Chen; Neng-Chuan, Shu; Zhi-Hong, Li

2010-01-01

The production of C, N, O elements in a standard big bang nucleosynthesis scenario is investigated. Using the up-to-date data of nuclear reactions in BBN, in particular the 8 Li (n,γ) 9 Li which has been measured in China Institute of Atomic Energy, a full nucleosynthesis network calculation of BBN is carried out. Our calculation results show that the abundance of 12 C is increased for an order of magnitude after addition of the reaction chain 8 Li(n,γ) 9 Li(α,n) 12 B(β) 12 C, which was neglected in previous studies. We find that this sequence provides the main channel to convert the light elements into C, N, O in standard BBN. (nuclear physics)

The formation of quasi-alicyclic rings in alkyl-aromatic compounds

Science.gov (United States)

Straka, Pavel; Buryan, Petr; Bičáková, Olga

2018-02-01

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.

Oracle 12c for dummies

CERN Document Server

Ruel, Chris

2013-01-01

Demystifying the power of the Oracle 12c database The Oracle database is the industry-leading relational database management system (RDMS) used from small companies to the world's largest enterprises alike for their most critical business and analytical processing. Oracle 12c includes industry leading enhancements to enable cloud computing and empowers users to manage both Big Data and traditional data structures faster and cheaper than ever before. Oracle 12c For Dummies is the perfect guide for a novice database administrator or an Oracle DBA who is new to Oracle 12c. The book covers what

Structure in the 12C+ 12C and 8Be+16O fission width distribution of 24Mg observed via the reaction 12C(16O,α)24Mg(→X+Y)

International Nuclear Information System (INIS)

Lazzarini, A.J.; Steadman, S.G.; Ledoux, R.J.; Sperduto, A.; Young, G.R.; Van Bibber, K.; Cosman, E.R.

1983-01-01

Prominent gross and intermediate width structures are observed in the 12 C+ 12 C, 12 C+ 12 C((2 + ), 1 C((2 + )+ 12 C((2 + ), 8 Be+ 16 O, and 8 Be+ 16 O + (3 - , O + ) decay channels following 24 Mg* population via the 12 C( 16 O,α) 24 Mg reaction at E/sub c.m./ = 33 MeV. Evidence that the 12 C( 16 O,α) 24 Mg reaction populates states in 24 Mg which are associated with 12 C+ 12 C resonances is presented in the form of correlation analyses between the α+ 12 C+ 12 C three-body spectra and previously measured 12 C+ 12 C elastic and inelastic excitation functions. Direct determination of 12 C+ 12 C widths from these measurements is obscured by a background of other strong transitions which appear to be present in the 12 C( 16 O,α) 24 Mg singles spectrum

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and Their Ions. 7; Phenazine, a Dual Substituted Polycyclic Aromatic Nitrogen Heterocycle

Science.gov (United States)

Mattioda, A. L.; Hudgins, D. M.; Bauschlicher, C. W., Jr.; Allamandola, L. J.

2004-01-01

The matrix-isolation technique has been employed to measure the mid-infrared spectra of phenazine (C12H8N2), a dual substituted Polycyclic Aromatic Nitrogen Heterocycle (PANH), in the neutral, cationic and anionic forms. The experimentally measured band frequencies and intensities are tabulated and compared with their calculated values as well as those of the non-substituted parent molecule, anthracene. The theoretical band positions and intensities were calculated using both the 3-31 G as well as the larger 6-3lG* Basis Sets. A comparison of the results can be found in the tables. The spectroscopic properties of phenazine and its cation are similar to those observed in mono-substituted PANHs, with one exception. The presence of a second nitrogen atom results in an additional enhancement of the cation's total integrated intensity, for the 1500-1000 cm(sup -1) (6.7 to 10 micron) region, over that observed for a mono-substituted PANH cation. The significance of this enhancement and the astrobiological implications of these results are discussed.

Synthesis and anti-HIV activity of novel N-1 side chain-modified analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT).

Science.gov (United States)

Pontikis, R; Benhida, R; Aubertin, A M; Grierson, D S; Monneret, C

1997-06-06

A series of 33 N-1 side chain-modified analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (1, HEPT) were synthesized and evaluated for their anti-HIV-1 activity. In particular, the influence of substitution of the terminal hydroxy group of the acyclic structure of HEPT and the structural rigidity of this side chain were investigated. Halo (7, 8), azido (9), and amino (10-15) derivatives were synthesized from HEPT via the p-tosylate derivative 6. Acylation of the primary amine 15 afforded the amido analogs 16-20. The diaryl derivatives 26-29 were prepared by reaction of HEPT, or of the 6-(2-pyridylthio) analog 23, with diaryl disulfides in the presence of tri-n-butylphosphine. Compounds 39-41, in which the N-1 side chain is rigidified by incorporation of an E-configured double bond, were obtained by palladium(0)-catalyzed coupling of several different 6-(arylthio)uracil derivatives (37, 38) with allyl acetates 33. Compounds 13, 40a,c,d,f, and 41, incorporating an aromatic ring at the end of the acyclic side chain, were found to be more potent than the known diphenyl-substituted HEPT analog BPT (2), two of them, 40c,d, being 10-fold more active.

Dielectron production in {sup 12}C+{sup 12}C collisions at 1 GeV per nucleon; Dielektronenproduktion in {sup 12}C+{sup 12}C Kollisionen bei 1 GeV pro Nukleon

Energy Technology Data Exchange (ETDEWEB)

Pachmayer, Yvonne C.

2008-08-22

This thesis contains the experimental results on dielectron production in {sup 12}C+{sup 12}C collisions at 1 GeV/u recorded with HADES. Within this work, the analysis is demonstrated, showing that leptons are efficiently reconstructed and hadrons very well discriminated. The described pair analysis shows that the combinatorial background is successfully reduced and the amount of true electron-positron pairs is not decreased. After subtracting the combinatorial background, the efficiency-corrected and normalized invariant-mass, transverse momentum and rapidity distributions of the dileptons are investigated. In the invariant-mass region 0.2-0.6 GeV/c{sup 2} the measured pair yield shows a strong excess above the contribution expected from hadron decays after freeze-out according to predictions. Together with the results obtained in {sup 12}C+{sup 12}C at 2 GeV/u it becomes evident that the overshoot of the data increases with decreasing beam energy. A detailed analysis shows that the beam energy dependence of the excess yield, i.e. the pair yield above the known eta contribution, integrated over the 0.15-0.5 GeV/c{sup 2} mass range, scales like pion production. (orig.)

Production of alkyl-aromatics from light oxygenates over zeolite catalysts for bio-oil refining

Science.gov (United States)

Hoang, Trung Q.

Upgrading of light oxygenates derived from biomass conversion, such as propanal and glycerol, to more valuable aromatics for biofuels has been demonstrated on zeolite catalysts. Aromatics with a high ratio of C 9/(C8+C7) and little benzene are produced at much higher yield from oxygenates than from olefins at mild conditions over HZSM-5. It is proposed that C9 aromatics are predominantly produced via acid-catalyzed aldol condensation. This reaction pathway is different from the pathway of propylene and other hydrocarbon aromatization that occurs via a hydrocarbon pool at more severe conditions with major aromatic products C6 and C7. In fact, investigation on the effect of crystallite size HZSM-5 has shown a higher ratio of C9/(C8+C 7) aromatics on small crystallite. This is due to faster removal of products from the shorter diffusion path length. As a result, a longer catalyst lifetime, less isomerization, and less cracking were observed on small crystallites. Beside crystallite size, pore geometry of zeolites was also found to significantly affect aromatic production for both conversion of propanal and glycerol. It is shown that the structure of the HZSM-22, with a one-dimensional and narrower channel system, restricts the formation of aromatics. In contrast, a higher yield of aromatic products is observed over HZSM-5 with its three-dimensional channel system. By increasing channel dimension and connectivity of the channels, increasing catalyst activity was also observed due to more accessible acid sites. It was also found that glycerol is highly active for dehydration on zeolites to produce high yields of acrolein (propenal), a high value chemical. To maximize aromatics from glycerol conversion, HZSM-5 and HY were found to be effective. A two-bed reactor of Pd/ZnO and HZSM-5 was used to first deoxygenate/hydrogenate glycerol over Pd/ZnO to intermediate oxygenates that can further aromatize on HZSM-5. The end results are very promising with significant improvement

The 12C/ 13C isotopic ratio in Titan hydrocarbons from Cassini/CIRS infrared spectra

Science.gov (United States)

Nixon, C. A.; Achterberg, R. K.; Vinatier, S.; Bézard, B.; Coustenis, A.; Irwin, P. G. J.; Teanby, N. A.; de Kok, R.; Romani, P. N.; Jennings, D. E.; Bjoraker, G. L.; Flasar, F. M.

2008-06-01

We have analyzed infrared spectra of Titan recorded by the Cassini Composite Infrared Spectrometer (CIRS) to measure the isotopic ratio 12C/ 13C in each of three chemical species in Titan's stratosphere: CH 4, C 2H 2 and C 2H 6. This is the first measurement of 12C/ 13C in any C 2 molecule on Titan, and the first measurement of 12CH 4/ 13CH 4 (non-deuterated) on Titan by remote sensing. Our spectra cover five widely-spaced latitudes, 65° S to 71° N and we have searched for both latitude variability of 12C/ 13C within a given species, and also for differences between the 12C/ 13C in the three gases. For CH 4 alone, we find C12/C13=76.6±2.7 (1- σ), essentially in agreement with the 12CH 4/ 13CH 4 measured by the Huygens Gas Chromatograph/Mass Spectrometer instrument (GCMS) [Niemann, H.B., and 17 colleagues, 2005. Nature 438, 779-784]: 82.3±1.0, and also with measured values in H 13CN and 13CH 3D by CIRS at lower precision [Bézard, B., Nixon, C., Kleiner, I., Jennings, D., 2007. Icarus 191, 397-400; Vinatier, S., Bézard, B., Nixon, C., 2007. Icarus 191, 712-721]. For the C 2 species, we find C12/C13=84.8±3.2 in C 2H 2 and 89.8±7.3 in C 2H 6, a possible trend of increasingly value with molecular mass, although these values are both compatible with the Huygens GCMS value to within error bars. There are no convincing trends in latitude. Combining all fifteen measurements, we obtain a value of C12/C13=80.8±2.0, also compatible with GCMS. Therefore, the evidence is mounting that 12C/ 13C is some 8% lower on Titan than on the Earth (88.9, inorganic standard), and lower than typical for the outer planets ( 88±7 [Sada, P.V., McCabe, G.H., Bjoraker, G.L., Jennings, D.E., Reuter, D.C., 1996. Astrophys. J. 472, 903-907]). There is no current model for this enrichment, and we discuss several mechanisms that may be at work.

Degradation of aromatic compounds in plants grown under aseptic conditions

Energy Technology Data Exchange (ETDEWEB)

Mithaishvili, T.; Ugrekhelidze, D.; Tsereteli, B.; Sadunishvili, T.; Kvesitadze, G. [Durmishidze Inst. of Biochemistry and Biotechnology, Academy of Sciences of Georgia, Tbilisi (Georgia); Scalla, R. [Lab. des Xenobiotiques, INRA, Toulouse (France)

2005-02-01

The aim of the work is to investigate the ability of higher plants to absorb and detoxify environmental pollutants - aromatic compounds via aromatic ring cleavage. Transformation of {sup 14}C specifically labelled benzene derivatives, [1-6-{sup 14}C]-nitrobenzene, [1-6-{sup 14}C]-aniline, [1-{sup 14}C]- and [7-{sup 14}C]-benzoic acid, in axenic seedlings of maize (Zea mays L.), kidney bean (Phaseolus vulgaris L.), pea (Pisum sativum L.) and pumpkin (Cucurbita pepo L.) were studied. After penetration in plants, the above xenobiotics are transformed by oxidative or reductive reactions, conjugation with cell endogenous compounds, and binding to biopolymers. The initial stage of oxidative degradation consists in hydroxylation reactions. The aromatic ring can then be cleaved and degraded into organic acids of the Krebs cycle. Ring cleavage is accompanied by {sup 14}CO{sub 2} evolution. Aromatic ring cleavage in plants has thus been demonstrated for different xenobiotics carrying different substitutions on their benzene ring. Conjugation with low molecular peptides is the main pathway of aromatic xenobiotics detoxification. Peptide conjugates are formed both by the initial xenobiotics (except nitrobenzene) and by intermediate transformation products. The chemical nature of the radioactive fragment and the amino acid composition of peptides participating in conjugation were identified. (orig.)

Pesticides labelled with 14C. Pt. 4: Synthesis of Diuron and Linuron in various positions

International Nuclear Information System (INIS)

Volford, J.; Koltai, E.; Kling, F.; Volford, A.

1996-01-01

Diuron and Linuron, two herbicides, with very similar structures were labelled in their aromatic ring with 14 C. The yields of the synthesis (starting from Ba 14 CO 3 ) was 8.5% and 4.8%, respectively. Linuron was also labelled with 14 C in its urea group with 33% yield. (author)

Evaluation of neutron nuclear data for 12C

International Nuclear Information System (INIS)

Shibata, Keiichi

1983-12-01

Neutron nuclear data of 12 C have been evaluated for JENDL-3 in the energy range from 10 -5 eV to 20 MeV. Evaluated quantities are the total, elastic and inelastic scattering, radiative capture, photon-production, (n,p), (n,d) and (n,α) reaction cross sections and the angular or energy distribution of neutrons and photons. The total cross section below the threshold energy of the inelastic scattering has been calculated on the basis of the R-matrix theory. Three discrete levels have been taken into account for the inelastic scattering. (author)

The beta-decay of 48Mn: improved data on Gamow-Teller quenching

International Nuclear Information System (INIS)

Szerypo, J.; Bazin, D.; Brown, B.A.

1991-01-01

Beta-decay studies of very proton-rich nuclides allow to investigate the phenomenon of quenching of Gamow-Teller transitions. A presentation of the experimental techniques is followed by the discussion of preliminray results of the measurements in comparison to shell-model calculations. A corresponding reinvestigation is discussed. A mass-separated 48 Mn beam was used from 12 C( 40 Ca,p3n) reactions. The 48 Mn decay spectroscopy was performed simultaneously in two beam lines of the mass separator. (G.P.) 13 refs.; 2 figs

Crystal structure of chlorido(2-{1-[2-(4-chlorophenylhydrazin-1-ylidene-κN]ethyl}pyridine-κN(η5-pentamethylcyclopentadienylrhodium(III chloride

Directory of Open Access Journals (Sweden)

Neelakandan Devika

2015-03-01

Full Text Available The cation of the title compound, [Rh(η5-C5Me5Cl(C13H12ClN3]Cl, adopts a typical piano-stool geometry. The complex is chiral at the metal and crystallizes as a racemate. Upon coordination, the hydrazinylidenepyridine ligand is non-planar, an angle of 54.42 (7° being observed between the pyridine ring and the aromatic ring of the [2-(4-chlorophenylhydrazin-1-ylidene]ethyl group. In the crystal, a weak interionic N—H...Cl hydrogen bond is observed.

Dicty_cDB: Contig-U02803-1 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available nF01.b1.ab1 PiTA - Interaction library bet... 44 6.5 1 ( EU795129 ) Uncultured Rickettsiales bacterium ANIW_...rary ... 58 4e-04 1 ( CX089074 ) EHADR85TR E. histolytica Normalized cDNA library ....ata genomic DNA chromosome 4. 46 0.21 2 ( DX429070 ) BE1082_N01_F IASMA L1 HindIII BAC library Viti... clone CH242-143I8, genomic sur... 38 0.26 2 ( DU785603 ) APKH1203.b2 HF770_12-21-03 uncultured marine mic...M... 48 0.41 1 ( DX017844 ) KBrB010H03F KBrB, Brassica rapa BamHI BAC library... 48 0.41 1 ( DU836813 ) MUGQ

Degradation of Paracetamol by Photolysis Using C-N-codoped TiO2

Directory of Open Access Journals (Sweden)

Vanny Yulia Safitri

2017-11-01

Full Text Available Paracetamol is generally used as analgesic and antipyretic drugs. Contamination paracetamol in the environment can occur because of waste material disposal from production site and immediate disposal of household that cause water pollution. Paracetamol is degraded by photolysis method under irradiation 10 watt UV-light (λ=365 nm, visible-light (Philips LED 13 watt 1400 lux and solar-light with and without addition C-N-codoped TiO2catalyst. The solution is analyzed by UV-Vis spectrophotometer at λ 200-400 nm. Optimum weight of C-N-codoped TiO2 catalyst obtained is 20 mg under UV-light photolysis. Paracetamol 4 mg/L is degraded 45.48% after 120 minutes under UV-light irradiation without catalyst, and increases to be 69.31% by using 20 mg catalyst. While degradation percentage of paracetamol is 16.96 % without catalyst, the percentage increases to be 34.29% after using 20 mg catalyst for 120 minutes photolysis under visible-light. Degradation of paracetamol by solar light achieves only 12.27% in absance of catalyst for 120 minutes irradiation, but it increases significantly until 70.39% in presence of 20 mg catalyst.

[μ2-trans-1,2-Bis(pyridin-4-ylethene-κ2N:N′]bis{[1,2-bis(pyridin-4-ylethene-κN]bis[N-(2-hydroxyethyl-N-isopropyldithiocarbamato-κ2S,S′]cadmium} acetonitrile tetrasolvate: crystal structure and Hirshfeld surface analysis

Directory of Open Access Journals (Sweden)

Mukesh M. Jotani

2016-08-01

Full Text Available The asymmetric unit of the title compound, [Cd2(C12H10N23(C6H12NOS24]·4C2H3N, comprises a CdII atom, two dithiocarbamate (dtc anions, one and a half trans-1,2-dipyridin-4-ylethylene (bpe molecules and two acetonitrile solvent molecules. The full binuclear complex is generated by the application of a centre of inversion. The dtc ligands are chelating, one bpe molecule coordinates in a monodentate mode while the other is bidentate bridging. The resulting cis-N2S4 coordination geometry is based on an octahedron. Supramolecular layers, sustained by hydroxy-O—H...O(hydroxy and hydroxy-O—H...N(bpe hydrogen bonding, interpenetrate to form a three-dimensional architecture; voids in this arrangement are occupied by the acetonitrile solvent molecules. Additional intermolecular interactions falling within the specified framework have been analysed by Hirshfeld surface analysis, including π–π interactions.

Human Microdosing with Carcinogenic Polycyclic Aromatic Hydrocarbons: In Vivo Pharmacokinetics of Dibenzo[ def,p ]chrysene and Metabolites by UPLC Accelerator Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Madeen, Erin P.; Ognibene, Ted J.; Corley, Richard A.; McQuistan, Tammie J.; Henderson, Marilyn C.; Baird, William M.; Bench, Graham; Turteltaub, Ken W.; Williams, David E.

2016-10-17

Metabolism is a key health risk factor following exposures to pro-carcinogenic polycyclic aromatic hydrocarbons (PAHs) such as dibenzo[def,p]chrysene (DBC), an IARC classified 2A probable human carcinogen. Human exposure to PAHs occurs primarily from the diet in non-smokers. However, little data is available on the metabolism and pharmacokinetics in humans of high molecular weight PAHs (≥4 aromatic rings), including DBC. We previously determined the pharmacokinetics of DBC in human volunteers orally administered a micro-dose (29 ng; 5 nCi) of [14C]-DBC by accelerator mass spectrometry (AMS) analysis of total [14C] in plasma and urine. In the current study, we utilized a novel “moving wire” interface between ultra-performance liquid chromatography (UPLC) and AMS to detect and quantify parent DBC and its major metabolites. The major [14C] product identified in plasma was unmetabolized [14C]-DBC itself, (Cmax= 18.5 ± 15.9 fg/mL, Tmax= 2.1 ± 1.0 h), whereas the major metabolite was identified as [14C]-(+/-)-DBC-11,12-diol (Cmax= 2.5 ± 1.3 fg/mL, Tmax= 1.8 h). Several minor species of [14C]-DBC metabolites were also detected for which no reference standards were available. Free and conjugated metabolites were detected in urine with [14C]-(+/-)-DBC-11,12,13,14-tetraol isomers identified as the major metabolites, 56.3% of which were conjugated (Cmax= 35.8 ± 23.0 pg/pool, Tmax= 6-12 h pool). [14C]-DBC-11,12-diol, of which 97.5% was conjugated, was also identified in urine (Cmax= 29.4 ± 11.6 pg/pool, Tmax= 6-12 h pool). Parent [14C]-DBC was not detected in urine. This is the first dataset to assess metabolite profiles and associated pharmacokinetics of a carcinogenic PAH in human volunteers at an environmentally relevant dose, providing the data necessary for translation of high dose animal models to humans for translation of environmental health risk assessment.

Ligand-Controlled Chemoselective C(acyl)–O Bond vs C(aryl)–C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)–C(sp3) Cross-Couplings

KAUST Repository

Chatupheeraphat, Adisak

2018-02-20

A ligand-controlled and site-selective nickel catalyzed Suzuki-Miyaura cross-coupling reaction with aromatic esters and alkyl organoboron reagents as coupling partners was developed. This methodology provides a facile route for C(sp2)-C(sp3) bond formation in a straightforward fashion by successful suppression of the undesired β-hydride elimination process. By simply switching the phosphorus ligand, the ester substrates are converted into the alkylated arenes and ketone products, respectively. The utility of this newly developed protocol was demonstrated by its wide substrate scope, broad functional group tolerance and application in the synthesis of key intermediates for the synthesis of bioactive compounds. DFT studies on the oxidative addition step helped rationalizing this intriguing reaction chemoselectivity: whereas nickel complexes with bidentate ligands favor the C(aryl)-C bond cleavage in the oxidative addition step leading to the alkylated product via a decarbonylative process, nickel complexes with monodentate phosphorus ligands favor activation of the C(acyl)-O bond, which later generates the ketone product.

C1-2 arthrography

Energy Technology Data Exchange (ETDEWEB)

Chevrot, A [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Cermakova, E [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Vallee, C [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Chancelier, M D [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Chemla, N [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Rousselin, B [Service de Radiologie B, Hopital Cochin, 75 - Paris (France); Langer-Cherbit, A [Service de Radiologie B, Hopital Cochin, 75 - Paris (France)

1995-08-01

One hundred patients with the following conditions were studied: cervical pain or neuralgia without radiographic changes, osteoarthritis, rheumatoid arthritis, ankylosing spondylarthritis and diverse conditions. The technique consists of lateral puncture of the posterior aspect of the C1-2 joint with a 20-gauge needle under fluoroscopic control, arthrography using 1 ml contrast medium, and a 1-ml long-acting steroid injection subsequently. The articular cavity has an anterior and a posterior recess. Sometimes the posterior recess is large. In 18% of cases the contralateral joint also opacifies. C1-2 arthrography appears to be an efficient and safe technique for the treatment of upper cervical pain due to C1-2 articular disorders. (orig.)

C1-2 arthrography

International Nuclear Information System (INIS)

Chevrot, A.; Cermakova, E.; Vallee, C.; Chancelier, M.D.; Chemla, N.; Rousselin, B.; Langer-Cherbit, A.

1995-01-01

One hundred patients with the following conditions were studied: cervical pain or neuralgia without radiographic changes, osteoarthritis, rheumatoid arthritis, ankylosing spondylarthritis and diverse conditions. The technique consists of lateral puncture of the posterior aspect of the C1-2 joint with a 20-gauge needle under fluoroscopic control, arthrography using 1 ml contrast medium, and a 1-ml long-acting steroid injection subsequently. The articular cavity has an anterior and a posterior recess. Sometimes the posterior recess is large. In 18% of cases the contralateral joint also opacifies. C1-2 arthrography appears to be an efficient and safe technique for the treatment of upper cervical pain due to C1-2 articular disorders. (orig.)

Critical effects of alkyl chain length on fibril structures in benzene-trans(RR)- or (SS)-N,N'-alkanoyl-1,2-diaminocyclohexane gels.

Science.gov (United States)

Sato, Hisako; Nakae, Takahiro; Morimoto, Kazuya; Tamura, Kenji

2012-02-28

Vibrational circular dichroism (VCD) spectra were recorded on benzene-d(6) gels formed by chiral low molecular mass gelators (LMGs), trans(RR)- or trans(SS)-N,N'-alkanoyl-1,2-diaminocyclohexane (denoted by RR-C(n) or SS-C(n), respectively; n = the number of carbon atoms in an introduced alkanoyl group). Attention was focused on the effects of alkyl chain length on the structures of the gels. When n was changed from 6 to 12, the signs of the coupled peaks around 1550 cm(-1) in the VCD spectra, which were assigned to the symmetric and asymmetric C=O stretching vibrations from the higher to lower wavenumber, respectively, critically depended on the alkyl chain length. In the case of RR-C(n), for example, the signs of the couplet were plus and minus for n = 8, 9, 10 and 12, while the signs of the same couplet were reversed for n = 6 and 7. The conformations of LMGs in fibrils were determined by comparing the observed IR and VCD spectra with those calculated for a monomeric molecule. The observed reversal of signs in the C=O couplet was rationalized in terms of the different modes of hydrogen bonding. In the case of C(8), C(9), C(10) and C(12), gelator molecules were stacked with their cyclohexyl rings in parallel, forming double anti-parallel chains of intermolecular hydrogen bonds using two pairs of >NH and >C=O groups. In case of C(6) and C(7), gelator molecules were stacked through a single chain of intermolecular hydrogen bonds using a pair of >NH and >C=O groups. The remaining pair of >NH and >C=O groups formed an intramolecular hydrogen bond.

Conversion of no-carrier-added [11C]carbon dioxide to [11C]carbon monoxide on molybdenum for the synthesis of 11C-labelled aromatic ketones

International Nuclear Information System (INIS)

Zeisler, S.K.; Nader, M.; Theobald, A.; Oberdorfer, F.

1997-01-01

A new method for the efficient conversion of no-carrier-added [ 11 C]carbon dioxide into [ 11 C]carbon monoxide is described. [ 11 C]Carbon dioxide produced by proton bombardment of ultra high purity nitrogen is pre-concentrated in a cryo trap and then passed through a quartz tube filled with a mesh of thin molybdenum wire heated to 850 o C. [ 11 C]Carbon dioxide readily reacts with molybdenum to form [ 11 C]carbon monoxide and molybdenum(IV) oxide. The latter also reduces carbon dioxide to carbon monoxide and helps improve the performance of the converter. [ 11 C]Carbon monoxide is purified from remaining [ 11 C]carbon dioxide and collected in a small silica trap from which it is eluted into a reaction mixture for the palladium-mediated synthesis of a 11 C-labelled aromatic ketone. Radiochemical yields of up to 81% (decay-corrected) for [ 11 C]carbon monoxide were obtained. Radiochemical purity and specific radioactivity of both [ 11 C]carbon monoxide and the 11 C-labelled ketone are sufficient for nuclear medical studies with PET. (Author)

Non-observation of 12C cluster decay of 114Ba

International Nuclear Information System (INIS)

Guglielmetti, A.; Bonetti, R.; Poli, G.; Collatz, R.; Hu, Z.; Kirchner, R.; Roeckl, E.; Gunn, N.; Price, P.B.; Weaver, B.A.; Westphal, A.; California Univ., Berkeley, CA; Szerypo, J.

1997-10-01

By means of the on-line mass separator at Gesellschaft fuer Schwerionenforschung, Darmstadt, we produced 114 Ba through the 58 Ni( 58 Ni,2n) reaction, separated it as a 114 Ba 19 F + beam, and implanted it into a stopper foil positioned in the center of an array of track detectors, which were used to search for 12 C radioactivity of 114 Ba. A total number of (5.4±1.7).10 4 114 Ba atoms were implanted. No 12 C event was found after a total exposure time of 116 hours, corresponding to a 58 Ni beam dose of 1.3.10 17 . The resulting upper limit of 3.4.10 -5 (84% c. 1.) for the branching ratio for 12 C decay of 114 Ba is considerably lower than the limits obtained in previous experiments, which represents an inconsistency at levels of more than 90%. A semiempirical estimate of 19.3 MeV for the upper limit of the Q-value for 12 C decay of 114 Ba is derived. (orig.)

Systematic study of multi-nucleon transfer reactions for 12C + 58Ni and 12C + 56Fe systems at ELab(12C) = 45 and 60 MeV

International Nuclear Information System (INIS)

Roy, B.J.; Jha, V.; Biswas, D.C.; Parmar, A.; Mohanty, Biraja; Oswal, M.; Jhingan, Akhil; Nandi, T.

2013-01-01

With a motivation to understand the reaction mechanism aspects, systematic study of multi-nucleon transfer in different projectile + target combinations has been made. Data taken at the BARC-TIFR Pelletron - LINAC facility, Mumbai for the systems 18 O+ 206 Pb and 18 O+ 12 C both studied at an incident energy of E( 18 O) = 140.4 MeV are reported in different communications to this proceedings. The present communication reports the measurements for 58 Ni( 12 C, x) and 56 Fe( 12 C, x) at incident 12 C energies of E( 12 C) = 45 and 60 MeV carried out at the pelletron accelerator facility, IUAC, Delhi

Neutron scattering from [sup 12]C between 15. 6 and 17. 3 MeV

Energy Technology Data Exchange (ETDEWEB)

Chen, Z.M.; Baird, K.; Howell, C.R.; Roberts, M.L.; Tornow, W.; Walter, R.L. (Duke Univ., Durham, NC (United States). Dept. of Physics Triangle Universities Nuclear Lab., Durham, NC (United States))

1993-06-01

The differential cross section [sigma]([theta]) for neutron elastic scattering from [sup 12]C and for inelastic scattering from the 4.44 MeV state was measured at 15.57, 16.75 and 17.29 MeV. The [sigma]([theta]) data, together with published analysing power A[sub y]([theta]) data, were analysed in the framework of the spherical optical model and in the coupled-channels formalism. It was concluded that the present [sup 12]C(n,n)[sup 12]C data and published data at higher energies appear to be well suited for determining properties of valence single-particle excitations in [sup 11]C via an iterative-moment approach or a dispersive optical-model analysis. (author).

Calculation of astrophysical S-factor and reaction rate in 12C(p, γ)13N reaction

Science.gov (United States)

Moghadasi, A.; Sadeghi, H.; Pourimani, R.

2018-02-01

The 12C(p, γ)13N reaction is the first process in the CNO cycle. Also it is a source of low-energy solar neutrinos in various neutrino experiments. Therefore, it is of high interest to gain data of the astrophysical S-factor in low energies. By applying Faddeev's method, we calculated wave functions for the bound state of 13N. Then the cross sections for resonance and non-resonance were calculated through using Breit-Wigner and direct capture cross section formulae, respectively. After that, we calculated the total S-factor and compared it with previous experimental data, revealing a good agreement altogether. Then, we extrapolated the S-factor in zero energy and the result was 1.32 ± 0.19 (keV.b). In the end, we calculated reaction rate and compared it with NACRE data.

Morphometry and granulosa cells number of preantral ovarian follicles from bovine (“Bos indicus” preserved at 4ºC in saline solution for different periods of time Morfometria e número de células da granulosa de folículos ovarianos pré-antrais de bovino ("Bos indicus" preservados a 4ºC em solução salina por diferentes períodos de tempo

Directory of Open Access Journals (Sweden)

Hélder Silva Luna

2008-04-01

Full Text Available The present study had the objective to evaluate the effect of cooling at 4 ºC, at different periods of time, in the morphometry and number of granulosa cells of preantral ovarian follicles of bovines. Ovaries were gotten from slaughterhouse, divided in 4 parts and distributed in 4 groups: control (without cooling and groups cooled for 12, 24 and 48 h in saline solution (NaCl 0.9% at 4 ºC. After treatment, samples were fixed in Carnoy and forwarded to classic histology techniques. The follicles were analyzed with optic and ocular microscope with micrometric scale. Total of 340 follicles were analyzed, which 242 were primordial and 98 primary. Results indicated that the primordial and primary follicles when cooled in saline solution at 4 ºC did not present variation in oocyte and diameter and amount of cells of the granulosa when comparing the control group to 12, 24 and 48 h groups (P > 0.05. In conclusion, the temperature at 4 ºC does not influence the morphometry of the follicles and the amount of the granulosa cells.O presente trabalho teve como objetivo avaliar o efeito do resfriamento a 4 ºC, em diferentes períodos de tempo, na morfometria e número de células da granulosa de folículos pré-antrais de ovário bovino. Os ovários foram obtidos em abatedouro, divididos em 4 partes e distribuídos em 4 grupos: controle (sem resfriamento e grupos resfriados por 12, 24 e 48 h em solução salina (NaCl a 0,9% a 4 ºC. Após tratamento, as amostras foram fixadas em Carnoy e encaminhadas para rotina histológica clássica. Para análise folicular, utilizou-se microscópio óptico e ocular com escala micrométrica. Foram analisados um total de 340 folículos, sendo 242 primordiais e 98 primários. Os resultados obtidos indicam que os folículos primordiais e primários, quando resfriados em solução salina a 4 ºC, não apresentam variação em sua morfometria e quantidade de células da granulosa, quando comparado o grupo controle com

Metal-ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand

NARCIS (Netherlands)

Eijsink, Linda E; Perdriau, Sébastien C P; de Vries, Johannes G; Otten, Edwin

2016-01-01

The pincer complex (PNN)RuH(CO), with a de-aromatized pyridine in the ligand backbone, is shown to react with nitriles in a metal-ligand cooperative manner. This leads to the formation of a series of complexes with new Ru-N(nitrile) and C(ligand)-C(nitrile) bonds. The initial nitrile cycloaddition

ω production in the reaction π-p → π+π-π0 n at 8 and 12 GeV/c

International Nuclear Information System (INIS)

Dowell, J.D.; Garvey, J.; Jobes, M.; Kenyon, I.R.; Mawson, J.; McMahon, T.; Corbett, I.F.; Dagan, S.; Esterling, R.J.; Jane, M.R.; Lipman, N.H.; Litchfield, P.J.; Sumorok, K.C.T.O.; Bellamy, E.H.; Green, M.G.; Lister, J.B.; Lister, J.R.; March, P.V.; Robertson, A.R.; Stacey, B.J.; Strong, J.A.; Thomas, D.H.

1975-12-01

The reaction of π - p → ω n has been studied at 8 and 12 GeV/c incident momenta with the CERN Omega spectrometer using a neutron time of flight trigger. The differential cross sections and the ω decay density matrix elements are presented as functions of the momentum transfer squared (-t) in the range 0.02 to 0.80 GeV 2 . The data are used to evaluate the intercept and slope of both the natural and unnatural parity exchange trajectories. Regge exchange amplitude factorisation tests involving the reaction πN → ωN are investigated. (author)

$\\omega$ production in the reaction $\\pi^{-}p \\rightarrow \\pi^{+}\\pi^{-}\\pi^{0}n$ at 8 and 12 GeV/c

CERN Document Server

Dowell, John D; Bar-Nir, I; Bellamy, E H; Corbett, I F; Dagan, S; Esterling, R J; Garvey, J; Gnat, Y; Green, M G; Grunhaus, Jacob; Jane, M R; Jobes, M; Kenyon, I R; Lipman, Norman H; Lister, J B; Lister, J R; Litchfield, P J; March, P V; Mawson, J; McMahon, T; Robertson, Alan R; Stacey, B J; Strong, J A; Sumorok, K; Thomas, D H

1976-01-01

The reaction pi /sup -/p to omega n has been studied at 8 and 12 GeV/c incident momenta with the CERN Omega spectrometer using a neutron time of flight trigger. The differential cross sections and the omega - decay density matrix elements are presented as functions of the momentum transfer squared -t in the range of 0.02 to 0.80 GeV/sup 2/. The data are used to evaluate the intercept and slope of both the natural and unnatural parity exchange trajectories. Regge exchange amplitude factorisation tests involving the reaction pi N to omega N are investigated. (32 refs).

(μ-trans-1,2-Di-4-pyridylethylene-κ2N:N′bis[bis(N,N-diisopropyldithiocarbamato-κ2S,S′zinc(II

Directory of Open Access Journals (Sweden)

Hadi D. Arman

2009-11-01

Full Text Available The dinuclear title compound, [Zn2(C7H14NS24(C12H10N2], is centrosymmetric about the central C=C bond. The five-coordinate Zn atom is bonded to two asymmetrically chelating dithiocarbamate ligands and a pyridine N atom to define an NS4 coordination geometry tending towards a square pyramid, with the N atom in the apical site. In the crystal structure, C—H...S contacts lead to supramolecular chains.

Partial inelasticity coefficients of negative pions in p, d, α, 12C + 12C and p, 12C + 181Ta collisions at 4.2 GeV/c per nucleon

International Nuclear Information System (INIS)

Olimov, K.K.; Olimov, K.; Gulamov, K.G.; Olimov, A.K.; Lutpullaev, S.L.; Yuldashev, B.S.; Haseeb, M.Q.

2015-01-01

The partial inelasticity coefficients of the negative pions were determined in minimum bias p, d, α, 12 C + 12 C and p, 12 C + 18 Ta collisions at 4.2A GeV/c taking into account the average number of participant nucleons of a projectile nucleus. In nucleus–nucleus collisions, the average values of partial inelasticity coefficients (〈K(π-)〉) of the negative pions did not depend on the mass numbers of projectile and target nuclei. Increase of 〈K(π - )〉 in going from p + 12 C to d, α, 12 C + 12 C collisions was due to an additional source of production of fast negative pions in nucleus–nucleus collisions — a charge exchange conversion of one or more neutrons of a projectile nucleus into a proton and π - . Linking the experimental results of the present analysis at intermediate energy with those obtained at high and ultra-high energies, it was concluded that the average values of partial inelasticity coefficients of pions in nucleon–nucleus and nucleus–nucleus collisions manifest a transitive behavior. At intermediate energies, the values of 〈K(π - )〉 were smaller by a factor of two and more as compared to those at high energies, and they increased further with increasing incident energy, reaching a plateau at E 0 > 100A GeV. (author)

12C(d,p) 13C reaction at Esub(d) = 30 MeV to the positive-parity states in 13C

International Nuclear Information System (INIS)

Ohnuma, H.; Hoshino, N.; Mikoshiba, O.

1985-07-01

The 12 C(d, p) 13 C reaction has been studied at Esub(d) = 30 MeV. All the known positive-parity states of 13 C below 10 MeV in excitation energy, including the 7/2 + and 9/2 + states, are observed in this reaction. The angular distributions for these positive-parity bound and unbound states are analyzed in CCBA frame work. The 13 C wave functions, which reproduce the resonant and non-resonant scattering of neutrons from 12 C, also give good accounts of the experimentally observed angular distributions and energy spectra of outgoing protons in the 12 C(d, p) 13 C reaction. In most cases the cross section magnitude and the angular distribution shape are primarily determined by the 0 + x j component, even if it is only a small fraction of the total wave function. An exception is the 7/2 + state, where the main contribution comes from the 2 + x dsub(5/2) component. The inclusion of the 4 + state in 12 C and the gsub(9/2) and gsub(7/2) neutron components in the n + 12 C system has very small effects on the low-spin states, but is indispensable for a good fit to the 7/2 + and 9/2 + angular distributions. The transitions to the negative-parity states, 1/2 1 - , 3/2 1 - , 5/2 - , 7/2 - and 1/2 3 - , are also observed experimentally, and analyzed by DWBA. (author)

The 12C+12C → 8Begs+16Ogs reaction at Ecm=27 to 36 MeV

International Nuclear Information System (INIS)

Aliotta, M.; Lattuada, M.; Spitaleri, C.

1996-01-01

The 12 C + 12 C → 8 Be gs + 16 O gs reaction has been experimentally investigated at c.m. energies between 27 and 36 MeV. A resonance is present at 32.5 MeV, i.e. at the same energy of the resonance previously observed [1] in the 12 C(0 + 2 ) + 12 C(0 + 2 ) exit channel, but its width is about three times narrower. Moreover the data indicate an enhancement of the cross section at a c.m. energy close to 29 MeV. These results are discussed and compared to the predictions of the Band Crossing Model obtained for different exit channels of the 12 C + 12 C reaction. (orig.)

Polycyclic aromatic hydrocarbon levels and risk assessment for food from service facilities in Korea.

Science.gov (United States)

Park, Shin-Woong; Jeong, Jun-Hyun; Her, Jae-Young; Kim, Mina K; Lee, Kwang-Geun

2017-06-01

In this study, levels of benzo[a]anthracene, chrysene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene (BaP), dibenzo[a,h]anthracene, benzo[g,h,i]perylene and indeno[1,2,3-c,d]pyrene in 412 food items collected from food service facilities in Korea were analysed. The concentrations of the eight polycyclic aromatic hydrocarbons (PAHs) ranged 0.13-0.48 μg/kg. The concentrations of benzo[a]pyrene in all food samples were foods regulated by European Union legislation. PAH contents were employed to conduct exposure and risk assessment. The chronic daily intake of PAHs from 412 food samples was 5.48 × 10 -6 -4.70 ×x 10 -4  µg-TEQ BaP /kg/day with margins of exposure of 1.04 × 10 9 -1.16 × 10 11 .

Effect of N,C-ITO on Composite N,C-Ti/N,C-ITO/ITO Electrode Used for Photoelectrochemical Degradation of Aqueous Pollutant with Simultaneous Hydrogen Production

Directory of Open Access Journals (Sweden)

Kee-Rong Wu

2012-01-01

Full Text Available This study reports the effect of N,C-ITO (indium tin oxide layer on composite N,C-TiO2/N,C-ITO/ITO (Ti/TO electrode used for efficient photoelectrocatalytic (PEC degradation of aqueous pollutant with simultaneous hydrogen production. The structural properties of the composite Ti/TO electrode that determined by X-ray diffraction and Raman scattering, show primarily the crystallized anatase TiO2 phase and distinct diffraction patterns of polycrystalline In2O3 phase. Under solar light illumination, the composite Ti/TO electrode yields simultaneously a hydrogen production rate of 12.0 μmol cm−2 h−1 and degradation rate constant of  cm−2 h−1 in organic pollutant. It implies that the overlaid N,C-TiO2 layer enhances not only the photocurrent response of the composite Ti/TO electrode at entire applied potentials, but also the flat band potential; a shift of about 0.1 V toward cathode, which is desperately beneficial in the PEC process. In light of the X-ray photoelectron spectroscopy findings, these results are attributable partly to the synergetic effect of N,C-codoping into the TiO2 and ITO lattices on their band gap narrowing and photosensitizing as well. Thus, the Ti/TO electrode can potentially serve an efficient PEC electrode for simultaneous pollutant degradation and hydrogen production.

The synthesis of no-carrier-added DL-4-[18F]fluorodeprenyl via the nucleophilic aromatic substitution reaction

International Nuclear Information System (INIS)

Plenevaux, Alain; Guillaume, Marcel

1991-01-01

No-carrier-added DL-α-methyl-β-4-[ 18 F]fluorophenyl-N-methyl-N-propynylethylamine (DL-4-[ 18 F]fluorodeprenyl) was synthesized via a 3-step procedure. The overall yield was 11%, the synthesis time was 90 min and the specific activity >0.57 Ci/μmol (end of synthesis). This synthesis approach, the conversion of an aromatic aldehyde to a homologous methyl ketone, extends the flexibility of the nucleophilic aromatic substitution reaction by applying it to the synthesis of radiotracers which do not bear electron-withdrawing activating groups on the aromatic ring. The tissue distribution of DL-4-[ 18 F]fluorodeprenyl in mice at 1, 10 and 50 min was also measured and showed that metabolic defluorination was not significant. Clearance or radioactivity from brain after injection of DL-4-[ 18 F]fluorodeprenyl was more rapid than that previously observed for [ 11 C]L-deprenyl. (author)

Angular correlation measurements for {sup 12}C{sup 12}C,{sup 12}C{sup 12}C 3{sup -} scattering

Energy Technology Data Exchange (ETDEWEB)

Wuosmaa, A.H.; Betts, R.R.; Freer, M.

1995-08-01

Previous studies of inelastic {sup 12}C + {sup 12}C scattering to a variety of final states identified significant resonance behavior in a number of different reaction channels. These resonances can be interpreted as either potential scattering resonances, or as population of cluster structures in the compound nucleus {sup 24}Mg, or as some interplay between the two mechanisms. Currently, for many of these resonances the situation remains unclear. One example is a large peak observed in the excitation function for the 3{sup -} - g.s. excitation, identified in previous work performed at the Daresbury Laboratory in England. This peak is observed at the same center-of-mass energy as one observed in the O{sub 2}{sup +}-O{sub 2}{sup +} inelastic scattering channel. That structure was suggested to correspond to exotic deformed configurations in the compound nucleus {sup 24}Mg. As the peak in the 3{sup -} + g.s. exit channel occurs at precisely the same energy as the purported resonance, it is tempting to associate the two. Before such an association can be confirmed or ruled out, further information must be obtained about the 3{sup -} + g.s. structure. In particular, it is important to determine the angular momenta that dominate the 3{sup -} + g.s. structure.

(Acetylacetonato-κ2O,O′bis[5-methoxy-2-(naphth[1,2-d][1,3]oxazol-2-ylphenyl-κ2C1,N]iridium(III

Directory of Open Access Journals (Sweden)

Yuan-Yuan Zhou

2011-10-01

Full Text Available In the title compound, [Ir(C18H12NO22(C5H7O2], the Ir atom is O,O′-chelated by the acetylacetonate group and C,N-chelated by the 2-arylnaphth[1,2-d]oxazole groups. The six-coordinate metal atom displays a distorted octahedral geometry. Intramolecular C—H...O hydrogen bonds occur. In the crystal, intermolecular C—H...O hydrogen bonds link the molecules into columns parallel to the b axis.

Dielectron production in 12C+12C collisions at 1 GeV per nucleon

International Nuclear Information System (INIS)

Pachmayer, Yvonne C.

2008-01-01

This thesis contains the experimental results on dielectron production in 12 C+ 12 C collisions at 1 GeV/u recorded with HADES. Within this work, the analysis is demonstrated, showing that leptons are efficiently reconstructed and hadrons very well discriminated. The described pair analysis shows that the combinatorial background is successfully reduced and the amount of true electron-positron pairs is not decreased. After subtracting the combinatorial background, the efficiency-corrected and normalized invariant-mass, transverse momentum and rapidity distributions of the dileptons are investigated. In the invariant-mass region 0.2-0.6 GeV/c 2 the measured pair yield shows a strong excess above the contribution expected from hadron decays after freeze-out according to predictions. Together with the results obtained in 12 C+ 12 C at 2 GeV/u it becomes evident that the overshoot of the data increases with decreasing beam energy. A detailed analysis shows that the beam energy dependence of the excess yield, i.e. the pair yield above the known eta contribution, integrated over the 0.15-0.5 GeV/c 2 mass range, scales like pion production. (orig.)

Radiosynthesis of [11C]D.P.A.-713, [11C]D.P.A.-715 and [11C]clinme, selected carbon-11-labelled novel potential radioligands for imaging the peripheral benzodiazepine receptors with PET

International Nuclear Information System (INIS)

Dolle, F.; Thominiaux, C.; Hinnen, F.; Demphel, S.; Le helleix, S.; Chauveau, F.; Boutin, H.; Herard, A.S.; Hantraye, P.; Tavitian, B.; Kassiou, M.; James, M.; Creelman, A.; Fulton, R.; Kassiou, M.; Katsifis, A.; Greguric, I.; Mattner, F.; Loch, C.; Selleri, S.

2008-01-01

11 C P.K.11195 is not only the oldest, but also the most widely used PET radiotracer for in vivo imaging of the peripheral benzodiazepine receptors (P.B.R. or translocator protein (18 kDa, T.S.P.O.). With the aim of developing a new PET imaging probe for the in vivo study of the P.B.R., two pyrazol [1,5-a]pyrimidineacetamides (D.P.A.-713 and D.P.A.-715) and one imidazol[1,2-a]pyridine-acetamide (C.L.I.N.M.E.) were radiolabelled with the positron emitters carbon 11 (half life: 20.38 min) [1-5]. Briefly, C.L.I.N.M.E. (2-[6-chloro-2(4-iodophenyl)-imidazol[1,2-a]pyridin-3-yl] -N-ethyl-N-methyl-acetamide) was labelled at its methyl-acetamide moity chain from the corresponding nor-analogue using[ 11 C]methyl iodide (in D.M.S.O./D.M.F (100/200 μL) containing powdered K.O.H. (3-5 mg) at 110 degrees C for 3 min. D.P.A.-713 (N,N-diethyl-2-[2-(4-methoxy-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin -3-yl]acetamide) and D.P.A.-715 (N,N-diethyl-2-[2-(4-methoxy-phenyl)-5,7-bis-tri-fluoro-methyl-pyrazolo [1,5-a]pyrimidin-3-yl]acetamide) were labelled at their aromatic methoxy groups from the corresponding nor-derivatives using [ 11 C]methyl triflate (in acetone (300μL) containing aq. 3 M NaOH (4μL) at 110 degrees C for 1 min). All radioligands were purified using semi preparative Zorbax reverse phase H.P.L.C., were adequately formulated for in vivo injection within 30 min and were found to be > 95% chemically and radiochemically pure. (N.C.)

Reassessment of the C-13/C-12 and C-14/C-12 isotopic fractionation ratio and its impact on high-precision radiocarbon dating

NARCIS (Netherlands)

Fahrni, Simon M.; Southon, John R.; Santos, Guaciara M.; Palstra, Sanne W. L.; Meijer, Harro A. J.; Xu, Xiaomei

2017-01-01

The vast majority of radiocarbon measurement results (C-14/C-12 isotopic ratios or sample activities) are corrected for isotopic fractionation processes (measured as C-13/C-12 isotopic ratios) that occur in nature, in sample preparation and measurement. In 1954 Harmon Craig suggested a value of 2.0

Preparation of H3PW12O40/MCM-48 and its photocatalytic degradation of pesticides.

Science.gov (United States)

Liu, Xia; Li, Yan-zhou; Gan, Qiang; Feng, Chang-gen

2014-08-01

A composite catalyst H3PW12O40/MCM-48 was prepared by loading photocatalyst phosphotungstic acid H3PW12O40 (HPW) to molecular sieve MCM-48 by impregnation method, and its structure was characterized by Fourier transform infrared (FT-IR) spectra, small angle X-ray diffraction (XRD) patterns, nitrogen adsorption analysis and High-resolution transmission electron microscopy (HRTEM) analysis. Photocatalytic degradation activities of HPW/MCM-48 against pesticides imidacloprid and paraquat were evaluated under UV radiation (365 nm). The results show that HPW/MCM-48 maintains the mesoprous molecular sieve structure of MCM-48 and the Keggin structure of HPW, while the BET surface area is 793.35 m2 x g(-1), pore volume is 1.46 cm3 x g(-1), average pore diameter is 2.76 nm, suggesting loading HPW on MCM-48 is a considerable way to improve its surface area. After 14 h UV irradiation (365 nm), 57.38% imidacloprid and 63.79% paraquat were degraded by 20 mg HPW/MCM-48 catalyst, while HPW and blank group degraded the two pesticides at the degradation rate of about 25% and 5%, respectively. Implying loading on MCM-48 could greaterly improve the degradation activity of HPW. The reslut of degradation kinetics show that, the degradation process of HPW/MCM-48 fits first order kinetics equation. The rate constant Ka of HPW/MCM-48 toward imidacloprid and paraquat are 0.089 h and 0.117 h, with the half-life t(1/2) of 7.8 h and 5.9 h, respectively.

C59N+ and C69N+: isoelectronic heteroanalogues of C60 and C70

International Nuclear Information System (INIS)

Lamparth, I.; Nuber, B.; Schick, G.; Skiebe, A.; Groesser, T.; Hirsch, A.

1995-01-01

Fragmentation reactions in the mass spectrometer were used to generate the first characterized nitrogen heterofullerene ions C 59 N + and C 69 N + from regioselectively synthesized oligoiminofullerenes. During this process one carbon atom in the fullerene core is removed and replaced with a nitrogen atom. C 59 N + has almost the same structure as the isoelectronic C 60 . (orig.)

Solid state CP/MAS 13C n.m.r. analysis of particle size and density fractions of soil incubated with uniformly labelled 13C-glucose

International Nuclear Information System (INIS)

Baldock, J.A.; Oades, J.M.

1990-01-01

A soil incubated for 34 days in the absence (control) and presence (treated) of uniformly labelled 13 C-glucose was dispersed using an ultrasonic probe and fractionated by sedimentation in water and a polytungstate solution of density 2.0 Mg m -3 . Solid state CP/MAS 13 C n.m.r. (cross polarization/magic angle spinning 13 C nuclear magnetic resonance) spectroscopy was used to characterize the chemical structure of the native soil organic carbon and the residual substrate carbon in the fractions of the control and treated soils. To obtain quantitative results it was essential to determine the spin lattice relaxation time in a rotating frame of the individual carbon types in the spectra as the relaxation behaviour of the native organic material in the clay fraction was different from that of the residual substrate carbon. The residual substrate carbon was found to accumulate in predominantly alkyl and O-alkyl structures in both fractions. However, significant amounts of acetal and carboxyl carbon were also observed in the clay fraction. Little if any aromatic or phenolic carbon was synthesized by the soil microorganisms utilizing substrate carbon. Dipolar dephasing CP/MAS 13 C n.m.r. experiments were also performed and allowed the proportion of each type of carbon which was protonated and nonprotonated to be estimated. Essentially all of the O-alkyl and acetal carbon, 25-40% of the aromatic carbon and 66-80% of the alkyl carbon was protonated in the fractions isolated from the treated soil. 24 refs., 4 figs., 2 tabs

High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

KAUST Repository

González-Gaya, Belén

2016-05-16

Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

Soft decoding a self-dual (48, 24; 12) code

Science.gov (United States)

Solomon, G.

1993-01-01

A self-dual (48,24;12) code comes from restricting a binary cyclic (63,18;36) code to a 6 x 7 matrix, adding an eighth all-zero column, and then adjoining six dimensions to this extended 6 x 8 matrix. These six dimensions are generated by linear combinations of row permutations of a 6 x 8 matrix of weight 12, whose sums of rows and columns add to one. A soft decoding using these properties and approximating maximum likelihood is presented here. This is preliminary to a possible soft decoding of the box (72,36;15) code that promises a 7.7-dB theoretical coding under maximum likelihood.

Is 4C+29.48 a γ-ray source?

Science.gov (United States)

Gabányi, K. É.; Frey, S.; An, T.

2018-05-01

Context. The Fermi Large Area Telescope revealed that the extragalactic γ-ray sky is dominated by blazars, active galactic nuclei (AGN) whose jet is seen at very small angle to the line of sight. To associate and then classify the γ-ray sources, data have been collected from lower frequency surveys and observations. Since those have superior angular resolution and positional accuracy compared to the γ-ray observations, some associations are not straightforward. Aims: The γ-ray source 3FGL J1323.0+2942 is associated with the radio source 4C+29.48 and classified as a blazar of unknown type, lacking optical spectrum and redshift. The higher-resolution radio data showed that 4C+29.48 comprises three bright radio-emitting features located within a 1'-diameter area. We aim to reveal their nature and pinpoint the origin of the γ-ray emission. Methods: We (re-)analyzed archival Very Large Array (VLA) and unpublished very long baseline interferometry (VLBI) observations conducted by the Very Long Baseline Array (VLBA) and the European VLBI Network of 4C+29.48. We also collected data form optical, infrared and X-ray surveys. Results: According to the VLBI data, the northernmost complex of 4C+29.48 contains a blazar with a high brightness temperature compact core and a steep-spectrum jet feature. The blazar is positionally coincident with an optical source at a redshift of 1.142. Its mid-infrared colors also support its association with a γ-ray emitting blazar. The two other radio complexes have steep radio spectra similar to AGN-related lobes and do not have optical or infrared counterparts in currently available surveys. Based on the radio morphology, they are unlikely to be related to the blazar. There is an optical source between the two radio features, also detected in infrared wavebands. We discuss the possibilities whether the two radio features are lobes of a radio galaxy, or gravitationally lensed images of a background source. Conclusions: We propose to

Conformational exchange of aromatic side chains characterized by L-optimized TROSY-selected ¹³C CPMG relaxation dispersion.

Science.gov (United States)

Weininger, Ulrich; Respondek, Michal; Akke, Mikael

2012-09-01

Protein dynamics on the millisecond time scale commonly reflect conformational transitions between distinct functional states. NMR relaxation dispersion experiments have provided important insights into biologically relevant dynamics with site-specific resolution, primarily targeting the protein backbone and methyl-bearing side chains. Aromatic side chains represent attractive probes of protein dynamics because they are over-represented in protein binding interfaces, play critical roles in enzyme catalysis, and form an important part of the core. Here we introduce a method to characterize millisecond conformational exchange of aromatic side chains in selectively (13)C labeled proteins by means of longitudinal- and transverse-relaxation optimized CPMG relaxation dispersion. By monitoring (13)C relaxation in a spin-state selective manner, significant sensitivity enhancement can be achieved in terms of both signal intensity and the relative exchange contribution to transverse relaxation. Further signal enhancement results from optimizing the longitudinal relaxation recovery of the covalently attached (1)H spins. We validated the L-TROSY-CPMG experiment by measuring fast folding-unfolding kinetics of the small protein CspB under native conditions. The determined unfolding rate matches perfectly with previous results from stopped-flow kinetics. The CPMG-derived chemical shift differences between the folded and unfolded states are in excellent agreement with those obtained by urea-dependent chemical shift analysis. The present method enables characterization of conformational exchange involving aromatic side chains and should serve as a valuable complement to methods developed for other types of protein side chains.

48 CFR 52.216-12 - Cost-Sharing Contract-No Fee.

Science.gov (United States)

2010-10-01

....216-12 Cost-Sharing Contract—No Fee. As prescribed in 16.307(f), insert the following clause in... nonprofit organization. Cost-Sharing Contract—No Fee (APR 1984) (a) The Government shall not pay to the... 48 Federal Acquisition Regulations System 2 2010-10-01 2010-10-01 false Cost-Sharing Contract-No...

Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures >100 °C using COSMO-RS

DEFF Research Database (Denmark)

Andersson, Martin Peter; Eckert, F.; Reinisch, J.

2017-01-01

As a contribution to the 9th Industrial Fluid Property Simulation Challenge on predicting interfacial tension between water and a set of non-polar oils at temperatures up to 170 °C we have used our first-principles based model, which is based on density functional theory and uses COSMO-RS implicit...... solvent model thermodynamics. Our calculations predict that the oil-water interfacial tension starts to drop significantly for alkanes at temperatures above ∼100 °C, and the oil-water interfacial tension drops significantly with increased temperature already above ∼25 °C for aromatic oils. In the range...

Elastic scattering of {sup 12} C by {sup 12} C at intermediate energies

Energy Technology Data Exchange (ETDEWEB)

Khallaf, S A.E. [Department of Physics, Faculty of Science, Assiut University, Assiut, (Egypt); Abdel-Rahman, M A; Abdel-Raheem, S K; Mahmoud, S W.Z. [Department of Physics, Faculty of Science, El-Minia University, El-Minia, (Egypt)

1997-12-31

Using the double folding model (DF), the real part of the central potential for {sup 12} C + {sup 12} C system is derived. This potential as well as the single folding cluster model potential (SFC) were used to calculate the total and differential cross sections for {sup 12} C elastically scattered on {sup 12} C at three laboratory energies; E{sub 1ab}. = 300, 344.5 and 360 MeV. The calculations were carried out using five sets of nucleon nucleon (NN) interaction of the integrable Gaussian form and two sets of parameters for the nuclear matter density of the harmonic oscillator form. The transparency of the target nucleus was found to increase as the projectile energy increases. Good fits between the present calculations and the experimental data as well as the previously published calculations were obtained. The present simple methods used to calculate the real part of the optical potential stand on equal footing with the density dependent (DDM 3 Y) procedure and it reduces the potential computing time enormously. The suitable choice of NN interaction as well as nuclear matter densities is important. 24 figs., 3 tabs.

Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

Science.gov (United States)

Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

2015-11-01

The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming tape structures.

The Beckman-Quarles theorem for continuous mappings from R^n to C^n

OpenAIRE

Tyszka, Apoloniusz

2002-01-01

Let \\phi((x_1,...,x_n),(y_1,...,y_n))=(x_1-y_1)^2+...+(x_n-y_n)^2. We say that f:R^n -> C^n preserves distance d>=0 if for each x,y \\in R^n \\phi(x,y)=d^2 implies \\phi(f(x),f(y))=d^2. We prove that if x,y \\in R^n (n>=3) and |x-y|=(\\sqrt{2+2/n})^k \\cdot (2/n)^l (k,l are non-negative integers) then there exists a finite set {x,y} \\subseteq S(x,y) \\subseteq R^n such that each unit-distance preserving mapping from S(x,y) to C^n preserves the distance between x and y. It implies that each continuou...

Potentiometric titrations of para and nitro substituted aromatic acids and their mixtures in methylethyl ketone

International Nuclear Information System (INIS)

Ozeroglu, C.; Karahan, M.

2011-01-01

In this study, it was the purpose to examine the potentiometric titrations of para and nitro substituted aromatic acids in methylethyl ketone (MEK) as a non-aqueous solvent. Good analytical results were obtained in determining the amount of each acid and the amounts of acids in their ternary mixtures by using 0.0964 N tetrabuthylammoniumhydroxyde (TBAH) as a standard titrant. Methylethyl ketone (MEK) which is a good solvent for many organic compounds and has a convenient liquid range of -86 to 80 deg. C was used for titration of the para and nitro substituted aromatic acids. A linear relationship has been found between pKa values of the para and nitro substituted aromatic acids in water and the half neutralization potential (HNP) values determined by potentiometric titration curves of the same acids in MEK. (author)

Irradiated aromatic polysulphones of increased flow resistance and molecular weight

International Nuclear Information System (INIS)

Staniland, P.A.; Jarrett, W.G.

1976-01-01

Aromatic polymers of increased resistance to flow and molecular weight are obtained by irradiation using β-rays or γ-rays at temperatures up to 400 0 C of an aromatic polymer whose molecular chains comprise benzenoid groups and bivalent linking groups, and where irradiation is γ-rays by heating subsequent to irradiation at 200 to 400 0 C

Standard Molar Enthalpy of Formation of RE(C5H8NS2)3(C12H8N2)

Institute of Scientific and Technical Information of China (English)

Meng Xiangxin; Shuai Qi; Chen Sanping; Xie Gang; Gao Shengli; Shi Qizhen

2005-01-01

Four solid ternary complexes of RE (C5H8NS2)3(C12H8N2) (RE=Eu, Gd, Tb, Dy) were synthesized in absolute ethanol by rare earth chloride low hydrate with the mixed ligands of ammonium pyrrolidinedi-thiocarbamate (APDC) and 1, 10-phenanthroline*H2O (o-phen*H2O) in the ordinary laboratory atmosphere without any cautions against moisture or air sensitivity. IR spectra of the complexes show that the RE3+ coordinated with six sulfur atoms of three PDC- and two nitrogen atoms of o-phen*H2O. It was assumed that the coordination number of RE3+ is eight. The constant-volume combustion energies of the complexes, ΔcU, were determined as (-16937.88±9.79 ), (-17588.79±8.62 ), (-17747.14±8.25 ) and (-17840.37±8.87 ) kJ*mol-1, by a precise rotating-bomb calorimeter at 298.15 K. Its standard molar enthalpies of combustion, ΔcHθm, and standard molar enthalpies of formation, ΔfHθm, were calculated as (-16953.37±9.79), (-17604.28±8.62), (-17762.63±8.25), (-17855.86±8.87) kJ*mol-1 and (-857.04±10.52), (-282.43±9.58), (-130.08±9.13), (-55.75±9.83) kJ*mol-1.

Magnetic ionic liquids as non-conventional extraction solvents for the determination of polycyclic aromatic hydrocarbons.

Science.gov (United States)

Trujillo-Rodríguez, María J; Nacham, Omprakash; Clark, Kevin D; Pino, Verónica; Anderson, Jared L; Ayala, Juan H; Afonso, Ana M

2016-08-31

This work describes the applicability of magnetic ionic liquids (MILs) in the analytical determination of a group of heavy polycyclic aromatic hydrocarbons. Three different MILs, namely, benzyltrioctylammonium bromotrichloroferrate (III) (MIL A), methoxybenzyltrioctylammonium bromotrichloroferrate (III) (MIL B), and 1,12-di(3-benzylbenzimidazolium) dodecane bis[(trifluoromethyl)sulfonyl)]imide bromotrichloroferrate (III) (MIL C), were designed to exhibit hydrophobic properties, and their performance examined in a microextraction method for hydrophobic analytes. The magnet-assisted approach with these MILs was performed in combination with high performance liquid chromatography and fluorescence detection. The study of the extraction performance showed that MIL A was the most suitable solvent for the extraction of polycyclic aromatic hydrocarbons and under optimum conditions the fast extraction step required ∼20 μL of MIL A for 10 mL of aqueous sample, 24 mmol L(-1) NaOH, high ionic strength content of NaCl (25% (w/v)), 500 μL of acetone as dispersive solvent, and 5 min of vortex. The desorption step required the aid of an external magnetic field with a strong NdFeB magnet (the separation requires few seconds), two back-extraction steps for polycyclic aromatic hydrocarbons retained in the MIL droplet with n-hexane, evaporation and reconstitution with acetonitrile. The overall method presented limits of detection down to 5 ng L(-1), relative recoveries ranging from 91.5 to 119%, and inter-day reproducibility values (expressed as relative standard derivation) lower than 16.4% for a spiked level of 0.4 μg L(-1) (n = 9). The method was also applied for the analysis of real samples, including tap water, wastewater, and tea infusion. Copyright © 2016 Elsevier B.V. All rights reserved.

Deviation of the typical AAA substrate-threading pore prevents fatal protein degradation in yeast Cdc48.

Science.gov (United States)

Esaki, Masatoshi; Islam, Md Tanvir; Tani, Naoki; Ogura, Teru

2017-07-14

Yeast Cdc48 is a well-conserved, essential chaperone of ATPases associated with diverse cellular activity (AAA) proteins, which recognizes substrate proteins and modulates their conformations to carry out many cellular processes. However, the fundamental mechanisms underlying the diverse pivotal roles of Cdc48 remain unknown. Almost all AAA proteins form a ring-shaped structure with a conserved aromatic amino acid residue that is essential for proper function. The threading mechanism hypothesis suggests that this residue guides the intrusion of substrate proteins into a narrow pore of the AAA ring, thereby becoming unfolded. By contrast, the aromatic residue in one of the two AAA rings of Cdc48 has been eliminated through evolution. Here, we show that artificial retrieval of this aromatic residue in Cdc48 is lethal, and essential features to support the threading mechanism are required to exhibit the lethal phenotype. In particular, genetic and biochemical analyses of the Cdc48 lethal mutant strongly suggested that when in complex with the 20S proteasome, essential proteins are abnormally forced to thread through the Cdc48 pore to become degraded, which was not detected in wild-type Cdc48. Thus, the widely applicable threading model is less effective for wild-type Cdc48; rather, Cdc48 might function predominantly through an as-yet-undetermined mechanism.

Location of the major 2Psub(1/2) strength in 49Sc by forward angle heavy-ion j dependence

International Nuclear Information System (INIS)

Kemper, K.W.; Zeller, A.F.; Ophel, T.R.

1977-12-01

Foward angle 48 Ca( 7 Li, 6 He) data show the 4.49 MeV state in 49 Sc to be 2Psub(1/2) and not 2Psub(3/2) as reported in an earlier 48 Ca( 15 N, 14 C) work. The ( 3 He,d) spectroscopic factor of 0.55 indicates that this state has the major components of the 2psub(1/2) strength in 49 Sc. (Author)

The 12C + 12C: 1. Decay into high spin states of 23Mg, and 23Na. 2. Hauser-Feshbach analysis of the reaction mechanism

International Nuclear Information System (INIS)

Denhoefer, G.

1980-01-01

In this thesis different aspects of the reaction 12 C + 12 C were studied. The first part deals with high spin states in the mirror nucki 23 Na and 23 Mg experially with the states resonantly populated at Esub(cm) = 19.3 MeV. For the state at 9.80 MeV in 23 Na with (p,γ) angular correlation measurements a spin of 17/2 + and by Doppler form analysis a lifetime of (21 +- 9)fs was found. The probably analogous state at 9.61 MeV in 23 Mg decays both under p-emission to 22 Na and under γ-emission. Because of the p-decay probabilities to 3 + and 4 + of 22 Na, which were observed in (p,n) coincidence measurements, it has also the spin 17/2 + . In the second part of this thesis it was studied whether the reaction 12 C + 12 C at incident energies between 26 MeV and 42 MeV can be described using the statistical model. (orig./HSI) [de

Dicty_cDB: CHR636 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available p 8. 48 0.50 1 CO165293 |CO165293.1 FLD1_53_C12.g1_A029 Root flooded Pinus taeda cDNA clone FLD1_53_C12_A029... 5', mRNA sequence. 46 2.0 1 CO165215 |CO165215.1 FLD1_53_C12.b1_A029 Root floode

Manufacture of aromatic hydrocarbons from coal hydrogenation products

Energy Technology Data Exchange (ETDEWEB)

A.S. Maloletnev; M.A. Gyul' malieva [Institute for Fossil Fuels, Moscow (Russian Federation)

2007-08-15

The manufacture of aromatic hydrocarbons from coal distillates was experimentally studied. A flow chart for the production of benzene, ethylbenzene, toluene, and xylenes was designed, which comprised the hydrogen treatment of the total wide-cut (or preliminarily dephenolized) fraction with FBP 425{sup o}C; fractional distillation of the hydrotreated products into IBP-60, 60-180, 180-300, and 300-425{sup o}C fractions; the hydro-cracking of middle fractions for increasing the yield of gasoline fractions whenever necessary; the catalytic reform of the fractions with bp up to 180{sup o}C; and the extraction of aromatic hydrocarbons.

Synthesis of [2-13C, 2-14C] 2-aminoethanol, [1-13C, 1-14C] 2-chloroethylamine, N,N'-bis([1-13C, 1-14C] 2-chloroethyl)-N-nitrosourea(BCNU) and N-([1-13C, 1-14C] 2-chloroethyl)-N-nitrosourea(CNU)

International Nuclear Information System (INIS)

Narayan, R.; Chang, C-j.

1982-01-01

[2- 13 C, 2- 14 C]2-Aminoethanol hydrochloride was prepared in good yield from Na*CN in a two step sequence by first converting the Na*CN to OHCH 2 *CN and then reducing the nitrile directly with a solution of borane-tetrahydrofuran complex. The reaction procedure was simple and the pure product could be obtained readily. Using this specifically labelled precursor, the synthesis of [1- 13 C, 1- 14 C]2-chloroethylamine hydrochloride, N-([1- 13 C, 1- 14 C]2-chloroethyl)-N-nitrosourea(CNU) and N,N'-bis([1- 13 C, 1- 14 C]2-chloroethyl)-N-nitrosourea(BCNU) in good yield without isotope scrambling was also reported. (author)

{sup 15}N and {sup 13}C- SOFAST-HMQC editing enhances 3D-NOESY sensitivity in highly deuterated, selectively [{sup 1}H,{sup 13}C]-labeled proteins

Energy Technology Data Exchange (ETDEWEB)

Rossi, Paolo, E-mail: rossip@umn.edu; Xia, Youlin; Khanra, Nandish; Veglia, Gianluigi, E-mail: vegli001@umn.edu; Kalodimos, Charalampos G., E-mail: ckalodim@umn.edu [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States)

2016-12-15

The ongoing NMR method development effort strives for high quality multidimensional data with reduced collection time. Here, we apply ‘SOFAST-HMQC’ to frequency editing in 3D NOESY experiments and demonstrate the sensitivity benefits using highly deuterated and {sup 15}N, methyl labeled samples in H{sub 2}O. The experiments benefit from a combination of selective T{sub 1} relaxation (or L-optimized effect), from Ernst angle optimization and, in certain types of experiments, from using the mixing time for both NOE buildup and magnetization recovery. This effect enhances sensitivity by up to 2.4× at fast pulsing versus reference HMQC sequences of same overall length and water suppression characteristics. Representative experiments designed to address interesting protein NMR challenges are detailed. Editing capabilities are exploited with heteronuclear {sup 15}N,{sup 13}C-edited, or with diagonal-free {sup 13}C aromatic/methyl-resolved 3D-SOFAST-HMQC–NOESY–HMQC. The latter experiment is used here to elucidate the methyl-aromatic NOE network in the hydrophobic core of the 19 kDa FliT-FliJ flagellar protein complex. Incorporation of fast pulsing to reference experiments such as 3D-NOESY–HMQC boosts digital resolution, simplifies the process of NOE assignment and helps to automate protein structure determination.

Efficient one-pot, four-component synthesis of N,N-dibenzyl-N-{1-[5-(3-aryl-1,3,4-oxadiazol-2-yl]cyclobutyl}amine derivatives from the reaction of (isocyanoiminotriphenylphosphorane, dibenzylamine, an aromatic carboxylic acid and cyclobutanone

Directory of Open Access Journals (Sweden)

Shajari Nahid

2012-01-01

Full Text Available Four-component reaction of cyclobutanone, dibenzylamine and (Nisocyanimino triphenylphosphorane in the presence of aromatic carboxylic acids proceed smoothly at room temperature and under neutral conditions to afford N,N-dibenzyl-N-{1-[5-(3-aryl-1,3,4-oxadiazol-2-yl]cyclobutyl}amine derivatives in high yields.

Radiosynthesis of [{sup 11}C]D.P.A.-713, [{sup 11}C]D.P.A.-715 and [{sup 11}C]clinme, selected carbon-11-labelled novel potential radioligands for imaging the peripheral benzodiazepine receptors with PET

Energy Technology Data Exchange (ETDEWEB)

Dolle, F.; Thominiaux, C.; Hinnen, F.; Demphel, S.; Le helleix, S.; Chauveau, F.; Boutin, H.; Herard, A.S.; Hantraye, P.; Tavitian, B. [Service Hospitalier Frederic Joliot, I2BM/DSV, 91 - Orsay (France); Kassiou, M.; James, M.; Creelman, A.; Fulton, R. [Sydney Univ., Brain and Mind Research Institute, NSW (Australia); Kassiou, M. [Sydney Univ., Discipline of Medical Radiations, Sciences and School of Chemistry, NSW (Australia); Katsifis, A.; Greguric, I.; Mattner, F.; Loch, C. [Radiopharmaceuticals Research Institute, ANSTO, NSW (Australia); Selleri, S. [Degli Studi di Firenze Univ., Dipt. di Scienze Farmaceutiche (Italy)

2008-02-15

{sup 11}C P.K.11195 is not only the oldest, but also the most widely used PET radiotracer for in vivo imaging of the peripheral benzodiazepine receptors (P.B.R. or translocator protein (18 kDa, T.S.P.O.). With the aim of developing a new PET imaging probe for the in vivo study of the P.B.R., two pyrazol [1,5-a]pyrimidineacetamides (D.P.A.-713 and D.P.A.-715) and one imidazol[1,2-a]pyridine-acetamide (C.L.I.N.M.E.) were radiolabelled with the positron emitters carbon{sup 11} (half life: 20.38 min) [1-5]. Briefly, C.L.I.N.M.E. (2-[6-chloro-2(4-iodophenyl)-imidazol[1,2-a]pyridin-3-yl] -N-ethyl-N-methyl-acetamide) was labelled at its methyl-acetamide moity chain from the corresponding nor-analogue using[{sup 11}C]methyl iodide (in D.M.S.O./D.M.F (100/200 {mu}L) containing powdered K.O.H. (3-5 mg) at 110 degrees C for 3 min. D.P.A.-713 (N,N-diethyl-2-[2-(4-methoxy-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin -3-yl]acetamide) and D.P.A.-715 (N,N-diethyl-2-[2-(4-methoxy-phenyl)-5,7-bis-tri-fluoro-methyl-pyrazolo [1,5-a]pyrimidin-3-yl]acetamide) were labelled at their aromatic methoxy groups from the corresponding nor-derivatives using [{sup 11}C]methyl triflate (in acetone (300{mu}L) containing aq. 3 M NaOH (4{mu}L) at 110 degrees C for 1 min). All radioligands were purified using semi preparative Zorbax reverse phase H.P.L.C., were adequately formulated for in vivo injection within 30 min and were found to be > 95% chemically and radiochemically pure. (N.C.)

Epitelización inducida por células troncales derivadas del tejido adiposo

Directory of Open Access Journals (Sweden)

M. Meruane

2014-06-01

Full Text Available El tratamiento de lesiones con pérdida de tejido cutáneo ha mejorado notablemente con el advenimiento de la bioingeniería tisular. Una alternativa en desarrollo es la utilización de sustitutos dérmicos combinados con células troncales derivadas del tejido adiposo autólogo. Estudios previos nos muestran que con esta técnica es posible optimizar la angiogénesis y la síntesis de colágeno, sin embargo potenciar la epitelización es un tema pendiente por resolver. En el presente estudio evaluamos la progresión y diferenciación epitelial en un período de tiempo prologando. Obtuvimos las células troncales a partir del tejido adiposo (ASC de la región inguinal de 4 ratas Sprague Dawley. Cultivamos las células frescas en una matriz de Integra® durante un período total de 48 horas, y las marcamos con un vector lentiviral-GFP (proteína fluorescente verde. Posteriormente, injertamos en las mismas ratas la matriz dérmica con células troncales y un implante contralateral sin células, como control. A las 4 semanas, evaluamos el avance epitelial mediante planimetría de superficie e histología. Los resultados macroscópicos muestran que el cierre de la herida por contracción de los bordes no tiene diferencias significativas (82,63% ± 3,4% vs. 80,66% ± 3,89%; p=0,08, pero el cierre por epitelización fue significativamente mayor en el lado intervenido con ASCs (93,47% ± 5,98% vs. 79,88% ± 6,28%; p=0,0028. Todas las muestras obtuvieron tinción positiva para el anticuerpo anti-citoqueratina 34βE12 y el avance epitelial lineal cuantificado por microscopía resultó significativamente mayor en el lado con ASCs (6408 ± 275μm vs. 5375 ± 250μm; p < 0,001. Identificamos las células GFP positivas formando parte de la dermis regenerada, no así en la epidermis. En conclusión, las células troncales derivadas del tejido adiposo autólogo sembradas en una matriz de Integra® aumentan la formación epitelial significativamente

Angular correlation, spin alignment, and systematics of mis-matched {sup 12}C+{sup 12}C inelastic scattering resonances

Energy Technology Data Exchange (ETDEWEB)

Wuosmaa, A.H.; Wiedenhoever, I.; Caggiano, J.; Carpenter, M.P.; Devlin, M.; Heinz, A.; Janssens, R.V.F.; Kondev, F.; Lauritsen, T.; Sarantites, D.G.; Sobotka, L.G.; Battacharyya, P

2003-10-09

Particle gamma-ray angular correlation measurements have been used to study the spin alignment and magnetic-substate population parameters for the 2{sup +}{sub 1} (4.443 MeV) state in {sup 12}C, populated in the {sup 12}C({sup 12}C,{sup 12}C[0{sup +}{sub 2}]){sup 12}C(2{sup +}{sub 1}) inelastic scattering reaction in the vicinity of a prominent, narrow peak in the scattering excitation function. The data show a strong alignment of the spin with the orbital angular momentum, and suggest that the cross section peak corresponds to a spin 14{sup +} resonance at E{sub c.m.}=28.0 MeV. This energy is close to that where a strong peak is also observed in the 0{sup +}{sub 1}+0{sup +}{sub 2} excitation function. A comparison between the data for these two channels lends some support to recent theoretical calculations of resonance behavior for angular-momentum-mismatched channels in {sup 12}C+{sup 12}C inelastic scattering.

The measurement of neutron differential scattering cross sections for 12C, 14N and 16O in the energy range 20-26 Mev

International Nuclear Information System (INIS)

Petler, J.S.; Finlay, R.W.; Meigooni, A.S.; Islam, M.S.; Rapaport, J.

1985-01-01

The Ohio University Beam Swinger provides a high resolution, low back-ground time-of-flight facility for the measurement of elastic and inelastic neutron scattering. It has been used to obtain a comprehensive set of differential scattering cross sections for 12 C, 14 N, 16 O and 40 Ca between 18 and 26 MeV. The elastic cross sections can be used directly to obtain partial kerma factors and, combined with the known total cross sections, provide accurate values for the reaction cross sections. Angular distributions have been measured for inelastic scattering from all the nuclear levels that cannot decay by particle emission thus providing (by subtraction) a limit on the sum of all charged-particle producing reactions. The integrated cross sections for inelastic scattering from some particle-unstable states in 12 C are in excellent agreement with the cross sections for three-body breakup obtained by Antolkovic et al. The differential data have been used, together with higher energy proton scattering data to produce energy-dependent optical model parameters for each of these nuclei in the energy range 20-60 MeV. It has been found that the elastic differential cross sections at theta > 100 0 for 12 C, 14 N and 16 O cannot be well described by a spherical optical model. Explicit consideration of coupled-channel effects, and in the case of 12 C, deformation of the ground state, improves the agreement between calculation and experiment. Heavy ion recoil kerma factors and reaction cross sections have been obtained for each element and compared with previous calculations and measurements

Magnetic moment of {sup 48}Sc

Energy Technology Data Exchange (ETDEWEB)

Ohtsubo, T., E-mail: tohtsubo@np.gs.niigata-u.ac.jp; Kawamura, Y.; Ohya, S. [Niigata University, Department of Physics (Japan); Izumikawa, T. [Niigata University, Radioisotope Center (Japan); Nishimura, K. [Toyama University, Faculty of Engineering (Japan); Muto, S. [Neutron Science Laboratory, KEK (Japan); Shinozuka, T. [Tohoku University, Cyclotron and Radioisotope Center (Japan)

2007-11-15

Nuclear magnetic resonances were measured for {sup 48}Sc and {sup 44m}Sc oriented at 8 mK in an Fe host metal. The magnetic hyperfine splitting frequencies at an external magnetic field of 0.2 T were determined to be 63.22(11) MHz and 64.81(1) MHz for {sup 48}Sc and {sup 44m}Sc, respectively. With the known magnetic moment of {mu}({sup 44m}Sc)=+3.88 (1) {mu}{sub N}, the magnetic moment of {sup 48}Sc is deduced as {mu}({sup 44}Sc)=+3.785(12) {mu}{sub N}. The measured magnetic moment of {sup 48}Sc is discussed in terms of the shell model using the effective interactions.

Correlations and adsorption mechanisms of aromatic compounds on biochars produced from various biomass at 700 °C.

Science.gov (United States)

Yang, Kun; Jiang, Yuan; Yang, Jingjing; Lin, Daohui

2018-02-01

Knowledge of adsorption behavior of organic contaminants on high heat temperature treated biochars is essential for application of biochars as adsorbents in wastewater treatment and soil remediation. In this study, isotherms of 25 aromatic compounds adsorption on biochars pyrolyzed at 700 °C from biomass including wood chips, rice straw, bamboo chips, cellulose, lignin and chitin were investigated to establish correlations between adsorption behavior and physicochemical properties of biochars. Isotherms were well fitted by Polanyi theory-based Dubinin-Ashtakhov (DA) model with three parameters, i.e., adsorption capacity (Q 0 ) and adsorption affinity (E and b). Besides the negative correlation of Q 0 with molecular maximum cross-sectional areas (σ) of organic compounds, positive correlations of Q 0 with total pore volume (V total ) and average diameter of micropore (D) of biochars were observed, indicating that adsorption by biochars is captured by the pore-filling mechanism with molecular sieving effect in biochar pores. Linear solvation energy relationships (LSERs) of adsorption affinity (E) with solvatochromic parameters of organic compounds (i. e., α m and π ∗ ) were established, suggesting that hydrophobic effect, π-π interaction and hydrogen-bonding interaction are the main forces responsible for adsorption. The regression coefficient (π 1 ) and intercept (C) of obtained LSERs are correlated with biochar H/C and R micro , respectively, implying that biochars with higher aromaticity and more micropores have stronger π-π bonding potential and hydrophobic effect potential with aromatic molecule, respectively. However, hydrogen-bonding potential of biochars for organic molecules is not changed significantly with properties of biochars. A negative correlation of b with biochar H/C is also obtained. These correlations could be used to predict the adsorption behavior of organic compounds on high heat temperature treated biochars from various biomass for

K/sup -/n and K/sup -/p elastic scattering in K/sup -/d collisions from 12 to 22 GeV/c

CERN Document Server

Déclais, Y; Bricman, C; Duchon, J; Ferro-Luzzi, M; Louvel, M; Patry, J P; Perreau, J M; Séguinot, Jacques; Ypsilantis, Thomas

1977-01-01

The elastic scattering of negative K-mesons on the proton and on the neutron of the deuterium has been measured at six incident momenta equally spaced between 1.2 and 2.2 GeV/c. Differential cross sections over the almost complete angular range have been obtained for K/sup - /p and K/sup -/n. The aim of the experiment was the measurement of the pure isospin I=1 reaction K/sup -/n to K/sup -/n. The results for the reaction on proton are a by-product and provide a verification of the assumptions necessary for the analysis of the neutron reaction.

26 CFR 1.48-12 - Qualified rehabilitated building; expenditures incurred after December 31, 1981.

Science.gov (United States)

2010-04-01

..., DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Rules for Computing Credit for Investment in Certain Depreciable Property § 1.48-12 Qualified rehabilitated building; expenditures incurred after December 31, 1981... section 48(g) and this section) is section 38 property. Property that is section 38 property by reason of...

Predictive simulation of the solvent extraction of aromatics from middle distillates

Energy Technology Data Exchange (ETDEWEB)

Rahman, M.

1983-03-01

This work describes a predictive method for calculating liquid-liquid aromatics extracton from a middle distillate. Group contribution models of the ASOG and UNIFAC type are investigated. Four vapor-liquid equilibria (VLE) on the binary of naphthalene - n-dodecane, naphthalene - n-tetradecane, phenanthrene - n-hexadecane and transdecaline - benzene and two solid-liquid equilibria (SLE) on the binary of naphthalene - n-hexadecane and phenanthrene - n-hexadecane were measured. Dimethylformamide (DMF) was chosen as an extracting solvent. Three liquid-liquid equilibria (LLE) on the binary of DMF with n-hexadecane, n-tetradecane or trans + cis decaline and six ternary LLE on the mixture of DMF - n-hexadecane with octyl benzene, tetralin, 1 methyl naphthalene, phenanthrene or benzothiophene and on the mixture of decaline - DMF with benzothiophene were also measured. The parameters of the models are based mainly on the data for the systems composed by hydrocarbons with a 10-20 carbon number. The data for VLE, SLE and the infinite dilution activity coefficient (17-245/sup 0/C) were used to calculate interaction parameters between hydrocarbon groups, and LLE data (20-80/sup 0/C) for interaction parameters of dimethylformamide - hydrocarbon groups. The validity of the models for predicting the LLE of DMF - hydrocarbon multicomponent mixture (8 components) was verified. Middle distillate representation is based on mass spectrometric and gas chromatographic analysis and on limited data on middle distillate - DMF LLE. Two models for middle-distillate representation were investigated. It is shown that the performance of ASOG and UNIFAC are sufficiently valid for representing of basic data and for the predicting the solvent extraction of aromatics from middle distillates. The method investigated can be useful for the rapid preliminary study of extraction processes.

Design a 10 kJ IS Mather Type Plasma Focus for Solid Target Activation to Produce Short-Lived Radioisotopes 12C(d,n)13N

Science.gov (United States)

Sadat Kiai, S. M.; Adlparvar, S.; Sheibani, S.; Elahi, M.; Safarien, A.; Farhangi, S.; Zirak, A. R.; Alhooie, S.; Mortazavi, B. N.; Khalaj, M. M.; Khanchi, A. R.; Dabirzadeh, A. A.; Kashani, A.; Zahedi, F.

2010-10-01

A 10 kJ (15 kV, 88 μF) IS (Iranian Sun) Mather type plasma focus device has been studied to determine the activity of a compound exogenous carbon solid target through 12C(d,n)13N nuclear reaction. The produced 13N is a short-lived radioisotope with a half-life of 9.97 min and threshold energy of 0.28 MeV. The results indicate that energetic deuterons impinging on the solid target can produce yield of = 6.7 × 10-5 with an activity of A = 6.8 × 104 Bq for one plasma focus shut and A ν = 4 × 105 Bq for 6 shut per mint when the projectile maximum deuterons energy is E max = 3 MeV.

Non-destructive testing of proteins in single seeds using the 14N(d,p)15N and 14N(d,∝)12C reactions

International Nuclear Information System (INIS)

Moreno B, E.

1986-01-01

A non-destructive nuclear technique aimed for the analysis of proteins in single seeds using the 14 N(d,p) 15 N and 14 N(d,∝) 12 C reactions is implemented. This work was performed at the ININ's Tandem Van der Graaff facility, using a 6 MeV deuteron beam and a surface barrier solid state detector with its associated electronics for the pulse height analysis of the charged particles backscattered from the samples. Well defined populations of five varieties of wheat, and four of corn were used as samples in order to optimize the experimental conditions for the analysis, these results were compared with those obtained using an analytical chemical method (Kjeldahl). The linear regression coefficient (''r'') obtained from the results of these two methods was: r = 0.9 in the case of wheat, and r = 0.7 in the case of corn, which we consider adequate figures for using the non-destructive nuclear technique as an aid or support in agricultural seed protein improvement programs. In adequate geometrical conditions the analysis per seed can take a few seconds, and the exposure to the germ can be as low as ≅1 Rad. (author)

Sub-coulombian fusion of 12 C + 12 C measured with the γ rays improved technique

International Nuclear Information System (INIS)

Rosales M, P.

2005-01-01

In this work we report the measurements carried out in the National Institute of Nuclear Research of Mexico (ININ) for the absolute section of fusion of the system 12 C + 12 C in an interval of energy of E c.m. 4.5-6.5 MeV with fine steps of 75 keV. The objective of measuring in fine steps is to register all the existent resonances. To be able to obtain an absolute normalization of the cross section, it was applied a method that allows to measure simultaneously the one number of projectiles that arrive to the target, as well as the numbers of nuclei in the target, even when this doesn't stay constant. In the chapter 2 the experimental procedure it is described, it is carried out with detail the analysis of the data and the results are shown. Later on the chapter 3 it is described with detail the method used for the absolute normalization, that is to say the form of obtaining the quantities N p and η T of the equation is explained and the obtained results are presented. Additionally in the chapter 4 it was carried out a theoretical analysis applying models as that of barrier penetration and the optical model combined with the Breit-Wigner theory with the purpose of being able to reproduce the resonances of the excitation function. In the chapter 5 the concept of S-Astrophysicist factor it is introduced and this value is calculated for our data. Finally in the chapter 6 the conclusions of this work are presented. (Author)

catena-Poly[[[diaquabis(selenocyanato-κNiron(II]-μ-1,2-bis(pyridin-4-ylethane-κ2N:N′] 1,2-bis(pyridin-4-ylethane disolvate dihydrate

Directory of Open Access Journals (Sweden)

Susanne Wöhlert

2013-06-01

Full Text Available The title compound, {[Fe(NCSe2(C12H12N2(H2O2]·2C12H12N2·2H2O}n, was obtained by the reaction of iron(II sulfate heptahydrate and potassium selenocyanate with 1,2-bis(pyridin-4-ylethane (bpa in water. The FeII cation is coordinated by two N-bonded selenocyanate anions, two water molecules and two 1,2-bis(pyridin-4-ylethane (bpa ligands in a slightly distorted octahedral geometry. In addition, two non-coordinating bpa molecules and two water molecules are present. The FeII cation is located on a center of inversion while the coordinating bpa ligand is located on a twofold rotation axis. The FeII cations are linked by the bpa ligands into chains along the b-axis direction, which are further connected into layers perpedicular to the c axis by O—H...N and O—H...O hydrogen bonds to the non-coordinating bpa and the water molecules. The crystal studied was twinned by pseudo-merohedry (180° rotation along c*; contribution of the minor twin component 3.7%.

Skeletal muscle munc18c and syntaxin 4 in human obesity

Directory of Open Access Journals (Sweden)

Bessesen Daniel H

2008-07-01

Full Text Available Abstract Background Animal and cell culture data suggest a critical role for Munc18c and Syntaxin 4 proteins in insulin mediated glucose transport in skeletal muscle, but no studies have been published in humans. Methods We investigated the effect of a 12 vs. 48 hr fast on insulin action and skeletal muscle Munc18c and Syntaxin 4 protein in lean and obese subjects. Healthy lean (n = 14; age = 28.0 +/- 1.4 yr; BMI = 22.8 +/- 0.42 kg/m2 and obese subjects (n = 11; age = 34.6 +/- 2.3 yr; BMI = 36.1 +/- 1.5 kg/m2 were studied twice following a 12 and 48 hr fast. Skeletal muscle biopsies were obtained before a 3 hr 40 mU/m2/min hyperinsulinemic-euglycemic clamp with [6,6-2H2]glucose infusion. Results Glucose rate of disappearance (Rd during the clamp was lower in obese vs. lean subjects after the 12 hr fast (obese: 6.25 +/- 0.67 vs. lean: 9.42 +/- 1.1 mg/kgFFM/min, p = 0.007, and decreased significantly in both groups after the 48 hr fast (obese 3.49 +/- 0.31 vs. lean: 3.91 +/- 0.42 mg/kgFFM/min, p = 0.002. Munc18c content was not significantly different between lean and obese subjects after the 12 hour fast, and decreased after the 48 hr fast in both groups (p = 0.013. Syntaxin 4 content was not altered by obesity or fasting duration. There was a strong positive relationship between plasma glucose concentration and Munc18c content in lean and obese subjects during both 12 and 48 hr fasts (R2 = 0.447, p = 0.0015. Significant negative relationships were also found between Munc18c and FFA (p = 0.041, beta-hydroxybutyrate (p = 0.039, and skeletal muscle AKT content (p = 0.035 in lean and obese subjects. Conclusion These data indicate Munc18c and Syntaxin 4 are present in human skeletal muscle. Munc18c content was not significantly different between lean and obese subjects, and is therefore unlikely to explain obesity-induced insulin resistance. Munc18c content decreased after prolonged fasting in lean and obese subjects concurrently with reduced insulin

Dicty_cDB: Contig-U01136-1 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available 48 0.12 1 ( FK745334 ) av02089f15r1.1 Symbiotic sea anemone (Anemonia vi... 48 0....12 1 ( FK739054 ) av02117m13r1.1 Symbiotic sea anemone (Anemonia vi... 48 0.12 1 ( AW483267 ) 52212 MARC 2P...02F010925 AZO3 Triticum aestivum cDNA cl... 44 1.8 1 ( FK759151 ) av01045m14r1.1 Symbiotic sea anemone (Anem

Asymmetric Baylis-Hillman Reaction between Chiral Activated Alkenes and Aromatic Aldehydes in Me3N/H2O/Solvent Medium

Institute of Scientific and Technical Information of China (English)

Ke HE; Zheng Hong ZHOU; Hong Ying TANG; Guo Feng ZHAO; Chu Chi TANG

2005-01-01

Chiral activated alkene, L-menthyl acrylate and (+)-N-α-phenylethyl acrylamide,induced asymmetric Baylis-Hillman reaction of aromatic aldehydes was realized at 25℃ for 7 days in Me3N/H2O/solvent homogeneous medium. The corresponding Baylis-Hillman adducts were obtained in good chemical yield with moderate to excellent diastereoselectivity (up to 99% de).

Photocatalytic decomposition of N2O over TiO2/g-C3N4 photocatalysts heterojunction

Science.gov (United States)

Kočí, K.; Reli, M.; Troppová, I.; Šihor, M.; Kupková, J.; Kustrowski, P.; Praus, P.

2017-02-01

TiO2/g-C3N4 photocatalysts with the various TiO2/g-C3N4 weight ratios from 1:2 to 1:6 were fabricated by mechanical mixing in water suspension followed by calcination. Pure TiO2 was prepared by thermal hydrolysis and pure g-C3N4 was prepared from commercial melamine by thermal annealing at 620 °C. All the nanocomposites were characterized by X-ray powder diffraction, UV-vis diffuse reflectance spectroscopy, Raman spectroscopy, infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, photoelectrochemical measurements and nitrogen physisorption. The prepared mixtures along with pure TiO2 and g-C3N4 were tested for the photocatalytic decomposition of nitrous oxide under UVC (λ = 254 nm), UVA (λ = 365 nm) and Vis (λ > 400 nm) irradiation. The TiO2/g-C3N4 nanocomposites showed moderate improvement compared to pure g-C3N4 but pure TiO2 proved to be a better photocatalyst under UVC irradiation. However, under UVA irradiation conditions, the photocatalytic activity of TiO2/g-C3N4 (1:2) nanocomposite exhibited an increase compared to pure TiO2. Nevertheless, further increase of g-C3N4 amount leads/led to a decrease in reactivity. These results are suggesting the nanocomposite with the optimal weight ratio of TiO2 and g-C3N4 have shifted absorption edge energy towards longer wavelengths and decreased the recombination rate of charge carriers compared to pure g-C3N4. This is probably due to the generation of heterojunction on the TiO2/g-C3N4 interface.

Adsorbed States of phosphonate derivatives of N-heterocyclic aromatic compounds, imidazole, thiazole, and pyridine on colloidal silver: comparison with a silver electrode.

Science.gov (United States)

Podstawka, Edyta; Olszewski, Tomasz K; Boduszek, Bogdan; Proniewicz, Leonard M

2009-09-03

Here, we report a systematic surface-enhanced Raman spectroscopy (SERS) study of the structures of phosphonate derivatives of the N-heterocyclic aromatic compounds imidazole (ImMeP ([hydroxy(1H-imidazol-5-yl)methyl]phosphonic acid) and (ImMe)(2)P (bis[hydroxy-(1H-imidazol-4-yl)-methyl]phosphinic acid)), thiazole (BAThMeP (butylaminothiazol-2-yl-methyl)phosphonic acid) and BzAThMeP (benzylaminothiazol-2-yl-methyl)phosphonic acid)), and pyridine ((PyMe)(2)P (bis[(hydroxypyridin-3-yl-methyl)]phosphinic acid)) adsorbed on nanometer-sized colloidal particles. We compared these structures to those on a roughened silver electrode surface to determine the relationship between the adsorption strength and the geometry. For example, we showed that all of these biomolecules interact with the colloidal surface through aromatic rings. However, for BzAThMeP, a preferential interaction between the benzene ring and the colloidal silver surface is observed more so than that between the thiazole ring and this substrate. The PC(OH)C fragment does not take part in the adsorption process, and the phosphonate moiety of ImMeP and (ImMe)(2)P, being removed from the surface, only assists in this process.

Resonance states in 16O+16O, 12C+16O, α+ 16O and α+ 12C with ...

Indian Academy of Sciences (India)

The resonance states in 16O + 16O, 12C + 16O, + 16O and + 12C are described using modified Morse potential proposed earlier whose success has already been demon-strated in the case of 12C + 12C system. The general validity of such a potential with long range, shallow depth and repulsive soft core determined ...

Estimating heats of detonation and detonation velocities of aromatic energetic compounds

Energy Technology Data Exchange (ETDEWEB)

Keshavarz, Mohammad Hossein [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, P. O. Box 83145/115 (Iran)

2008-12-15

A new method is introduced to predict reliable estimation of heats of detonation of aromatic energetic compounds. At first step, this procedure assumes that the heat of detonation of an explosive compound of composition C{sub a}H{sub b}N{sub c}O{sub d} can be approximated as the difference between the heat of formation of all H{sub 2}O-CO{sub 2} arbitrary (H{sub 2}O, CO{sub 2}, N{sub 2}) detonation products and that of the explosive, divided by the formula weight of the explosive. Overestimated results based on (H{sub 2}O-CO{sub 2} arbitrary) can be corrected in the next step. Predicted heats of detonation of pure energetic compounds with the product H{sub 2}O in the liquid state for 31 aromatic energetic compounds have a root mean square (rms) deviation of 2.08 and 0.34 kJ g{sup -1} from experiment for (H{sub 2}O-CO{sub 2} arbitrary) and new method, respectively. The new method also gives good results as compared to the second sets of decomposition products, which consider H{sub 2},N{sub 2}, H{sub 2}O,CO, and CO{sub 2} as major gaseous products. It is shown here how the predicted heats of detonation by the new method can be used to obtain reliable estimation of detonation velocity over a wide range of loading densities. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

One-Step Synthesis of Cu–ZnO@C from a 1D Complex [Cu0.02Zn0.98(C8H3NO6(C12H8N2]n for Catalytic Hydroxylation of Benzene to Phenol

Directory of Open Access Journals (Sweden)

Guanghui Wang

2018-05-01

Full Text Available A novel one-dimensional bimetallic complex [Cu0.02Zn0.98(C8H3NO6(C12H8N2]n (“Complex” has been synthesized by a hydrothermal method. A Cu–ZnO@C composite was obtained by a one-step pyrolysis of Complex. Correlated with the characterization results, it is confirmed that both metallic Cu0 and ZnO nanoparticles were highly dispersed on/in the carbon substrate. This simple one-step pyrolysis method avoids the high-temperature pretreatment under H2 commonly required for preparation of such Cu–ZnO catalysts. The Cu–ZnO@C composite was tested with respect to its catalytic activities for the hydroxylation of benzene to phenol with H2O2. The results indicate that the benzene conversion, phenol yield, and phenol selectivity reached the maximum values (55.7%, 32%, and 57.5%, respectively at Complex carbonized at 600 °C, and were higher than those of the commercial mixed sample. Compared with the other candidate catalysts, the turnover frequency (TOF of our Cu–ZnO@C catalyst (117.9 mmol mol−1 s−1 can be ranked at the top. The higher catalytic activities should be due to the highly dispersed metallic Cu0 and ZnO particles as well as their synergistic interaction.

Tiroiditis autoinmune inducida por interferón en pacientes con infección por virus de la hepatitis C. Interferon-induced autoimmune thyroiditis in a patient with hepatitis C virus infection

Directory of Open Access Journals (Sweden)

José L. Pinto

2011-06-01

Full Text Available Se reporta el caso de un varón de 43 años de edad, sin antecedentes patológicos de importancia, que acudió por elevación asintomática de la alanino aminotransferasa (ALT. El paciente negó ser bebedor crónico de alcohol. Se hizo el diagnóstico serológico de infección activa por hepatitis C y la biopsia de hígado reveló inflamación crónica activa. Con estos resultados, se inició tratamiento con interferón-alfa y ribavirina. Durante el tratamiento de 48 semanas, el paciente presentó anticuerpos antitiroideos positivos con variaciones en sus niveles de tirotropina (TSH y hormonas tiroideas. En el seguimiento postratamiento, el paciente continuó con hipertiroidismo por enfermedad de Graves. La tiroiditis autoinmune es una complicación frecuente del uso de interferón en pacientes con hepatitis C. En algunos casos se presenta como hipertiroidismo por enfermedad de Graves. Se debe evaluar la función tiroidea y los anticuerpos antitiroideos antes y durante el tratamiento con interferón.A 43 year old man presented with asymptomatic elevation of alanine aminotransferase (ALT and no relevant past history. The patient denied being a chronic alcohol drinker. Work-up revealed an active hepatitis C, and liver biopsy showed active inflammation. Treatment was started with interferon-alfa and ribavirin. During the 48 weeks of treatment, the patient developed positive thyroid antibodies with varying level of thyrotropin (TSH and thyroid hormones. At follow-up after treatment, the patient continued with hyperthyroidism due to Graves’ disease. Autoimmune thyroiditis is a common complication of using interferon in patients with hepatitis C. In some cases, it is presented as hyperthyroidism because of Graves’ disease. Thyroid function and thyroid antibodies should be evaluated before and during treatment with interferon.

Structure and thermodynamic properties of (C5H12N)CuBr3: a new weakly coupled antiferromagnetic spin-1/2 chain complex lying in the 1D-3D dimensional cross-over regime.

Science.gov (United States)

Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan

2014-04-07

Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed.

Sulphur and oxygen sequestration of n-C 37 and n-C 38 unsaturated ketones in an immature kerogen and the release of their carbon skeletons during early stages of thermal maturation

Science.gov (United States)

Koopmans, Martin P.; Schaeffer-Reiss, Christine; de Leeuw, Jan W.; Lewan, Michael D.; Maxwell, James R.; Schaeffer, Philippe; Sinninghe Damsté, Jaap S.

1997-06-01

Sedimentary rock from the Gessoso-solfifera Formation (Messinian) in the Vena del Gesso Basin (northern Italy) containing immature ( Ro = 0.25%) S-rich organic matter was artificially matured by hydrous pyrolysis at temperatures from 160 to 330°C for 72 h to study the diagenetic fate of n-C 37 and n-C 38 di- and tri-unsaturated methyl and ethyl ketones (alkenones) biosynthesised by several prymnesiophyte algae. During early diagenesis, the alkenones are incorporated into the kerogen by both sulphur and oxygen cross-linking as indicated by chemical degradation experiments with the kerogen of the unheated sample. Heating at temperatures between 160 and 260°C, which still represents early stages of thermal maturation, produces large amounts (up to 1 mg/g TOC) of S-bound, O-bound, and both S- and O-bound n-C 37 and n-C 38 skeletons, saturated n-C 37 and n-C38 methyl, ethyl, and mid-chain ketones, C 37 and C 38 mid-chain 2,5-di- n-alkylthiophenes, C 37 and C 38 1,2-di- n-alkylbenzenes, and C 37 and C 38n-alkanes. With increasing thermal maturation, three forms of the n-C 37 and n-C 38 skeletons are relatively stable (saturated hydrocarbons, 1,2-di- n-alkylbenzenes and saturated ketones), whereas the S- and O-bound skeletons are relatively labile. These results suggest that in natural situations saturated ketones with an n-C 37 and n-C 38 skeleton can be expected as well as the corresponding hydrocarbons.

Sulphur and oxygen sequestration of n-C37 and n-C38 unsaturated ketones in an immature kerogen and the release of their carbon skeletons during early stages of thermal maturation

Science.gov (United States)

Koopmans, M.P.; Schaeffer-Reiss, C.; De Leeuw, J. W.; Lewan, M.D.; Maxwell, J.R.; Schaeffer, P.; Sinninghe, Damste J.S.

1997-01-01

Sedimentary rock from the Gessoso-solfifera Formation (Messinian) in the Vena del Gesso Basin (northern Italy) containing immature (Ro = 0.25%) S-rich organic matter was artificially matured by hydrous pyrolysis at temperatures from 160 to 330??C for 72 h to study the diagenetic fate of n-C37 and n-C38 di-and tri-unsaturated methyl and ethyl ketones (alkenones) biosynthesised by several prymnesiophyte algae. During early diagenesis, the alkenones are incorporated into the kerogen by both sulphur and oxygen cross-linking as indicated by chemical degradation experiments with the kerogen of the unheated sample. Heating at temperatures between 160 and 260??C, which still represents early stages of thermal maturation, produces large amounts (up to 1 mg/g TOC) of S-bound, O-bound, and both S-and O-bound n-C37 and n-C38 skeletons, saturated n-C37 and n-C38 methyl, ethyl, and mid-chain ketones, C37 and C38 mid-chain 2,5-di-n-alkylthiophenes, C37 and C38 1,2-di-n-alkylbenzenes, and C37 and C38 n-alkanes. With increasing thermal maturation, three forms of the n-C37 and n-C38 skeletons are relatively stable (saturated hydrocarbons, 1,2-di-n-alkylbenzenes and saturated ketones), whereas the S-and O-bound skeletons are relatively labile. These results suggest that in natural situations saturated ketones with an n-C37 and n-C38 skeleton can be expected as well as the corresponding hydrocarbons. Copyright ?? 1997 Elsevier Science Ltd.

Caracterización de la macrofauna edáfica en sistemas de producción intensiva de césped

Directory of Open Access Journals (Sweden)

Wendy Ramírez

Full Text Available Se realizó una investigación con el objetivo de evaluar el comportamiento de la macrofauna edáfica en áreas de la finca de producción intensiva de césped, en la Estación Experimental de Pastos y Forrajes Indio Hatuey. Se evaluaron tres sistemas, con diferentes años de explotación y tres réplicas por sistema: S1: suelos con diez años o más de explotación intensiva; S2: suelos con cuatro años de explotación; y S3: suelos de condición estándar o de referencia, en los que se establecerán las parcelas para la producción intensiva de césped. En sentido general, la composición taxonómica de la macrofauna edáfica fue similar en los sistemas evaluados, y existieron diferencias en cuanto a la diversidad y equitatividad de los órdenes. Los sistemas más perturbados (S1 y S2 fueron los de menor diversidad taxonómica, con cinco unidades taxonómicas (ut, debido al monocultivo continuado de gramíneas cespitosas. Los órdenes de mayor representación en el S1 fueron Coleoptera (38,63 % y Haplotaxida (31,81 %; en el S2, Coleoptera (52,63 % y Haplotaxida (28,94 %; y en el S3, Haplotaxida (34,48 % y Lepidoptera (12,93 %. Estos resultados evidencian el potencial de la macrofauna edáfica como indicador de la calidad del suelo, y su sensibilidad ante las perturbaciones causadas por la intensidad en el uso y manejo del suelo.